#DEFINITION	Reference Metabolome for Coriandrum sativum
#IDENTTFIER	RefMeta-Coriandrum sativum.R1
#FORMAT	msr
#VERSION	1.0/R1
#KEYWORDS	RefMeta
#ORGANISM	Coriandrum sativum
#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 Coriandrum sativum 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	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.2885
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	1.0
55.05499	5.8
55.45366	1.0
55.71441	0.9
57.07064	6.2
57.53006	0.8
59.04980	1.3
67.05494	6.3
69.07051	10.3
70.06582	0.8
71.04987	2.0
71.08616	3.3
72.08129	3.0
73.02901	1.5
79.05479	2.9
81.07040	8.5
83.08592	3.2
89.06020	7.8
91.05469	3.0
91.61530	0.8
93.07021	6.8
95.08595	9.1
97.10151	1.7
105.06997	3.8
106.98365	0.8
107.08571	4.7
109.06497	7.4
109.10133	3.8
111.08037	1.2
119.08585	5.1
121.10105	3.2
123.08044	51.9
123.11687	3.0
124.08354	1.2
125.09621	1.0
133.08542	1.7
133.10098	3.2
135.08017	3.3
135.11646	1.6
137.09573	4.2
137.13100	1.0
147.11681	2.4
149.09576	1.6
149.13205	3.2
151.09625	7.6
159.11652	1.3
161.13193	1.7
167.14352	1.0
179.14261	15.6
195.12247	2.0
211.61375	0.8
251.04672	1.4
275.19928	1.7
289.21976	1.0
307.22620	5.8
327.46893	0.9
331.26190	3.9
363.28833	100.0
364.29172	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.3099
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43922	3.1
55.01866	4.5
55.05498	15.4
57.07069	5.5
59.04998	3.5
59.20952	3.4
67.05479	22.8
69.03439	4.7
69.07063	46.8
70.06576	9.6
70.93067	8.5
71.04977	4.8
71.08617	4.9
79.05493	15.6
81.07049	100.0
83.08624	20.4
83.09035	3.7
84.04495	5.6
84.08141	9.8
85.02911	5.7
85.06543	12.4
86.09690	7.5
91.05458	6.0
91.62653	3.3
93.07030	32.1
95.08037	5.8
95.08595	55.5
97.06523	10.1
97.10178	4.8
97.51081	3.3
99.08089	6.1
105.07026	23.7
107.08588	36.6
109.10146	41.3
111.08073	9.5
111.11710	8.4
118.77258	3.0
119.08581	11.9
120.08115	5.9
121.10126	20.0
123.11691	29.7
125.09605	4.3
135.11681	18.1
137.13260	20.7
145.10091	6.1
147.11674	13.4
149.13226	23.4
153.12732	15.6
155.14270	6.2
157.10133	3.9
161.13261	4.7
165.12726	10.6
165.16350	4.3
167.06915	4.6
171.13733	5.6
175.14850	4.7
177.16360	6.4
191.17924	4.9
231.35655	3.5
273.25735	9.3
279.26974	5.9
291.26752	29.3
302.17474	8.0
309.27786	19.5
327.28845	9.2
337.83136	3.5
371.42130	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	363.2732
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	16.7
57.03430	4.9
57.07054	8.6
67.05505	22.5
69.03423	3.5
69.07069	28.2
70.06567	3.5
71.62364	3.9
71.85082	2.7
72.08126	3.2
79.05461	11.0
80.13987	2.5
81.03412	3.2
81.07043	25.4
83.08605	18.6
84.08158	3.9
86.06093	2.8
86.09702	3.2
88.74949	2.7
91.05476	6.2
91.34190	2.6
93.07038	13.1
95.08591	26.4
97.06493	5.8
97.10165	13.7
99.08052	2.9
105.07009	8.0
107.08563	7.4
109.06488	3.1
109.10128	11.9
111.08067	3.5
111.11693	4.3
117.06984	3.0
118.06540	22.1
119.08559	7.2
121.10140	13.9
123.08051	5.1
123.11652	5.1
125.09621	3.0
130.04961	2.7
132.47858	2.7
133.10097	8.6
135.11641	7.3
137.09537	4.5
137.13208	3.5
144.08041	9.8
146.05994	49.8
147.11636	6.4
149.94679	2.6
150.96924	2.8
161.13228	5.0
170.06010	3.0
176.14325	100.0
177.14673	5.5
188.07030	29.8
189.07431	3.8
217.19467	8.4
234.14876	3.8
235.20558	8.8
253.21620	8.7
259.19241	3.0
309.24222	3.8
327.25262	64.6
328.25552	2.9
345.26376	4.4
357.72586	2.7
363.16501	4.3
363.20667	33.4
364.20914	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	363.1644
Annotation	5-Deoxylamiol
Peak:m/z	Relative Intensity
50.90339	1.0
53.03932	2.7
55.01864	1.2
55.05493	1.3
61.55772	0.9
62.10167	1.0
67.05492	21.3
69.03419	3.1
69.07075	2.1
69.30595	1.0
69.44630	2.1
69.45038	7.1
70.06563	1.9
71.04963	1.2
71.76196	1.0
79.05492	3.3
81.03407	22.0
81.07042	16.0
85.02882	1.7
91.05453	1.7
93.07024	3.4
95.04935	3.2
95.08595	11.3
97.06516	1.1
99.04455	3.3
99.08084	1.9
105.07024	1.2
107.08606	2.3
109.02860	22.7
109.03578	1.8
109.06477	1.2
109.10140	62.6
110.10454	1.9
119.08559	4.2
121.10136	2.6
121.43176	1.0
125.05983	7.1
127.03926	2.5
137.09595	100.0
138.09938	2.0
145.05022	1.2
155.10651	27.0
165.09091	50.2
166.09409	1.2
183.10144	14.6
201.11183	35.5
262.20517	1.1
291.12143	1.1
309.13153	4.9
327.14368	27.3
345.11435	1.4
345.15173	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	363.194
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	2.6
55.53750	1.4
57.06776	3.1
57.07063	58.8
57.47032	1.5
58.07373	1.6
61.01135	4.8
61.75925	1.5
61.76244	1.4
65.03946	1.7
67.05478	6.5
69.03416	2.8
69.07047	3.8
69.52774	9.5
69.53198	2.8
70.06580	4.3
72.04503	12.2
72.08159	2.6
78.03780	7.5
80.62157	1.6
81.03390	1.7
81.07043	4.1
84.04496	2.4
84.08116	3.4
85.06530	17.6
86.09689	21.9
91.05453	3.7
93.06995	4.3
95.04940	2.7
95.08572	6.1
97.06506	2.5
102.03748	10.5
102.09135	1.6
104.08704	1.4
105.06966	2.0
107.08558	2.9
110.07149	3.1
112.07568	1.5
114.03738	6.1
114.09145	7.3
119.08554	2.1
123.08063	3.1
123.11652	1.6
124.07552	1.4
130.08577	2.3
131.06375	4.5
131.08516	2.5
132.04781	14.4
133.10069	3.1
142.08575	3.6
145.10060	2.6
147.08034	1.6
149.07411	25.3
151.07478	1.7
156.10175	83.4
157.10431	2.7
159.05865	5.1
184.09750	4.2
187.11119	1.6
199.14737	1.6
215.12244	1.8
233.13153	100.0
234.13332	3.4
248.61961	1.6
261.12686	8.1
322.27878	1.6
345.18362	45.2
346.18741	3.1
363.21622	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	363.1643
Annotation	5-Deoxylamiol
Peak:m/z	Relative Intensity
52.38727	1.0
53.03929	1.8
55.01856	2.6
55.05496	4.2
56.05009	2.4
57.03423	1.5
59.66115	0.8
60.02133	0.9
60.04515	2.6
61.01118	0.9
66.25691	0.8
67.05165	1.3
67.05499	23.2
69.03405	5.5
69.07046	2.3
70.06583	11.3
71.04980	2.7
71.06940	0.9
71.62630	1.3
72.08138	6.0
74.06068	1.7
79.05470	3.5
81.03408	22.8
81.07050	18.3
83.04964	1.1
84.04478	1.7
84.08123	6.7
85.02885	4.3
86.09695	9.9
87.10030	2.4
88.03960	1.1
91.05469	4.6
93.07050	4.5
95.04958	3.9
95.08596	11.3
97.02856	1.0
97.06508	1.6
99.04444	4.4
99.08100	1.3
105.06999	1.6
107.04921	1.6
107.08575	2.3
109.02120	1.1
109.02866	24.0
109.06474	2.3
109.10145	74.6
110.07142	2.3
110.10490	2.3
113.05979	1.3
115.03859	1.0
116.07084	3.6
118.58852	0.8
119.08548	3.2
120.08108	4.3
121.08369	1.3
121.10132	2.9
125.05975	8.3
127.03899	3.9
129.10217	2.8
130.04958	0.8
134.06004	1.2
137.05984	6.2
137.09599	100.0
138.09949	2.6
139.07396	0.8
145.04860	1.1
147.04402	1.0
155.10652	30.2
155.11880	2.0
165.09091	54.6
166.09480	1.4
167.07133	1.2
173.05930	1.4
180.06522	2.4
183.10130	14.3
185.12984	0.8
185.16595	1.9
186.03133	1.0
186.16824	2.2
194.04466	1.0
200.04657	1.0
201.05464	3.7
201.11192	36.3
203.03391	1.5
209.45396	0.9
213.16051	1.1
214.16463	1.8
215.07092	2.0
219.12209	1.5
226.02562	1.1
228.06503	1.1
232.03542	1.6
233.09357	1.0
235.35039	0.9
239.08133	1.1
241.05022	4.3
247.06001	3.1
256.09604	4.1
282.09732	1.2
301.07104	1.4
303.09525	0.9
309.08618	1.1
309.13312	3.4
317.11276	1.6
327.10046	2.1
327.14301	26.7
328.14664	1.1
345.10760	3.2
345.15353	8.9
363.06815	4.2
363.11603	3.6
363.15668	1.3
364.06979	1.1
364.11713	1.3
377.57297	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.3409
Annotation	Pipnoohine
Peak:m/z	Relative Intensity
57.07023	0.1
69.07021	0.1
70.24968	0.3
70.25378	0.3
92.38673	0.1
103.45061	0.1
106.06524	1.6
107.07313	2.7
107.08440	0.1
120.08080	4.6
121.08916	0.6
122.36864	0.1
134.09665	1.0
148.11214	0.2
150.09056	0.4
162.12735	0.7
164.10652	0.2
176.14253	0.4
190.15816	0.2
192.17485	0.1
204.17383	0.3
205.18307	0.2
206.19002	0.6
218.18973	1.4
219.19653	0.1
220.20569	0.9
232.20576	1.6
246.22116	0.4
248.23886	0.2
260.23666	0.2
262.21704	0.1
276.23129	0.3
318.31485	28.0
319.31854	1.9
344.33139	0.3
361.79169	0.1
362.34097	100.0
363.34436	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	362.2892
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	1.1
55.05500	11.2
57.07065	3.8
67.05492	11.5
68.05032	1.1
69.03404	0.9
69.07059	10.0
70.06582	2.5
70.59773	2.8
71.04980	23.6
71.08616	6.1
72.08136	1.2
73.02900	2.6
75.00498	0.7
79.05466	3.6
80.78313	0.8
81.07044	13.6
83.08602	10.7
84.04506	2.8
84.08126	1.3
85.02907	0.8
85.06509	1.1
86.02406	1.6
86.09697	1.1
88.03970	10.1
88.07619	2.3
89.14549	0.8
91.05477	2.3
93.07030	5.0
95.04934	0.8
95.08575	7.7
96.07188	0.8
97.06519	1.5
97.10146	10.6
99.08087	3.1
100.03968	4.0
102.05528	4.4
105.07013	1.9
107.08573	4.0
109.10136	4.8
111.11702	1.5
113.05972	0.9
113.26112	0.8
114.05542	1.1
114.09180	0.9
117.06997	1.1
118.08687	0.7
119.08550	1.0
121.06508	1.0
121.10139	1.5
123.11695	1.5
125.09607	6.0
128.07076	2.9
132.10143	3.9
133.10115	1.6
135.11662	4.0
142.08588	2.2
149.13225	3.0
151.11182	3.0
155.14282	6.1
156.10236	1.5
159.11688	2.9
161.13249	2.2
163.11198	1.1
165.16338	0.8
173.11693	7.0
174.96843	1.2
177.12724	2.2
179.14354	1.2
184.20578	1.3
189.11176	6.8
194.13931	0.9
194.19011	12.8
195.13788	5.0
199.18358	0.9
209.15344	2.2
212.20064	1.0
213.14886	1.2
227.16383	21.0
236.20341	1.2
240.19539	14.8
241.19833	1.3
254.21124	15.6
259.20572	1.1
275.05930	1.0
277.21582	8.6
282.20590	12.0
286.77972	0.8
295.22665	1.2
300.21625	100.0
301.21988	6.3
344.24240	3.6
362.25543	1.8
362.32666	15.3
363.21674	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.341
Annotation	Pipnoohine
Peak:m/z	Relative Intensity
62.88221	0.1
69.57217	0.9
82.98525	0.1
98.20676	0.2
107.07325	3.7
114.83619	0.1
120.04115	0.1
120.08087	2.9
121.08835	0.5
134.09639	1.8
148.11145	0.4
151.09897	4.8
152.10228	0.1
162.12729	0.4
164.10701	2.8
165.11549	0.7
176.14310	0.2
178.12238	3.1
190.15912	0.4
192.13774	0.3
204.17278	0.1
206.15405	0.8
206.18961	0.5
218.18977	0.4
220.16905	0.4
232.20541	0.3
234.18567	0.5
246.22188	0.1
248.19965	0.2
262.21689	0.6
274.52209	0.1
276.23248	0.3
318.31509	16.0
319.31717	1.1
344.32953	0.6
362.34106	100.0
363.34442	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	362.2529
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05441	4.9
55.05733	0.6
56.04977	0.8
57.07007	2.2
58.02915	0.7
62.48020	0.3
67.05429	1.4
68.04951	0.9
69.06989	6.9
69.07394	0.6
70.06507	3.8
71.04935	0.7
71.08558	1.3
71.62240	0.3
71.62621	0.5
73.02836	2.5
74.02360	1.5
75.42447	0.3
76.03955	0.3
79.05428	0.3
81.07049	2.2
82.06497	0.5
83.08608	5.6
84.04504	3.3
84.08096	0.7
85.10077	1.0
86.02422	1.7
86.09637	0.5
88.03982	11.8
88.04470	0.5
88.07620	2.3
89.75333	0.3
93.06974	0.6
95.08587	1.9
96.08044	1.3
97.10152	3.8
99.00714	1.0
99.99895	0.3
100.03960	2.6
102.05532	5.7
102.09144	0.4
109.10061	1.3
110.09628	0.4
111.11613	1.4
114.05503	1.5
114.09056	1.1
116.03381	0.7
121.10066	0.4
128.03329	1.1
128.07057	2.9
130.92455	0.3
132.10187	5.3
133.06342	0.3
133.10086	0.3
142.04852	0.6
142.08617	3.2
146.04407	0.4
156.10172	2.0
176.12727	0.8
184.20618	2.6
194.13885	1.4
194.19025	12.5
195.19316	0.5
196.20287	0.3
200.77299	0.3
208.20587	0.4
210.22076	0.7
212.19965	0.9
217.12830	0.5
227.16228	0.4
229.12819	0.8
236.20044	2.0
240.19556	16.1
241.19849	1.1
254.21100	15.0
255.21378	0.8
256.26276	1.3
274.27426	0.8
282.20615	11.0
282.23752	0.5
283.20865	0.7
299.23474	0.4
300.21625	100.0
301.21985	3.6
318.29977	0.5
344.24191	3.2
362.25266	1.1
362.32587	23.4
363.23441	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.2942
Annotation	Unknow
Peak:m/z	Relative Intensity
53.91310	3.6
54.44783	3.0
55.01855	9.5
55.05492	20.0
56.05011	3.3
57.03421	5.1
57.07063	10.6
67.05482	30.0
69.03416	5.6
69.07060	46.1
70.06567	8.9
71.04968	8.7
71.63223	3.8
72.08136	3.7
79.05482	23.7
81.03423	7.2
81.07040	100.0
83.04953	30.2
83.08595	12.6
84.08118	7.3
85.02890	15.7
85.06526	6.8
86.09702	7.4
86.59329	3.2
91.05455	14.8
92.81197	3.8
93.07027	44.6
94.07301	3.8
95.04949	10.1
95.08589	42.0
97.02882	7.0
97.06493	19.8
97.10136	5.8
99.04422	6.0
99.08058	7.5
105.07007	20.2
107.04927	7.5
107.08562	38.6
109.02850	4.7
109.06496	7.8
109.10139	46.0
110.07141	6.4
111.08046	23.2
111.11715	8.4
115.05445	4.1
119.08565	15.2
121.06466	4.8
121.10128	26.6
123.08057	7.3
123.11683	32.6
125.09535	4.7
127.03877	8.0
128.04272	4.0
131.08519	7.3
133.10091	21.0
135.08020	4.0
135.11665	16.5
137.09578	5.9
137.13200	11.7
139.11162	10.5
145.04936	6.3
145.10098	5.9
147.11670	7.4
149.09634	4.5
149.13232	11.4
151.11108	24.7
153.12714	5.7
154.08607	12.8
159.08041	3.5
159.11647	5.2
161.13243	5.5
163.11194	3.8
163.14735	4.8
165.09105	3.8
165.12782	5.5
169.12248	3.8
173.13275	6.8
174.96921	6.2
175.14780	8.2
179.20370	3.1
181.12309	6.5
188.06992	9.2
191.17914	5.2
215.18153	3.5
231.11586	9.9
271.24149	12.0
277.25232	9.7
289.25281	27.4
299.10187	4.2
307.26227	35.3
329.09894	5.3
361.20187	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	361.2689
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01521	0.4
55.05255	0.6
55.05499	5.9
56.05025	1.0
57.07075	2.3
58.02953	0.5
60.04504	1.4
67.05489	3.0
68.05003	1.3
68.05771	0.4
69.07053	8.1
70.02935	1.5
70.06570	2.9
71.04973	0.7
71.08611	1.5
71.36539	0.9
72.04498	0.9
73.02904	1.0
74.02423	0.6
74.85197	0.4
79.05491	0.7
80.04983	0.5
81.07038	3.0
82.06564	1.4
83.08611	5.9
84.04483	2.3
84.08135	1.4
85.02848	0.5
85.10171	0.8
86.02396	1.6
86.09685	0.9
87.05574	6.9
88.03976	4.0
88.07589	0.5
91.05468	0.6
93.07017	0.6
95.08598	3.6
96.04496	0.9
96.08113	1.4
97.10172	4.2
98.09682	1.5
99.00826	0.9
100.03947	2.1
102.05535	2.0
107.08586	1.0
109.10155	2.3
109.10831	0.4
110.06030	0.7
110.09656	0.6
111.11694	1.4
114.05508	2.2
116.01698	0.5
119.08514	0.5
125.09641	0.4
128.03374	0.6
128.07043	2.6
130.04939	0.6
132.10156	1.3
133.06038	1.0
142.08612	1.6
156.10153	0.6
160.24429	0.4
162.58565	0.4
174.12137	0.6
184.20596	4.1
194.19012	22.7
195.19350	0.5
196.20555	4.6
208.20589	1.4
210.22128	2.5
218.78085	0.5
220.20494	0.6
222.18372	0.5
232.20619	0.4
236.20045	3.4
238.21614	0.7
240.19533	19.7
253.22707	8.5
254.21082	7.9
255.24352	0.9
260.47440	0.4
282.20605	16.7
297.24582	0.5
299.23236	100.0
300.21182	6.0
325.24802	4.4
343.20361	1.6
343.25830	4.5
362.23071	0.8
362.32611	4.1
373.65692	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.185
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.1
55.01848	1.1
55.05493	3.6
56.05013	0.7
57.03418	2.1
57.07053	0.8
59.04970	0.9
60.04516	0.8
67.05492	5.7
69.03073	0.7
69.03424	11.5
69.07057	14.5
70.06576	4.1
70.89062	1.5
70.89404	1.1
71.04972	3.6
72.08141	1.3
73.06538	1.0
78.85195	0.6
79.05048	0.9
79.05482	11.8
81.03407	6.3
81.07044	36.3
83.04935	1.2
83.08609	1.0
84.04478	0.8
84.08122	3.0
85.02893	5.1
85.06517	3.5
86.03231	0.9
86.09699	4.3
90.31145	0.7
91.05456	7.5
93.07031	23.0
95.04934	2.6
95.08597	9.6
97.02884	1.5
97.06506	7.9
97.10201	0.6
98.03254	0.8
99.04442	2.2
103.05377	0.8
105.07017	14.5
107.04940	1.2
107.08576	69.9
109.02840	4.5
109.06499	25.8
109.10147	5.4
111.08075	3.2
111.11717	3.4
113.06004	0.8
117.06967	2.2
119.08563	4.2
120.04555	0.7
120.08083	3.2
121.06462	1.8
121.10121	17.5
123.04412	0.9
123.08038	7.1
125.09573	1.1
127.03871	3.2
127.07493	0.8
128.04222	1.5
129.10197	0.8
130.06560	0.7
130.07726	1.8
131.04868	0.9
131.06847	0.8
133.10126	1.3
135.08025	1.3
135.11673	36.9
136.11946	0.8
137.05989	1.5
137.09583	3.4
137.13177	3.0
139.11156	17.8
141.10190	0.9
145.04901	1.8
145.10088	16.9
146.05278	1.3
147.11696	0.8
150.96886	0.9
151.35287	0.7
153.12709	7.3
163.11153	57.7
164.11540	1.2
167.06967	0.8
169.08569	1.4
173.11777	1.0
174.96854	2.0
176.96175	0.6
181.12206	100.0
182.12563	2.2
183.40973	0.7
189.09067	1.1
189.12712	0.7
190.04761	0.7
199.13264	26.4
227.12607	0.8
241.09583	0.7
251.20110	1.6
260.96759	0.7
297.08615	0.7
308.87939	0.7
315.18863	0.7
343.17484	4.4
361.09766	0.8
361.13763	3.1
361.18301	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	360.362
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59573	0.2
54.56617	0.2
55.05499	0.5
56.37791	0.2
63.00246	0.2
63.03083	0.2
67.05477	0.3
69.03417	0.2
69.44234	1.7
70.00116	0.1
81.07042	0.3
85.02876	0.4
91.05493	0.2
93.07013	0.2
95.08571	0.2
100.88414	0.2
107.07342	0.4
109.10172	0.2
118.06532	1.9
120.08060	0.4
121.08869	11.4
122.06077	0.3
129.01828	0.8
131.03760	0.2
132.08073	1.0
133.08856	0.2
134.06091	0.2
134.09645	6.0
135.10484	1.4
146.09639	2.0
148.11198	5.8
148.12408	0.2
149.07608	0.2
149.11772	0.2
160.11270	0.3
162.09125	3.5
162.12810	1.1
176.10693	1.9
176.14288	1.5
177.11450	0.5
178.12196	0.2
179.54080	0.2
185.08044	0.4
190.12256	4.2
190.15877	1.1
204.13797	0.8
204.17418	1.4
216.17456	0.2
218.15642	0.2
218.19055	0.6
220.20689	0.4
232.16905	0.3
232.20580	1.8
246.18573	0.3
246.22206	0.5
247.99292	0.2
260.20197	0.2
260.23575	0.2
274.21863	0.3
274.25266	0.6
288.23242	0.3
288.26813	0.2
316.29953	4.7
316.33600	0.3
317.30322	0.4
342.31528	0.3
357.95126	0.2
360.32446	42.0
360.36206	100.0
361.32767	4.2
361.36591	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	360.3253
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95061	0.2
70.82836	0.5
72.08117	0.4
76.72803	0.2
81.10580	0.2
107.07320	0.2
118.06515	3.3
120.08100	0.4
131.07306	0.2
132.08051	1.8
133.08832	0.5
136.06157	2.3
144.28197	0.2
146.09618	4.4
151.09912	0.2
160.11185	0.8
162.09105	5.0
164.52727	0.2
176.10678	4.7
177.11438	0.9
188.14345	0.3
190.08597	0.5
190.12227	9.1
190.15810	0.3
191.12575	0.5
202.15869	0.4
204.10263	0.2
204.13824	1.7
216.17409	0.3
218.15318	0.4
218.18964	0.3
218.93283	0.2
230.19011	0.3
232.16948	0.8
246.18509	0.6
246.22185	0.3
260.20078	0.5
260.23624	0.2
262.21637	0.5
274.21671	0.4
288.23108	0.4
316.29913	8.0
317.30197	0.5
342.31534	0.4
360.28763	5.2
360.32526	100.0
361.28845	0.4
361.32907	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	360.3255
Annotation	Pachyaximine A
Peak:m/z	Relative Intensity
63.58177	0.2
69.49718	1.5
87.37512	0.2
118.06525	3.3
125.39443	0.2
131.07301	0.2
132.08066	1.4
133.08813	0.6
134.09683	0.2
136.06139	0.5
144.08170	0.3
146.09630	3.4
151.09976	0.2
160.11223	0.3
162.09125	7.2
174.09081	0.4
174.12785	0.3
176.10692	3.5
177.11440	1.1
188.14447	0.4
190.12248	8.4
191.12651	0.2
202.15868	0.5
204.13834	1.3
216.17442	0.5
218.15408	0.6
218.18990	0.7
232.16975	0.6
243.77095	0.2
244.20642	0.2
246.18556	0.7
246.22101	0.3
260.20090	0.9
274.21588	0.6
290.24634	0.2
316.29953	8.8
317.30405	0.4
324.14554	0.2
336.78979	0.2
342.31256	0.3
360.32550	100.0
361.32901	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	360.31
Annotation	Unknow
Peak:m/z	Relative Intensity
54.93882	0.3
55.05502	4.7
57.07064	2.3
58.50422	0.3
67.05495	1.4
68.05022	1.6
69.03418	3.6
69.07055	6.4
69.84313	2.3
70.04182	0.4
70.06581	11.2
71.08610	1.5
72.08135	1.2
81.07036	1.3
83.08606	4.2
84.04497	0.5
84.08140	0.6
85.02878	0.9
86.06051	10.5
86.09686	1.7
87.04453	16.9
88.03996	0.5
95.08580	1.3
97.02888	0.5
97.10140	2.0
98.06036	63.1
99.06352	0.6
100.28236	0.4
104.07105	1.1
109.10133	0.6
112.07594	1.7
129.89647	0.4
137.38022	0.4
145.04930	0.6
150.07765	0.6
152.26439	0.4
166.32570	0.4
178.64140	0.4
184.94092	0.4
212.23674	9.3
252.26807	4.9
280.26291	9.0
280.29300	0.6
281.03055	0.5
281.26779	0.6
298.27350	100.0
299.27707	5.3
303.01584	0.7
305.03275	0.5
319.04904	0.4
342.29968	21.2
343.30292	1.3
345.03885	0.7
360.31018	53.2
361.31430	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	360.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	6.3
53.54113	4.5
55.05504	42.1
58.72668	4.9
67.05492	74.0
69.07057	41.0
69.75513	27.3
69.75922	8.4
71.04981	100.0
71.81673	4.6
73.06528	11.0
79.05481	84.4
81.07047	51.6
83.04976	5.6
83.08617	26.5
87.08063	5.6
89.78281	5.1
91.04960	5.0
91.05460	33.6
93.07023	63.3
95.04932	7.2
95.08595	36.3
97.06503	14.2
97.10167	30.3
98.20747	6.8
105.07037	26.8
107.08571	68.6
109.10152	41.8
117.07012	12.6
119.08544	22.8
121.10127	56.9
123.11629	9.4
125.09630	32.9
133.10103	17.1
135.08061	6.3
135.11685	14.2
143.10555	5.4
143.69342	4.9
145.10158	5.4
147.11609	8.9
149.09567	8.5
149.13190	10.9
153.12733	48.4
155.10622	15.3
159.11678	17.3
173.11694	92.6
177.12675	12.8
189.11182	38.6
195.13840	10.2
209.15392	9.1
213.14766	9.4
227.16364	62.0
239.17838	5.5
257.19046	10.2
275.19998	94.2
275.22781	9.4
307.22635	12.2
377.47067	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	360.2374
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23148	4.1
51.18101	3.5
53.03933	9.2
54.26547	3.9
55.01865	21.6
55.05256	5.5
55.05502	67.3
56.05009	5.6
57.03407	9.8
57.07043	6.6
59.04986	30.3
67.05492	91.9
69.03413	22.8
69.07056	100.0
70.06571	14.2
71.04980	88.1
71.13204	11.4
72.08127	6.9
73.02898	6.5
73.06535	8.2
76.02225	6.2
79.05479	89.0
81.03393	19.1
81.07052	66.2
83.04954	17.9
83.08608	40.5
84.04472	5.2
84.08105	3.8
85.02869	28.5
85.06527	6.7
86.09685	5.7
91.05470	36.9
93.07024	70.9
95.04964	25.4
95.08585	44.7
97.02864	14.5
97.06506	54.7
97.10164	54.6
98.06032	6.8
105.07007	30.7
107.04921	12.6
107.08578	62.9
107.30647	4.3
109.06470	18.6
109.10143	56.6
113.06030	4.6
115.07561	12.6
115.08705	4.8
116.01640	8.1
117.06994	15.3
119.08563	23.4
121.06474	12.6
121.10118	58.4
123.08035	5.3
123.11710	9.0
125.09628	46.7
127.03902	26.7
131.08519	18.4
133.10095	17.7
135.08034	7.7
135.11681	10.2
137.09570	7.2
145.04941	25.5
145.10100	12.3
147.11655	14.0
149.09604	10.6
149.13251	4.9
153.12689	42.9
155.10652	14.2
159.11719	8.1
161.13203	5.7
162.02150	7.8
163.06018	8.5
163.11139	5.0
173.11711	84.8
173.13118	6.4
177.12668	4.6
181.57179	4.5
189.11165	33.6
223.13292	7.1
227.16348	16.3
237.14876	6.7
240.19627	5.6
257.18958	8.5
273.18365	12.6
275.20032	48.5
281.25906	7.6
291.19458	7.9
298.28207	7.5
300.16086	6.8
302.76379	4.6
324.43317	4.3
325.20361	5.9
342.30948	4.9
343.20444	30.5
360.23532	7.9
361.19824	13.0
380.43408	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	360.1646
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01848	0.7
61.02903	0.8
69.03405	1.3
70.06577	0.9
70.17788	1.4
71.04979	0.3
77.03909	0.4
81.03382	0.4
82.84123	0.3
85.02416	0.5
85.02890	6.5
91.03955	0.3
97.02871	1.3
99.54208	0.3
103.26448	0.3
109.02878	0.5
117.06993	0.9
123.04408	100.0
124.04726	1.7
127.03902	1.1
135.08025	2.3
145.04919	1.7
145.06476	2.6
163.07515	30.7
164.07883	0.9
180.08664	0.8
181.08578	11.9
198.11183	0.6
206.22481	0.3
212.74492	0.3
277.84378	0.3
361.25766	0.3
380.14905	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.1647
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	1.7
56.49407	0.5
57.03406	1.2
60.87963	0.4
61.01120	1.6
61.02902	1.2
69.03413	7.0
70.06570	0.9
71.04982	1.4
71.48862	0.6
71.49200	0.8
72.08130	1.4
73.02885	1.4
81.03393	1.1
84.04472	0.7
85.02895	20.2
86.09693	4.5
94.66736	0.5
94.68030	0.5
97.02882	6.0
99.04433	1.7
101.02342	1.2
115.03898	0.7
117.03674	2.1
121.06488	6.6
123.04352	0.6
127.03896	14.6
135.04692	1.2
141.05432	0.8
145.04941	13.1
147.04398	1.0
149.02380	0.7
163.03929	4.6
163.06136	4.7
163.07512	100.0
164.07864	3.7
180.08611	1.3
181.05112	3.4
181.06516	0.5
185.16452	1.0
188.09232	0.5
199.05919	0.5
212.95723	0.5
213.15936	0.6
308.41489	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.1284
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.0
55.01868	4.5
55.05492	0.6
56.05022	1.4
57.03419	2.0
60.04512	0.8
61.02911	1.5
65.03922	0.6
67.05479	0.9
68.99792	0.5
69.03418	8.1
69.07052	1.7
70.06583	10.3
71.04984	0.8
71.14372	1.3
72.08136	3.3
73.02904	1.2
79.05465	1.4
81.03394	1.8
81.07058	0.6
84.04473	1.0
84.08129	3.1
85.02895	26.0
86.09203	1.0
86.09695	14.1
87.10011	1.5
91.03942	0.8
91.05447	3.2
93.07014	3.5
95.04961	1.4
97.02883	9.8
97.06486	0.6
99.04448	1.7
99.83529	0.5
102.08398	0.6
103.05437	1.2
104.05273	1.3
105.07011	1.2
107.04939	2.5
107.08578	1.8
109.02871	2.0
111.04459	0.7
111.08059	2.2
115.03889	0.9
115.05453	1.0
116.07099	0.6
116.19131	0.5
117.06991	4.7
119.04903	0.7
120.08086	1.0
121.02858	1.7
121.06514	4.5
123.04434	1.5
125.02348	0.5
126.05551	0.6
127.03902	15.5
127.04790	1.1
129.10173	0.8
131.04944	0.6
133.02843	2.9
135.04396	2.8
135.08023	1.2
136.07509	0.7
137.05920	0.7
139.07520	22.2
141.10168	0.8
142.83174	0.6
143.03368	1.6
145.04947	13.2
145.06187	0.9
149.02324	100.0
150.02676	1.6
153.09131	1.4
163.03888	70.4
163.05836	3.0
163.07338	3.3
164.04198	1.8
167.03432	1.7
180.08656	1.9
181.04941	35.9
181.08527	2.0
182.05235	1.0
183.11246	1.3
190.04951	0.8
190.61781	0.5
197.11784	1.0
200.13876	2.7
201.12506	0.9
201.14273	2.7
228.13492	0.6
229.11792	1.3
229.13652	1.1
229.15585	1.3
245.21033	0.5
256.16965	2.8
314.94467	0.5
360.18179	2.1
361.09094	0.9
373.03592	0.5
381.15833	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.1283
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.5
55.01852	1.9
55.05515	0.8
56.05026	0.8
56.48578	0.3
57.03420	2.3
60.04509	1.0
61.01139	1.2
61.02914	2.3
68.05021	0.3
69.03418	7.8
69.03797	0.4
69.07062	1.4
69.42340	2.9
70.06579	13.5
70.26006	0.3
70.97041	0.3
71.04994	0.8
71.06914	1.3
72.08141	7.7
73.02906	1.3
73.08492	0.4
74.06071	0.8
74.66803	0.3
79.05468	0.7
81.03401	1.7
81.07052	0.3
84.04492	3.7
84.08131	3.8
84.55193	0.3
85.02891	27.9
85.08479	0.7
86.03233	0.5
86.06062	0.4
86.09692	14.5
87.04477	0.5
87.10030	0.7
89.03886	2.5
91.03929	0.6
91.05457	0.8
93.07029	0.4
95.04983	0.5
97.02871	8.5
98.06052	0.6
98.21426	0.6
99.04416	1.6
101.02374	1.2
102.05526	1.7
103.05407	0.4
107.04921	2.3
109.02847	2.0
110.07167	0.7
115.03926	0.7
116.07069	0.6
117.03369	4.7
118.06860	3.7
118.08630	4.4
119.04949	0.4
120.06469	0.6
120.08110	0.7
123.04426	2.1
127.03891	12.7
129.06589	1.6
129.10199	2.1
131.04927	0.9
135.04398	11.4
135.05275	0.3
135.08015	0.6
137.05963	0.9
139.03891	0.9
145.02838	9.2
145.04926	13.0
147.04379	1.1
148.06033	0.4
163.03877	100.0
163.06068	3.2
164.04202	2.2
165.05438	1.6
176.02939	0.4
177.05345	0.4
180.08638	2.0
181.04922	48.4
182.05261	1.2
185.16425	2.2
188.85365	0.3
193.34659	0.4
195.08907	0.5
197.12820	2.6
198.07550	1.1
198.09569	0.4
207.07817	0.3
213.15926	1.1
215.13866	2.9
217.11873	0.4
225.12378	0.7
235.07368	0.4
243.13309	1.2
247.66652	0.3
279.15643	0.4
298.20575	0.4
325.08829	0.3
342.13580	1.0
342.22592	0.4
359.70166	0.6
360.13144	0.6
360.20337	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.3151
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50620	0.5
55.01867	3.5
55.05502	8.5
57.03400	1.8
57.07068	27.0
58.06544	0.8
58.07365	0.6
67.05497	10.2
69.07063	7.4
69.81375	0.7
70.06536	2.1
70.73511	1.5
70.73863	1.1
71.06900	0.7
71.08623	21.1
75.04424	0.8
77.00597	0.7
79.05447	1.6
81.07046	12.9
83.08148	0.6
83.08602	11.6
85.02850	0.6
85.10178	11.5
88.07561	2.1
91.05445	1.3
93.06985	2.0
95.08595	17.5
97.06482	1.4
97.10152	10.5
99.11673	1.1
103.05444	0.8
105.03717	10.5
105.06956	0.9
106.08562	1.0
107.08495	0.8
109.10143	7.6
111.04357	0.7
111.07932	0.8
111.11684	3.3
118.06452	2.0
121.10086	1.5
122.06313	4.2
123.11696	5.1
125.13242	0.9
127.03848	0.6
131.04819	2.6
132.08073	6.8
133.08401	3.7
137.04987	0.6
137.05945	5.8
137.13156	2.7
145.08473	0.8
146.09630	5.0
147.09937	2.7
151.03822	0.9
151.14711	0.9
160.11194	5.9
161.11543	4.1
162.09047	2.1
162.83925	0.6
163.14760	1.4
174.02974	1.0
174.12730	1.1
175.07468	0.8
175.12901	1.0
176.10645	0.8
177.05344	0.9
181.15843	4.7
189.03964	0.9
189.05446	10.9
189.09007	0.6
190.12151	1.9
191.06973	0.9
197.11757	0.7
202.15784	0.9
203.06950	0.8
203.16116	0.7
218.19078	0.6
249.25696	1.4
267.26825	5.0
285.27664	1.8
296.29446	23.4
315.19223	2.2
316.29669	2.6
317.20807	2.4
340.13712	0.5
341.30441	21.2
341.34903	1.3
341.36444	1.2
342.30707	1.5
359.22372	8.2
359.34726	100.0
360.32529	31.1
360.36050	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.3149
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62283	1.5
55.05504	16.1
57.03438	7.6
57.03667	1.7
57.07066	95.3
61.64801	1.4
64.46192	1.3
67.05490	33.4
69.03397	2.4
69.07057	19.9
69.96394	6.6
69.96815	3.3
70.06567	3.7
71.08620	72.0
75.04446	5.3
79.05472	4.2
81.07046	37.9
83.08607	24.9
83.60920	1.5
85.10167	39.9
88.07609	5.1
89.06012	3.9
91.05452	4.3
93.07018	6.6
95.08593	63.4
96.08942	2.3
97.10154	28.1
98.10445	1.6
98.21379	2.3
99.11752	2.0
105.07017	2.3
109.10131	31.1
111.11684	15.0
113.13240	2.4
118.06445	3.0
121.06496	3.9
123.11682	15.6
125.13251	2.3
132.08066	2.0
137.13193	8.8
143.19566	2.0
146.09625	3.0
151.14767	2.2
162.09093	5.5
165.09067	2.2
176.10628	2.1
181.86761	1.4
190.12218	6.3
193.19446	1.4
204.13759	1.8
249.25832	2.1
267.26794	23.8
274.04880	1.6
285.27783	6.0
290.58829	1.6
315.33905	1.7
316.29919	6.8
341.30447	99.0
342.30753	7.8
359.21985	6.3
359.37152	39.7
360.32520	100.0
360.36276	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	359.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	2.4
55.05502	4.8
55.05752	0.7
56.05017	2.7
57.03434	2.5
57.05805	0.6
60.04512	1.2
61.01154	0.8
61.02911	0.8
67.05502	0.7
69.03418	6.5
69.07055	2.5
69.37619	0.5
70.02966	0.7
70.06579	11.6
71.04984	0.9
71.62108	0.7
72.08145	49.5
73.02908	5.1
73.08497	0.8
74.06070	0.8
79.05499	1.1
81.03408	1.7
81.07051	1.2
83.06087	14.9
84.04492	17.0
84.08129	7.6
85.02892	18.6
86.09691	100.0
87.04459	1.1
87.05575	0.7
87.10030	2.3
88.03950	0.6
90.05543	0.6
91.03963	0.7
91.05460	1.4
93.07025	0.5
95.04935	0.7
96.04448	0.5
97.02879	6.6
97.06567	0.7
98.06043	0.6
99.04444	2.1
101.02391	1.2
101.07143	3.5
101.07700	0.6
102.05559	2.0
103.05447	3.0
104.05340	0.5
105.07005	2.2
107.04953	0.8
109.02893	1.6
109.06515	1.1
109.10156	0.7
110.07134	0.9
111.04420	0.5
112.08743	0.5
113.07137	0.8
114.09119	0.6
115.03903	0.5
115.05515	0.5
116.07088	2.6
118.06862	0.9
118.08644	9.4
119.04899	0.6
120.08112	1.4
121.06489	0.9
123.04414	0.9
123.08041	0.7
124.11216	0.6
125.05979	5.0
127.03899	11.2
127.04794	0.9
129.06558	3.8
129.10202	6.8
129.11075	0.5
130.05017	0.5
130.08577	0.7
131.04919	6.2
131.11827	0.5
132.10187	12.0
133.10103	1.5
135.04446	0.7
135.08015	0.6
136.07634	0.5
137.05956	7.8
137.06915	0.7
137.09544	0.8
138.09114	4.8
141.06520	0.9
143.11774	10.9
145.03058	0.5
145.04930	13.1
147.04420	0.6
147.11368	0.5
148.06306	0.5
149.05957	0.8
149.07085	0.8
151.03889	12.8
151.05066	1.1
151.07550	1.0
151.11153	0.5
152.10681	1.1
153.05391	0.5
155.11806	1.5
156.10220	0.6
157.09695	3.9
157.13353	1.7
160.05199	0.6
161.05933	0.6
161.09555	0.8
163.03847	1.2
163.06041	2.3
163.07553	2.7
165.06746	0.5
167.06880	0.5
169.13350	1.9
171.11279	4.4
174.06818	0.6
175.07535	4.5
175.10725	0.8
175.12094	0.5
179.03410	1.5
179.06973	3.9
179.08344	0.6
179.10681	1.5
180.03732	1.3
180.08699	0.7
181.04901	0.8
182.12888	8.4
183.11256	11.4
183.12746	0.5
185.12790	0.8
185.16458	1.8
187.07524	4.1
189.09145	1.0
189.12257	0.7
196.14388	4.9
197.08051	13.6
197.13028	4.2
199.18123	2.2
200.13843	3.9
201.12326	1.3
203.13881	9.8
208.09546	0.6
210.06276	0.5
210.12335	3.9
211.10791	1.3
213.15878	0.6
214.15445	2.3
215.13931	1.7
217.13596	1.1
224.13902	2.4
225.12334	1.9
225.15956	2.1
227.17558	0.9
228.13376	4.6
229.11826	1.3
231.17082	0.9
242.14952	4.4
243.13339	0.8
246.14522	0.8
248.08263	0.8
260.15979	3.2
265.08527	0.7
270.08884	1.2
270.18097	6.5
279.10135	0.7
283.09668	0.5
291.10202	1.4
296.19403	0.6
311.12866	1.0
323.12726	1.8
324.19318	0.6
339.09390	0.5
341.13791	0.6
341.21799	11.6
342.20316	1.4
359.03012	0.7
359.10956	0.6
359.16428	1.9
359.22977	5.4
360.19922	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1695
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	1.0
55.01851	1.6
55.05494	0.5
57.03432	2.2
57.07054	0.5
59.04977	0.5
60.63790	0.3
61.02916	3.0
63.64024	0.3
67.05488	1.5
67.89866	0.3
69.03064	0.5
69.03416	7.4
69.06747	0.3
69.07053	3.0
70.06584	4.5
71.04966	1.6
71.61889	0.5
71.62266	0.3
72.08133	1.4
72.65919	0.3
73.02898	1.4
79.05475	1.5
80.87891	0.3
81.03405	3.3
81.07029	1.7
83.04965	0.6
84.04468	0.8
84.08109	1.6
85.02891	30.2
85.06505	0.4
86.03196	0.6
86.09692	21.5
87.00820	0.5
87.04445	0.7
87.05591	1.7
87.10017	0.4
88.03969	0.4
91.03948	0.8
91.05446	3.8
93.07030	7.1
95.04958	2.2
95.08598	1.1
96.08128	0.5
97.02261	0.7
97.02872	9.0
97.06477	0.4
99.04418	1.8
101.02365	0.4
103.05455	1.0
105.07011	7.0
107.04942	0.6
107.08575	17.6
108.08908	0.5
109.02859	2.8
109.06490	2.0
109.10133	1.3
110.02348	0.8
111.04451	0.5
113.05981	0.6
113.10745	0.8
116.07095	0.7
117.06962	0.4
119.04902	0.8
119.08555	2.5
120.08099	0.9
121.06477	2.0
121.10136	0.4
123.04410	1.4
123.11695	1.1
127.02950	0.5
127.03897	10.1
129.03551	0.4
129.10214	2.1
131.04906	1.6
131.08566	0.5
132.10117	0.7
133.06424	0.4
133.10107	17.7
134.10451	0.7
135.08041	0.6
135.11671	18.0
136.12016	0.7
137.05974	2.0
137.09550	1.7
138.09084	0.7
139.07593	0.5
141.10196	2.6
143.08594	0.4
145.04927	6.7
147.04384	0.7
149.05913	0.4
151.11137	1.5
155.11717	1.1
159.02840	0.4
161.05977	0.5
161.08264	0.6
161.09587	10.6
162.09879	0.6
163.05975	1.1
163.07407	0.7
166.08601	1.4
169.08537	0.6
179.10640	33.9
180.10939	1.2
183.11270	1.4
187.10658	0.8
197.11699	100.0
198.12048	3.5
200.13892	3.0
211.10767	1.1
212.09135	2.1
227.12758	0.5
228.13406	6.5
229.11800	1.7
229.15367	0.6
246.14432	2.7
296.19644	1.0
317.17776	0.4
331.71997	0.3
341.11646	0.7
342.20270	0.8
345.13092	0.7
359.10492	1.5
359.16769	0.9
359.22684	1.2
360.17886	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1694
Annotation	Grevilloside B
Peak:m/z	Relative Intensity
53.03938	0.5
55.01858	0.8
55.05495	0.4
57.03421	0.6
61.02904	1.6
67.05479	0.6
69.03404	3.6
69.07026	0.7
70.06567	1.2
70.81846	1.2
71.04950	0.5
72.08145	0.6
73.02867	0.7
79.05466	1.9
81.03400	1.2
81.07040	2.0
83.04941	0.4
84.08121	1.1
85.02894	11.0
86.09199	0.7
86.09689	10.2
87.04419	0.7
87.05578	0.9
91.05447	2.6
93.07035	5.0
95.04951	0.5
95.08582	0.7
97.02863	2.5
97.77885	0.4
99.04443	0.6
105.07006	6.1
107.04908	0.6
107.08576	31.3
108.08904	0.5
109.02861	1.3
109.06481	0.8
109.10133	1.8
119.04926	0.4
119.08565	5.0
121.06508	0.5
121.10125	5.0
123.08038	0.5
123.11674	0.8
127.03881	2.8
129.10162	0.4
131.08543	0.6
132.10179	0.6
133.10104	16.7
134.10435	0.5
135.11668	0.7
137.05936	0.9
137.09573	0.7
139.07504	1.4
141.10184	0.9
143.08577	0.8
143.11739	1.0
145.04964	1.8
149.09605	3.6
151.07532	0.9
151.11147	7.2
155.11728	1.5
161.05933	0.4
161.09583	5.1
167.10646	11.8
167.12071	0.6
179.10638	15.0
180.01366	0.4
180.10963	0.5
183.11255	0.9
197.11700	100.0
198.12042	2.7
200.13910	3.2
201.12291	0.4
228.13368	2.1
339.02551	0.4
341.21725	0.6
359.16614	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.3463
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05486	0.3
57.07066	0.9
60.17271	0.1
63.83288	0.1
67.05487	0.3
69.07050	0.3
69.50942	0.3
69.51349	1.2
70.06580	0.9
71.08609	0.4
71.16349	0.1
80.61769	0.2
81.07032	0.3
83.08604	0.2
88.07618	1.6
95.08562	0.3
98.20794	0.3
99.33296	0.1
102.09129	0.3
106.08633	0.8
109.10100	0.1
117.75655	0.1
118.06490	0.4
119.31554	0.1
121.08812	0.6
121.83798	0.1
131.07199	0.2
132.08064	10.0
133.08676	0.2
144.08061	0.9
145.08792	0.2
146.08488	0.3
146.09622	6.4
147.10405	1.5
158.09587	0.5
160.11194	11.5
161.11601	0.2
174.12749	2.2
181.15805	0.2
188.14279	1.0
202.15883	1.4
216.17416	1.1
230.18999	0.8
232.20572	0.4
244.20607	0.8
246.22067	0.2
250.89433	0.2
258.22177	1.1
260.23547	0.4
266.25391	0.2
272.23697	0.6
274.25143	0.2
286.25107	0.5
299.44897	0.2
340.35706	0.7
358.34476	100.0
359.22101	0.5
359.34818	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	358.3463
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	0.2
57.07074	1.0
67.05481	0.3
69.07045	0.3
70.06577	1.2
70.80872	0.2
70.81223	0.5
71.08593	0.5
81.07016	0.2
83.08602	0.4
87.04459	0.3
88.07619	1.4
93.07033	0.3
95.08575	0.5
102.09142	0.3
105.06991	0.2
106.08625	0.9
107.07281	0.4
121.08819	0.7
131.07249	0.2
132.08070	8.4
133.08806	0.3
134.09570	0.2
137.13289	0.2
144.08084	0.9
145.08807	0.7
145.99867	0.2
146.09624	7.8
147.10428	1.4
158.09618	0.4
160.11197	14.4
161.11748	0.3
174.12779	2.3
185.89201	0.2
188.14317	0.9
202.15887	1.3
216.17371	0.9
230.19067	1.0
232.20575	0.4
244.20592	0.9
246.22003	0.3
258.22159	1.2
260.23636	0.6
267.26440	0.2
272.23572	0.4
330.59357	0.2
340.35522	0.6
341.30319	0.3
358.34509	100.0
359.34872	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	358.222
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.6
55.05501	7.0
56.05027	0.5
59.04985	0.8
62.06063	0.8
64.84236	0.3
67.05482	1.6
69.03412	0.4
69.07058	22.6
70.06583	7.3
70.07378	0.5
70.07964	0.6
70.08374	1.3
71.04981	1.0
72.08138	3.0
73.02931	0.5
73.06558	3.0
75.07519	0.3
79.05485	4.6
81.05790	0.4
81.07034	2.7
82.06540	0.6
83.04972	4.8
84.04485	1.0
84.08116	1.8
85.06514	0.5
86.06056	21.9
86.09693	41.5
87.10005	0.6
91.05469	0.9
93.07036	1.5
94.06596	0.5
95.04967	0.7
95.08598	0.9
96.08123	6.8
97.06517	3.3
98.06056	1.2
98.09681	7.7
98.20829	0.5
99.04438	0.6
101.06006	5.0
105.07030	0.9
107.04953	0.5
107.08582	1.0
108.08119	3.3
109.06509	0.8
109.10116	0.7
110.06035	0.4
110.09650	1.0
111.04414	4.7
111.08041	0.5
112.07601	0.4
113.08392	0.4
114.09157	1.1
115.07552	2.1
116.10715	56.8
117.11088	0.7
119.08519	0.8
120.08105	0.6
121.08910	0.5
122.09669	1.7
124.07564	2.8
124.28314	0.4
126.09144	1.1
127.04027	0.4
127.05019	0.5
129.05472	2.9
129.10236	0.4
132.10153	0.7
133.10059	0.4
134.09654	0.8
137.05972	1.0
138.09134	0.7
140.10748	0.8
142.08601	8.1
147.11588	0.5
148.11131	0.4
151.11166	1.4
152.10670	0.8
154.08624	2.6
155.07034	1.5
158.11737	0.4
159.10144	2.9
164.14368	0.5
169.12212	0.4
170.15419	1.0
172.09665	3.5
173.08041	3.6
180.13770	0.6
182.15379	0.9
184.16977	0.6
187.14394	0.4
190.12436	0.4
194.15385	1.6
198.80914	0.4
199.18025	10.7
212.16425	21.4
213.16806	0.6
223.07547	0.4
226.14348	3.3
227.17505	7.8
229.15373	1.7
230.17480	100.0
231.06561	0.5
231.17772	2.7
232.06833	0.4
244.15411	11.4
244.17819	0.7
245.18492	2.6
253.08684	0.6
298.10779	0.7
316.11835	0.6
338.24341	0.4
339.84668	0.5
340.21133	5.3
341.11096	0.5
344.96643	0.4
358.22220	24.6
359.07306	0.6
359.22577	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.2219
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30274	0.7
53.24099	0.7
55.01848	2.2
55.05260	1.0
55.05503	13.5
56.05013	1.3
57.03415	0.9
59.04982	1.7
62.06058	2.1
67.05473	2.4
69.03406	2.8
69.07062	30.4
69.52825	4.9
69.53250	1.4
70.06586	6.9
71.04965	2.1
72.08140	5.2
73.06539	3.8
79.05494	6.3
81.03400	0.8
81.05773	1.1
81.07053	6.3
82.06557	1.5
82.07368	0.8
83.04969	12.5
84.04517	1.6
84.08121	5.8
85.02874	0.9
86.06058	30.3
86.09696	20.5
87.04448	1.6
91.05446	2.5
93.07008	2.7
95.04945	1.8
95.08585	2.8
96.08110	8.3
97.06518	4.3
98.06035	3.8
98.09687	15.8
99.04438	1.6
100.07607	1.1
101.06007	10.9
103.05415	1.5
105.07005	3.0
107.08584	3.0
108.08102	3.8
109.02880	1.8
109.06490	2.9
109.10123	1.2
110.06038	1.0
110.09682	0.9
110.76154	0.8
111.04425	9.6
113.05971	0.7
114.09137	2.3
115.07545	2.7
116.10719	65.3
117.06995	1.4
118.14664	0.8
119.08551	1.6
121.06482	1.3
121.08826	0.9
121.10125	1.0
122.09641	2.4
123.08052	0.9
123.41673	0.7
124.07610	4.2
126.09136	1.6
127.07587	1.0
129.05484	3.7
129.10222	2.3
130.06503	0.9
131.04927	3.7
131.08516	1.2
133.10083	1.3
134.09608	2.3
137.05988	3.8
138.06290	0.8
138.09094	1.1
140.03412	1.3
140.10675	1.2
141.09071	1.5
142.07550	1.1
142.08617	15.2
145.06599	0.8
147.06531	0.9
147.07860	0.7
148.11244	1.1
149.06020	0.9
151.11140	1.3
152.10658	1.0
154.08583	3.5
154.12242	0.8
155.07010	5.1
159.10197	3.5
161.05972	0.9
162.06540	0.9
164.10689	3.6
165.05460	0.8
165.09087	2.5
169.12215	0.8
170.15359	1.0
172.09688	4.7
172.10956	0.7
173.08090	6.7
173.32013	0.7
178.04951	0.7
179.03346	0.8
179.35396	0.8
180.13898	1.4
182.08156	3.0
182.15375	3.4
188.07047	1.5
190.12248	2.4
193.08574	1.7
194.15413	1.4
197.11552	1.7
198.14815	1.6
199.18057	4.2
208.13332	2.5
209.68217	0.7
212.16431	29.8
213.16692	1.6
226.14359	16.6
227.14749	0.9
227.17517	2.4
230.17488	100.0
231.17822	2.4
244.15417	46.4
245.15771	0.8
250.10744	2.9
262.09161	1.1
268.11740	3.2
308.09991	2.2
322.12408	1.9
328.12463	0.8
340.13596	2.9
340.21115	19.8
349.95151	0.7
358.22202	24.3
359.13214	2.7
361.39349	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.2743
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08440	1.3
53.03942	2.0
53.42479	1.4
54.82891	1.2
55.05503	65.2
56.05033	3.4
57.06813	1.8
57.07067	20.9
66.14787	1.3
67.05500	3.7
69.07058	100.0
69.84615	1.5
70.02953	1.4
70.06565	4.1
70.23112	1.3
71.06326	2.9
71.08616	12.0
81.07046	3.0
83.08607	66.9
84.08131	3.2
85.10167	17.1
87.04462	2.8
87.05586	6.6
93.06983	1.8
95.08559	3.5
97.10158	83.8
98.06040	4.6
98.10510	2.1
100.03962	9.5
105.06996	2.3
109.10144	2.0
109.59258	1.6
111.11709	48.8
113.07116	12.0
114.05516	14.9
125.13290	7.6
129.06970	1.3
133.06432	1.2
142.04987	20.7
154.25169	1.6
159.07628	75.1
161.05962	1.8
166.47403	1.3
173.88522	1.4
193.08611	2.3
199.20557	32.4
218.48132	1.4
220.20590	2.7
281.25708	1.4
308.22293	1.5
314.26804	1.9
325.21365	2.4
325.24799	42.1
357.27460	5.8
358.29547	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.2743
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.7
53.23449	1.7
55.05503	62.4
56.05024	3.4
56.96548	4.2
57.03437	2.2
57.07069	17.0
61.02934	2.2
67.05498	10.8
69.03408	3.4
69.07060	100.0
70.06593	7.3
71.08622	14.5
71.62981	1.7
73.02911	4.0
79.05484	6.9
81.07035	10.0
83.08607	67.3
84.08115	2.7
85.02877	3.3
85.10169	10.9
86.06078	2.0
87.04462	2.9
87.05590	6.0
91.05491	4.2
93.07037	6.0
95.04963	1.7
95.08594	8.0
96.04478	2.0
97.02894	4.4
97.10158	83.2
98.06052	4.2
98.10479	2.4
98.97577	5.5
100.03954	10.6
105.07039	3.4
107.08578	3.4
109.10136	3.8
111.11710	46.5
113.07115	11.1
114.01466	1.5
114.05527	11.0
116.98616	5.0
119.01817	3.8
119.08587	1.8
121.10144	1.8
123.11667	1.6
125.13242	5.5
131.00192	4.6
133.72180	1.9
138.12712	1.4
141.06569	1.7
142.04974	20.1
147.03065	3.2
149.01205	16.9
156.03615	15.4
159.07635	69.0
167.02278	6.3
167.54474	3.8
170.99707	2.3
172.02789	2.2
177.00693	3.4
182.03252	1.6
182.19186	2.0
188.27618	1.6
189.00853	1.9
191.02313	1.5
194.19125	3.4
199.20551	31.8
201.63191	1.7
203.02203	2.4
206.24991	1.5
221.64769	1.6
228.05692	4.7
235.24121	1.7
240.19527	2.7
248.57170	2.2
277.13766	26.5
282.20517	5.1
293.05515	3.1
293.88181	1.5
297.65021	2.1
307.59744	1.5
317.18173	1.7
325.24814	59.3
326.24841	2.1
349.15985	2.3
357.27448	4.7
358.16373	76.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.2742
Annotation	Unknow
Peak:m/z	Relative Intensity
54.09622	0.4
55.05254	0.6
55.05505	7.4
56.05021	1.1
57.07062	1.2
62.06048	0.4
67.05487	1.4
68.05019	9.3
69.07059	9.2
70.06573	0.7
70.37753	1.0
70.38150	1.0
71.08620	0.6
73.01346	0.4
75.54254	0.4
79.05470	0.6
81.07030	1.4
82.05328	0.6
83.06102	2.0
83.08601	5.4
84.04493	48.3
84.08101	1.0
85.02886	4.6
85.10175	0.6
86.06031	1.8
91.05451	0.9
95.01303	0.5
95.08582	1.6
96.04487	6.3
97.10161	3.5
98.06032	1.9
98.97483	0.5
101.07143	1.1
102.05510	3.0
105.07037	0.7
109.10107	0.7
110.07130	0.4
111.05556	10.1
111.11653	1.1
112.03939	0.6
114.05514	42.6
115.05907	0.5
120.08044	0.5
124.07523	0.5
130.04987	44.3
133.10042	0.4
142.04979	38.6
143.05325	0.8
160.06036	0.5
184.20615	3.9
210.22121	1.0
222.22163	4.1
227.78284	0.5
250.21667	7.1
267.24313	2.9
268.22729	1.2
285.18820	1.2
293.25989	0.9
296.22165	27.2
297.22458	1.5
313.24802	100.0
314.22998	1.9
314.25171	2.7
321.25348	1.1
339.26407	7.2
343.82104	0.5
357.20981	0.8
357.27524	10.4
379.41818	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.2206
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01723	0.8
53.03925	1.3
55.01849	2.7
55.05503	9.7
55.26962	0.6
56.05825	1.4
57.07065	12.0
61.00481	0.8
61.02898	2.5
67.05491	4.1
68.31231	0.7
69.03414	4.4
69.07056	6.4
69.79510	1.9
69.79927	3.1
70.06579	7.5
70.07386	1.5
71.06924	1.7
71.08614	1.2
72.08086	0.7
79.05470	4.8
81.03397	1.1
81.07034	2.8
83.08603	3.8
85.02900	1.9
85.10190	0.9
88.07607	11.3
89.07954	2.1
91.03943	2.3
91.05463	5.5
93.07025	2.8
95.04936	2.1
95.08596	1.6
97.02896	1.5
97.10152	1.6
98.21367	1.5
102.09157	3.4
103.05455	1.9
105.07006	1.9
106.08633	5.6
107.04926	2.0
107.09010	1.0
109.10147	1.0
115.05428	2.8
117.06980	2.7
119.04942	0.8
121.10142	1.0
128.06209	2.2
129.06995	3.4
131.08511	1.0
141.06935	4.4
145.06485	3.2
152.06204	2.4
153.06947	3.5
155.04898	6.9
155.06015	1.7
157.06447	1.2
165.06975	8.5
166.07809	2.9
167.08511	3.2
169.10208	1.0
178.07721	6.1
179.08557	5.2
180.09186	0.7
181.06519	1.8
189.06935	8.4
190.07690	4.6
191.08504	8.1
192.09116	0.9
193.10158	2.4
194.07166	0.9
195.08073	1.3
197.99590	1.1
202.07741	22.2
203.08516	18.3
204.09279	3.9
205.06468	1.2
205.10057	4.6
207.07988	1.8
207.11655	1.1
212.17831	0.8
215.08524	33.6
216.09302	17.2
217.10101	14.0
218.07178	1.8
219.07976	3.1
219.11697	1.6
221.09720	1.2
226.07761	6.0
227.08495	10.4
228.09265	12.5
229.10071	21.6
230.10883	8.0
231.08028	7.9
231.11604	10.1
232.08829	1.7
233.09653	2.3
239.08493	12.1
240.09305	7.7
241.10065	15.7
242.07243	1.4
242.10805	4.1
243.07951	6.5
243.11650	8.0
244.08893	3.8
244.12373	2.4
245.09569	7.8
245.13338	4.2
246.10399	1.8
247.11000	1.0
252.09273	3.3
253.10129	5.3
254.10805	3.2
255.11656	6.6
256.08612	1.2
257.09570	11.9
257.13190	2.1
258.10303	9.5
259.11154	10.6
267.11618	1.9
269.13330	1.2
271.11115	4.1
271.14557	1.0
272.00577	1.5
272.11899	3.9
273.12756	6.2
281.13174	0.9
285.12741	1.3
286.13483	1.6
287.14246	1.0
301.15265	1.0
316.17834	0.8
329.19083	1.5
329.22568	7.6
339.21094	6.1
339.34393	5.8
356.35245	5.1
357.22052	100.0
357.35489	88.8
358.22382	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	357.1327
Annotation	Vitedoin A
Peak:m/z	Relative Intensity
54.61621	2.1
55.01869	18.8
57.82899	2.5
64.94155	2.1
65.03919	3.4
68.63055	2.4
70.06570	3.5
70.19183	9.1
70.19599	4.2
79.05469	7.3
81.07053	12.0
85.85841	2.4
91.05462	10.0
93.07023	9.3
93.31997	2.5
94.04191	5.0
95.04947	4.1
97.06503	2.6
102.96701	2.3
103.05463	3.7
103.64928	1.9
105.06996	6.4
107.08561	5.1
109.06487	4.9
109.25053	2.7
111.04443	5.6
115.05420	5.8
119.08536	2.5
121.06465	3.0
121.10149	2.6
122.03673	11.8
125.05915	6.1
131.04893	6.2
133.10130	3.3
137.05957	100.0
139.11090	2.3
141.56058	2.1
145.10039	4.2
146.03625	6.1
147.04366	4.6
149.05936	3.5
151.03854	3.6
153.05441	3.5
155.04892	3.4
159.08008	2.9
159.11685	2.5
161.05959	19.4
162.06720	6.8
165.05444	32.1
165.06883	3.1
172.05165	3.6
175.07556	9.1
177.05470	15.0
187.07474	5.7
189.06963	6.5
190.07777	7.1
191.08542	9.2
195.06444	6.5
198.29996	2.5
201.03755	2.3
202.07658	5.2
203.06998	6.9
203.08585	3.0
205.06525	2.9
206.07263	3.1
207.08002	10.3
208.08714	4.3
215.07033	12.4
217.06396	5.6
218.07208	14.0
219.08043	21.3
219.11072	2.1
221.05876	3.5
223.07550	4.8
224.08322	2.6
229.06424	5.3
231.08051	2.8
233.05789	2.9
234.06679	8.2
235.07500	14.0
236.08334	7.4
245.05951	3.4
246.06821	14.1
247.07529	23.2
248.08145	3.4
249.09067	9.7
251.07043	3.1
251.10669	5.2
257.05905	6.7
259.07645	2.4
261.08975	22.6
262.06339	2.9
263.06940	12.9
264.07620	12.3
265.08426	6.4
267.10040	5.0
269.07983	2.7
274.06113	12.7
275.07028	12.6
276.07693	5.2
277.08490	22.3
278.09216	5.8
279.10193	12.3
280.11011	2.4
289.08542	38.6
290.09229	8.5
291.06522	4.3
292.07025	3.6
293.08054	3.6
294.08737	6.3
295.09589	5.9
306.08942	10.7
307.09604	79.1
308.10135	5.8
309.11081	20.9
311.12662	4.0
312.50604	3.0
321.11172	57.3
322.11859	4.2
327.12225	26.4
339.12228	40.9
357.13394	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	357.1327
Annotation	Vitedoin A
Peak:m/z	Relative Intensity
53.03917	2.0
55.01863	23.9
55.05484	4.8
57.03430	3.5
59.04977	2.3
61.02900	2.8
65.03915	3.9
67.05495	10.4
69.03398	8.1
69.07059	11.6
70.06585	14.9
70.08529	7.1
70.08947	4.3
71.04977	5.0
72.08139	6.7
79.05496	10.4
81.03396	10.8
81.07039	16.3
83.04968	6.0
84.04469	3.9
84.08121	9.0
85.02882	8.1
86.06102	2.3
86.09701	13.2
86.35303	2.2
87.00817	4.9
91.05463	15.8
93.07057	12.9
94.04163	2.7
95.04948	10.6
95.08594	11.4
97.02872	7.8
97.06519	4.6
97.49541	1.9
98.03193	2.4
98.09656	2.4
98.20793	2.6
98.97575	2.5
99.04463	3.0
99.08077	2.9
103.05457	8.0
105.01856	2.0
105.07031	14.3
107.04916	7.3
107.08572	9.5
109.02856	7.9
109.06499	12.4
109.07831	1.9
109.10114	8.9
111.04427	12.3
111.46381	2.4
114.09128	9.2
115.03865	3.0
115.05407	7.6
116.04260	2.7
116.10694	5.0
117.07016	5.5
118.06521	2.2
119.08550	5.2
120.04446	2.0
120.08113	4.4
121.06457	4.9
121.10115	8.5
121.77703	2.0
122.03635	12.6
123.08070	2.5
123.11706	3.8
125.05950	3.6
127.03884	4.2
129.10207	5.0
130.06465	3.9
131.04919	11.1
131.08527	6.9
132.04402	4.2
133.04807	3.5
133.06433	5.6
133.10110	3.2
135.04301	2.7
135.06339	2.5
135.11652	3.7
137.05957	100.0
137.09607	2.9
143.04890	4.8
145.02802	2.7
145.04898	2.9
145.06421	3.7
145.10083	3.1
146.03564	6.2
147.04372	7.3
149.05945	9.0
149.09630	3.0
149.13252	2.6
151.03848	5.6
151.05792	2.9
151.11183	4.3
153.05431	5.7
155.04880	3.9
159.08018	4.5
159.11728	2.5
161.05946	27.0
161.09528	3.1
162.06715	6.4
163.07492	6.3
165.05470	42.0
165.06839	5.2
167.07007	4.3
167.08435	2.2
171.04428	3.6
171.06293	4.0
175.07516	8.0
177.05463	21.2
177.06905	3.1
177.09056	4.6
178.07680	2.6
179.08522	5.9
183.04375	3.1
187.07524	5.6
189.05447	3.4
189.07039	9.1
190.07707	12.5
191.08508	14.9
195.06458	9.7
195.08054	2.8
198.14854	4.4
199.05843	7.2
199.18098	3.0
202.07719	5.7
203.07033	9.4
204.06546	3.0
205.06525	5.8
206.07191	3.9
207.06340	3.0
207.08035	7.7
208.08864	2.9
215.06932	12.0
217.06718	14.3
218.07220	23.6
219.08031	28.9
220.08833	2.1
221.05902	7.6
226.14334	8.3
229.06366	9.6
233.09686	4.1
234.06755	9.4
235.07594	24.3
236.08333	9.9
237.08995	5.7
244.15472	17.2
245.05869	3.7
246.06709	19.5
247.07498	36.7
248.08221	8.0
249.05449	3.1
249.09065	12.1
250.06221	2.3
251.07089	5.1
251.10626	6.2
252.07799	3.3
253.08597	4.1
257.05780	9.8
258.06802	3.3
259.07486	4.3
261.09097	33.3
262.06238	5.8
263.06934	15.6
264.07751	16.7
265.08426	5.7
267.10168	6.2
274.06299	13.6
275.07010	16.2
276.07596	3.7
277.08536	26.4
278.09344	11.0
279.06815	4.1
279.10080	17.4
281.07886	5.0
289.08542	56.1
290.09186	13.5
291.06503	4.9
292.07214	7.4
293.07956	3.2
293.11703	3.0
294.08759	8.7
294.16910	3.0
295.09579	7.6
297.11288	2.7
306.08841	8.4
307.09570	93.2
308.10104	9.1
309.07669	3.9
309.11066	23.1
311.12833	3.5
321.11172	80.6
322.11490	4.8
324.09625	2.4
327.12244	27.3
339.08859	3.4
339.12234	56.5
339.16238	2.7
340.12457	3.8
340.20773	2.4
357.09564	3.3
357.13251	8.9
357.19623	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1326
Annotation	Vitedoin A
Peak:m/z	Relative Intensity
50.08981	1.4
55.01623	1.6
55.01864	19.3
55.05481	1.7
60.74644	1.3
65.03934	3.5
66.25161	1.3
67.05473	2.8
68.47812	1.3
72.08136	1.5
77.89156	1.4
79.05463	6.7
79.97953	1.4
81.03409	2.3
81.07037	4.9
83.06073	8.8
86.87785	1.7
91.05458	7.1
93.03365	2.3
93.04511	3.1
93.07027	2.6
94.04159	6.8
94.04798	2.4
94.37100	1.4
95.04903	2.0
95.06074	6.6
95.08590	2.5
96.06413	3.7
97.02820	1.6
97.06527	1.9
103.05428	4.1
105.07006	5.3
107.04942	3.2
109.06496	3.6
110.07146	63.5
111.04436	7.6
111.06818	3.6
111.07478	21.4
115.05462	7.7
117.03361	2.9
117.06992	1.5
119.76546	1.3
121.06463	2.0
122.03626	12.5
125.05959	4.2
129.94330	1.5
131.04916	7.1
133.06488	3.1
137.05963	78.4
140.62633	1.4
142.31969	1.3
143.04872	5.7
144.05672	2.7
145.02783	2.5
145.06511	2.8
146.03593	4.5
147.04420	4.8
149.05946	5.4
151.03891	2.5
153.05423	3.3
155.04877	7.6
156.07643	9.7
157.07983	4.4
157.27971	1.4
160.05164	3.1
161.05945	22.0
162.06769	7.1
163.07504	3.0
165.05478	36.4
165.06918	4.2
171.04382	3.4
172.05226	3.8
175.07477	8.3
177.05444	14.3
177.06865	2.1
177.12621	1.7
177.78127	1.4
178.07837	1.5
179.08478	3.8
183.04321	3.5
185.06026	1.5
187.05446	1.4
187.07513	6.7
188.04871	1.5
189.06911	10.5
190.07762	12.4
191.08516	16.7
193.06474	2.2
201.07022	3.0
202.07727	4.1
203.07008	5.8
205.06487	4.9
206.07201	2.5
207.08083	12.7
208.08861	7.1
215.06912	9.7
217.06474	3.8
218.07242	23.9
219.08014	33.9
220.05188	1.5
220.08606	4.2
220.82048	1.6
221.05956	4.1
222.06543	1.7
223.07529	2.3
224.08310	2.0
225.09126	1.9
229.06429	11.2
230.07059	3.4
231.07979	5.2
233.06010	3.5
233.09489	4.2
234.06680	9.6
235.07501	18.9
236.08273	7.9
237.05353	2.7
237.09015	3.5
245.05962	5.6
246.06764	19.4
247.07497	33.5
248.08144	6.7
248.21968	3.9
249.05362	3.0
249.09094	11.5
250.06163	2.9
250.09923	3.4
251.07024	3.9
251.10591	4.3
252.07732	4.1
253.08566	4.8
257.06046	10.2
258.06549	2.2
259.07492	2.7
261.09048	35.7
261.11627	2.9
262.06262	7.9
262.09415	2.6
263.06964	19.0
264.07724	16.1
265.08548	6.6
266.09161	1.7
267.10211	5.5
269.08194	3.2
273.05515	1.6
274.06192	14.1
275.06985	16.5
275.10004	2.5
276.07663	2.9
277.08533	22.4
278.09338	8.8
279.06818	2.4
279.10135	21.6
289.08536	53.0
290.09259	7.1
291.06448	6.4
292.07214	6.2
293.07968	2.3
293.11682	2.7
293.24185	6.2
294.08899	7.3
295.09589	6.8
296.10526	2.0
306.08804	12.6
307.09598	100.0
308.10092	7.5
309.07455	4.3
309.11182	16.9
311.12759	2.3
311.25183	6.5
321.11163	86.8
322.11493	6.4
324.09988	2.3
327.12192	29.0
328.12790	2.3
339.12225	60.8
339.24350	8.6
340.12488	3.4
357.13873	8.8
357.21106	3.2
357.25690	83.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1172
Annotation	Juglanoside D
Peak:m/z	Relative Intensity
52.18894	0.3
59.97025	0.3
68.99770	1.3
69.03403	0.6
69.69072	1.6
77.25426	0.3
79.05494	0.3
81.03383	0.3
81.07026	1.4
85.02885	0.9
87.41792	0.3
91.05428	0.4
97.02912	0.3
103.05441	0.9
107.04923	1.1
115.10853	0.2
121.06489	3.1
123.04439	0.2
125.05957	3.9
127.03925	0.4
149.05952	23.7
150.06290	1.1
161.05946	0.4
167.06998	8.3
177.05438	45.5
178.05783	1.5
195.06496	100.0
196.06836	3.3
357.11746	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.2789
Annotation	Unknow
Peak:m/z	Relative Intensity
62.06069	24.3
67.05483	40.9
69.07067	21.8
69.99529	72.3
70.06543	18.5
79.05505	19.1
81.07035	29.2
83.06081	34.4
84.04491	17.0
84.08132	49.2
85.02920	13.3
86.06025	17.5
93.07008	23.4
95.04969	18.2
95.08582	27.9
105.06985	21.1
109.10068	20.6
110.07150	97.6
111.05517	81.0
124.07646	39.1
128.07089	18.0
131.01421	14.7
137.05952	22.3
159.08202	19.9
162.06741	22.1
165.80130	15.5
204.42749	15.4
218.80502	18.0
232.07172	14.4
241.08600	37.9
255.09978	19.7
271.09332	16.0
292.19064	49.3
307.06223	18.5
313.24774	38.4
339.26465	65.8
356.12469	54.2
356.16760	17.1
356.24963	100.0
357.20703	18.7
357.27109	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	356.2538
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	1.9
56.05019	0.6
57.03419	0.4
57.07055	0.7
59.04986	1.0
61.02909	1.4
67.05489	3.9
67.95488	0.5
68.04996	0.6
69.03410	0.6
69.07044	3.2
70.00926	1.8
70.06572	1.6
71.04990	2.0
72.08140	0.5
72.93803	0.4
76.96966	0.4
79.05462	1.4
81.03390	0.6
81.04523	0.6
81.07034	4.0
82.05293	0.9
83.06083	9.3
83.06586	0.5
83.08596	1.4
84.04487	0.8
84.06427	0.4
84.08112	1.4
85.06511	0.5
86.09680	0.6
91.05444	0.9
93.04505	5.5
93.07012	1.8
94.06513	0.4
95.04999	0.5
95.06070	10.1
95.08588	5.5
97.06500	0.5
97.10165	0.4
105.07014	0.9
107.04921	0.7
107.06033	2.3
107.08569	0.7
109.02873	0.5
109.07592	0.4
109.10130	1.9
110.07138	100.0
111.05559	1.5
111.07484	2.2
111.22440	0.4
112.08688	1.6
119.06036	0.5
121.07619	1.1
123.11760	0.5
131.04819	0.4
131.08650	0.4
137.05937	0.7
139.05022	0.5
156.07652	21.2
166.06110	0.9
177.05388	0.5
182.15331	0.4
195.06493	0.6
211.15097	1.0
233.20074	24.1
234.20265	1.4
250.22546	0.6
260.21164	2.9
278.22250	3.3
280.23740	0.9
289.19113	0.9
303.23117	0.5
306.21555	2.4
310.24805	2.5
312.01407	0.5
321.24518	0.5
324.22693	7.3
325.06970	0.9
325.22928	0.5
338.24380	11.2
339.24716	1.2
356.25354	76.0
357.13757	0.4
357.20786	0.8
357.25659	5.5
359.03531	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.32
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40118	4.2
53.99461	4.3
55.05504	68.2
57.07072	28.4
67.05494	50.3
69.07062	100.0
69.71481	29.0
71.08623	19.6
79.05474	24.4
81.07043	77.3
83.08610	75.5
85.10155	11.3
91.05482	15.4
93.07047	32.6
95.08589	77.6
97.06513	12.4
97.10161	78.9
105.07007	13.1
107.08590	19.1
109.10145	35.0
111.08059	6.1
111.11698	33.0
119.08577	13.5
121.10152	38.0
123.11710	17.2
125.09589	8.1
125.13275	12.5
133.10143	20.6
135.11674	24.0
137.09593	8.7
137.13220	9.8
147.11659	12.6
149.13211	10.0
151.11211	8.9
161.13275	11.0
165.12642	6.6
175.14795	13.6
179.14311	9.7
183.17317	5.4
189.16342	6.3
193.15828	6.2
203.17940	7.6
205.19475	5.3
207.17497	6.5
217.19650	6.1
245.22685	4.8
298.20901	4.9
301.28806	26.5
304.11786	5.6
319.29907	26.7
337.31003	14.4
355.22363	5.5
355.27417	5.9
355.33704	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	355.2834
Annotation	2-Linoleoyl Glycerol
Peak:m/z	Relative Intensity
51.78852	1.3
55.01865	1.8
55.05499	29.1
57.03420	9.2
57.07060	12.0
65.03925	2.7
65.16286	1.3
67.05492	77.6
67.37283	1.6
68.05804	1.7
69.07055	35.6
70.06572	2.0
70.80103	1.4
70.80432	3.4
71.04967	2.3
71.08606	6.3
78.43069	1.4
79.05476	25.5
79.05901	2.8
81.07040	100.0
83.08133	2.0
83.08606	27.7
85.06521	4.0
85.10184	2.1
88.07623	2.3
91.05463	18.5
93.07024	27.4
95.04957	2.7
95.08588	81.7
96.08903	1.8
97.06512	7.8
97.10152	18.7
99.08051	4.2
105.07012	14.4
105.97024	1.3
107.04920	1.8
107.08562	19.1
109.10134	43.0
111.08041	6.2
111.11699	6.0
113.09631	2.1
119.08547	19.7
121.10126	27.7
122.10518	2.0
123.11685	21.2
125.09652	1.5
125.13245	1.5
129.05470	1.8
133.10094	18.4
135.11671	17.7
137.09546	2.2
137.13219	7.0
139.11171	1.7
141.12733	3.9
147.11667	12.3
149.13234	12.6
151.11192	2.3
151.14807	7.2
155.14259	2.9
161.13206	16.6
163.14769	13.4
165.16345	6.6
166.50038	1.5
167.14363	1.6
175.14789	13.3
177.16318	1.6
179.14345	1.9
179.17902	7.2
189.16296	5.5
203.17853	1.9
245.22604	51.5
263.23645	58.6
264.23871	2.5
265.25058	2.5
281.24637	2.3
337.27292	41.1
338.27646	2.6
355.24338	2.6
355.28363	14.5
355.33951	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	356.1909
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.4
53.25740	0.7
54.02555	0.8
55.01864	1.4
55.05494	2.3
57.03429	7.1
57.07050	1.9
58.99594	0.9
59.04987	0.6
61.02909	1.9
62.06079	0.8
66.66911	0.7
67.05484	3.5
69.03419	4.1
69.07044	2.0
70.02945	0.9
70.06583	4.7
71.04973	1.8
71.62542	1.1
72.08149	1.2
73.02910	0.9
76.73632	0.6
79.05481	2.6
81.03403	3.8
81.07040	1.9
83.04971	1.8
83.06021	0.8
84.04501	1.8
84.08125	3.3
85.02422	1.1
85.02898	17.9
85.06538	1.7
85.10165	6.6
86.03220	0.7
86.06052	2.4
86.09678	4.9
87.04439	0.8
88.03985	7.0
91.03951	0.6
91.05464	2.5
93.03358	0.8
93.07030	1.7
95.04938	1.8
95.06044	0.8
95.08593	47.3
96.08123	1.7
96.08935	1.4
97.01096	1.8
97.02867	3.9
97.06499	1.4
98.06033	0.7
99.04453	3.8
101.00182	0.7
102.05540	0.8
103.05474	0.8
105.03390	3.8
105.07011	1.2
106.03709	2.0
107.04929	1.1
107.08610	1.0
108.86351	0.6
109.02857	3.0
110.06040	0.9
110.07155	3.0
113.09628	68.6
114.09954	1.5
114.32327	0.7
115.03927	0.6
115.05445	0.9
115.08636	0.7
119.04921	3.1
120.08080	1.5
123.08045	6.5
124.07561	2.6
127.03908	3.8
128.06178	1.6
128.07047	1.6
129.06973	2.3
129.10260	0.9
130.05002	0.9
130.06511	0.7
131.10661	100.0
132.10109	1.1
132.10994	1.7
135.04359	1.6
137.05937	2.2
140.10670	0.7
141.06956	1.1
141.09064	4.8
142.08621	3.5
143.08617	1.4
145.04980	3.1
145.06430	1.0
147.02629	1.1
147.04408	9.6
149.05963	1.2
151.11179	0.7
152.07059	2.4
153.06987	1.1
155.04782	0.7
155.08546	0.9
159.04437	5.1
159.10156	1.3
163.03868	1.2
163.07512	1.1
164.04176	1.3
168.08066	0.7
169.12193	0.8
170.08199	1.2
170.09613	1.5
172.03326	1.2
173.04161	1.8
173.05984	1.4
177.05441	23.5
177.11198	35.8
178.05785	1.0
179.06931	0.8
180.07361	0.8
185.04054	1.1
188.09158	8.4
189.03745	0.9
191.07091	0.9
194.15393	3.1
195.06473	2.8
195.10167	1.7
207.06500	1.4
212.16447	17.5
214.06700	0.8
215.07004	0.9
215.13800	1.1
217.08519	0.8
219.06517	2.2
221.05034	1.6
224.59016	0.8
234.05998	0.7
237.07686	1.9
242.13763	1.4
248.07550	0.9
260.46994	0.8
261.07608	1.2
273.07553	0.9
274.09045	1.7
285.07590	1.2
291.08850	0.7
295.15421	1.5
306.07993	0.8
320.09485	3.3
321.04605	0.7
338.10806	1.5
338.19696	1.0
356.11011	0.7
356.20749	4.9
356.25259	1.5
357.13202	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2837
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.1
55.01864	2.1
55.05257	2.5
55.05505	29.7
57.03433	10.0
57.07064	18.0
65.03916	2.0
67.05497	73.2
69.07062	37.1
69.36753	5.7
69.37175	12.2
71.04989	2.7
71.08630	9.5
79.05488	22.4
81.07048	100.0
83.04971	2.3
83.08612	30.2
85.06519	3.1
85.10169	5.0
88.07645	3.2
91.05452	19.8
93.07033	30.6
95.04939	1.7
95.08595	82.9
96.08921	3.2
97.06516	10.0
97.10149	19.0
99.08063	5.4
103.62444	1.7
105.07032	15.7
107.08584	22.3
109.09451	2.8
109.10141	42.9
110.10452	2.0
111.08071	4.5
111.11704	6.7
113.09645	2.9
119.08568	17.5
121.10143	26.9
123.11688	25.1
125.09590	3.7
125.13247	2.1
131.08545	1.7
133.10109	19.9
135.11678	14.6
137.09602	3.3
137.13206	12.6
141.12726	3.0
147.11690	11.9
149.13245	13.9
151.11189	2.5
151.14799	8.0
155.14288	2.5
161.13254	11.2
162.66188	1.8
163.03911	2.1
163.14821	14.2
165.16405	9.0
175.14789	13.3
177.16351	2.8
179.14311	1.8
179.17929	7.5
188.92493	2.1
189.16342	3.5
217.19514	1.8
245.22623	57.6
246.22873	3.5
247.24304	2.2
263.20508	3.6
263.23666	67.3
265.25171	2.2
281.24799	2.1
285.01053	2.5
337.27332	38.8
338.27676	3.0
340.61932	1.9
355.07126	2.0
355.28198	7.4
356.35287	17.9
357.75067	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2836
Annotation	2-Linoleoyl Glycerol
Peak:m/z	Relative Intensity
53.03934	2.2
53.50227	1.4
55.01842	3.3
55.05251	2.5
55.05500	27.4
57.03435	8.8
57.07067	14.7
65.03918	2.0
66.09251	1.4
67.05493	81.1
69.07055	38.4
70.06574	4.4
70.07375	1.8
70.25081	7.0
71.04971	2.8
71.08620	7.6
71.81248	1.7
79.05052	2.1
79.05477	28.5
81.07046	100.0
82.07349	1.7
83.04950	2.6
83.08141	2.2
83.08604	25.8
85.06522	2.7
85.10146	5.5
86.41223	1.6
88.07592	3.8
91.05461	21.5
93.07025	29.6
95.04977	2.2
95.08591	85.7
97.06535	10.1
97.10167	18.4
99.08083	4.3
105.07014	14.2
106.08649	4.3
107.08569	22.4
109.09448	3.1
109.10143	43.6
111.08033	6.1
111.11702	6.8
113.09567	1.9
119.08563	14.9
121.10121	27.4
123.08076	2.0
123.11693	25.5
125.13225	2.5
127.11117	2.6
129.05482	3.6
133.10109	19.9
135.11664	16.8
137.09636	2.7
137.13219	8.6
139.11156	1.8
141.12689	3.7
147.11662	13.3
149.13237	16.1
151.14813	7.3
155.14282	2.7
161.13242	13.9
163.14856	10.7
165.16360	7.6
167.14313	2.3
175.14812	12.5
177.16316	4.0
179.14276	1.8
179.17929	5.2
189.16391	5.5
203.17963	2.5
207.17328	2.4
224.85568	1.6
227.12799	2.5
245.22615	54.0
246.23018	3.6
247.24199	1.9
263.23669	62.8
264.24036	3.2
265.25168	2.6
273.22571	1.5
337.27319	47.2
338.27673	3.0
338.34189	1.6
355.28336	11.6
355.33466	2.5
356.28571	2.0
356.35135	39.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2835
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	22.1
55.85009	1.6
57.03413	6.5
57.07064	13.8
67.05492	82.4
68.37938	1.5
69.06715	2.3
69.07056	34.6
70.33431	5.0
71.04982	2.5
71.08620	7.6
72.08165	1.5
79.05476	23.8
80.54405	1.5
81.07040	100.0
82.07375	1.8
83.04948	2.7
83.08606	28.6
83.62750	1.4
85.06517	3.2
85.10143	4.2
91.05451	18.4
93.07026	31.1
95.04936	2.0
95.08587	92.5
96.08948	1.5
97.06506	6.4
97.10139	19.3
99.08044	3.9
105.07008	13.3
107.08570	22.8
109.06486	2.3
109.10133	51.2
111.08065	4.8
111.11697	5.7
113.09615	2.3
119.08555	16.3
121.06418	1.6
121.10114	33.4
123.11676	27.4
125.09600	2.8
125.13241	2.3
129.05446	1.7
132.23834	1.7
133.10109	19.5
134.10547	1.5
135.11684	15.6
137.09570	2.5
137.13214	12.5
141.12720	2.8
146.50050	1.4
147.11641	12.2
149.13222	18.3
151.11162	2.4
151.14793	7.2
155.14249	1.5
155.32442	1.5
161.13234	17.1
163.14774	14.3
165.12730	2.8
165.15181	1.6
165.16362	9.3
167.14272	2.5
175.14760	12.4
177.16367	2.5
179.17896	8.7
181.15839	1.9
189.16328	5.7
203.17894	2.3
207.17450	2.2
221.18965	1.5
245.22603	61.0
246.22896	4.2
247.24057	2.2
263.23654	70.4
264.24020	4.2
265.25162	2.4
337.27264	38.0
337.31061	2.5
338.27573	3.0
355.23987	2.8
355.28207	27.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2837
Annotation	2-Linoleoyl Glycerol
Peak:m/z	Relative Intensity
53.03936	1.9
55.01846	2.2
55.05257	1.9
55.05508	27.9
57.03429	8.6
57.07073	12.5
61.98175	1.0
65.03941	2.6
67.05497	90.2
68.05795	1.7
69.03429	1.4
69.07060	37.9
69.58795	1.6
69.59208	6.5
71.04975	3.0
71.08620	8.8
73.02875	1.0
75.04481	1.7
79.05480	24.7
81.07047	100.0
83.04976	3.0
83.08610	29.7
85.06525	4.0
85.10165	4.3
88.10418	0.8
91.05466	22.0
92.05790	1.4
93.07035	29.4
95.04936	3.0
95.08593	83.3
97.06528	10.4
97.10163	19.6
99.08085	5.2
102.84144	0.9
103.03888	1.5
105.07025	14.1
105.58981	1.1
107.08585	20.5
109.06482	2.3
109.10137	45.4
111.08070	4.0
111.11686	6.3
113.09646	2.1
118.06528	4.0
119.06855	2.8
119.08556	15.4
121.10123	25.8
123.08028	1.5
123.11696	25.1
125.09653	2.5
125.13264	2.6
127.07543	1.7
127.11188	1.8
129.05426	2.9
133.10123	18.9
135.11696	14.1
137.09605	2.3
137.13246	10.4
139.11159	1.5
141.12740	2.8
147.11673	12.3
149.13239	14.0
151.11198	2.6
151.14807	7.2
153.09149	1.8
155.14279	3.1
157.64333	1.0
161.13245	14.9
161.14549	1.4
163.03928	1.4
163.14787	13.3
165.12758	2.1
165.16388	8.7
167.14302	1.9
171.10143	2.9
175.14828	12.0
177.16411	3.2
179.14420	1.3
179.17920	4.7
181.15802	1.5
189.16341	5.9
191.17877	1.2
203.17957	1.5
207.17375	1.1
217.19398	1.4
236.23628	1.0
245.22618	55.7
246.22971	2.6
247.24290	1.3
263.23676	62.0
264.24066	2.3
265.25256	2.1
281.24835	1.8
323.10928	3.2
337.27322	44.2
338.27603	2.4
355.13617	3.1
355.28281	18.5
372.80432	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2107
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	22.0
55.31685	6.9
57.03409	18.0
57.07066	38.8
61.02904	7.0
67.05484	36.4
69.03420	13.9
69.07047	23.5
70.51259	23.7
73.02908	13.8
79.05476	24.5
81.07043	60.8
83.04951	8.6
83.08611	17.1
85.02895	17.5
85.06511	23.4
89.85525	7.3
91.05449	22.8
93.07014	22.3
93.42202	8.5
95.04967	11.1
95.08591	32.1
97.06498	10.9
99.08078	16.6
103.03927	14.3
105.07018	18.4
107.08575	24.1
109.06489	27.3
109.10135	12.6
111.04423	9.1
111.08068	51.4
118.06550	21.7
119.06860	19.2
123.11713	7.7
127.07540	27.8
129.09052	7.5
133.10088	18.7
135.08028	11.6
149.09589	14.6
153.09085	32.4
163.03893	14.3
171.10143	59.6
189.11136	13.7
207.12254	14.4
245.22552	14.4
263.23676	22.1
271.88608	7.5
285.40082	8.9
355.13437	15.1
355.28091	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1193
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26507	0.7
55.01851	2.0
55.05489	2.4
55.93510	3.9
56.94288	4.3
57.03428	0.8
63.94693	0.7
67.05489	6.2
67.28237	0.9
68.35930	0.7
68.82003	0.7
68.94317	0.9
69.03407	1.2
69.07057	9.9
69.47150	4.3
69.47569	3.4
70.95849	8.7
71.04980	0.8
71.93009	2.0
72.93387	1.7
72.93769	24.5
78.13356	0.8
79.05471	7.6
81.03383	4.7
81.06643	0.9
81.07043	11.8
83.04951	1.3
83.08607	1.3
84.08107	1.6
85.02882	1.2
86.09632	0.8
88.96883	3.8
89.64014	0.9
89.94025	1.6
90.94810	14.5
91.05365	5.3
93.07024	4.2
95.04922	1.7
95.08558	2.6
97.02881	0.8
97.06470	1.8
102.94786	1.3
105.07005	4.3
107.04898	1.6
107.08551	2.7
108.95850	6.1
109.06459	2.1
109.10114	2.0
110.07100	1.1
111.98576	0.8
113.96368	1.9
115.05411	0.9
116.96315	2.5
117.06976	2.4
118.94282	1.3
119.08522	3.0
121.10107	2.0
125.96081	0.9
126.98381	3.4
128.96310	7.2
129.06973	1.5
130.97856	2.7
131.04884	0.9
131.08549	1.2
132.95805	2.0
134.97353	2.9
134.98897	1.2
136.95290	2.1
137.05936	2.6
137.09491	0.9
138.98387	8.6
140.96368	1.3
142.97855	2.1
144.95811	2.9
144.99409	3.2
145.10114	1.1
146.97336	5.4
146.98882	1.0
148.98909	4.3
149.09531	1.3
150.96918	2.0
150.98370	3.1
152.96327	1.8
152.99895	2.0
154.97838	3.7
156.99426	2.7
158.97345	2.3
159.01006	2.1
160.98918	1.1
161.05948	1.5
162.96829	3.9
163.03886	1.9
164.98749	1.0
164.99945	6.2
165.03568	1.1
165.09068	0.9
165.97079	1.7
166.97862	5.2
168.99397	3.7
169.98949	1.1
170.97380	2.9
171.00989	2.8
172.98923	5.5
173.02490	1.2
175.00592	1.5
175.02011	2.5
176.98468	1.1
176.99911	2.1
178.97874	4.0
179.01468	1.6
180.99413	3.2
183.01080	1.5
183.11499	1.1
184.98894	3.7
185.02632	1.0
185.05849	0.9
187.00523	4.1
187.07500	1.5
188.98396	0.9
189.00009	4.0
189.01837	0.9
189.03630	1.0
190.07811	1.1
191.01534	1.4
191.08501	1.0
192.99422	5.4
193.03073	1.5
195.01050	1.7
196.98895	1.8
197.02588	1.1
199.00462	2.6
201.02095	4.6
204.99263	1.1
206.97218	0.9
207.00984	6.1
209.02542	3.1
211.00502	1.4
211.04140	1.1
213.02090	5.5
213.05444	3.7
214.99890	1.6
217.01534	2.8
219.00998	2.8
219.02963	1.6
219.07887	1.2
220.98866	1.4
221.02475	2.5
224.03560	1.0
225.02052	2.2
227.03505	2.1
229.05147	2.0
231.03137	2.2
233.00943	3.2
237.01959	4.2
239.03586	47.9
241.05142	2.5
243.03094	8.8
250.02739	0.9
251.10751	1.4
253.01463	1.1
255.03073	3.6
257.04654	100.0
258.04974	2.4
261.03940	1.1
262.05276	1.1
266.04758	1.5
267.03085	1.5
268.03870	1.4
275.05881	2.5
277.08386	1.3
279.10092	1.0
280.06290	17.5
285.04083	2.0
301.08832	1.6
307.46332	0.9
309.11319	1.1
311.12631	2.0
319.09848	33.1
320.10049	1.0
337.07266	1.4
337.10892	20.0
337.14233	1.5
355.07492	1.9
355.11865	28.7
355.15356	2.4
356.12213	1.2
356.25647	0.8
360.12485	2.7
378.13559	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1144
Annotation	Unknow
Peak:m/z	Relative Intensity
56.12373	1.1
64.34267	1.0
68.91657	0.9
70.08999	6.1
109.78263	1.0
110.35465	1.2
115.68214	1.0
117.03387	1.0
125.52084	1.0
131.48645	1.0
177.05493	2.0
185.05933	1.3
188.04712	6.1
203.07034	10.1
231.06514	4.0
253.04671	43.3
271.05713	1.5
294.07291	1.3
355.11465	100.0
356.11768	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	355.0371
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26162	1.0
51.66819	1.2
52.86437	1.2
55.05492	2.3
64.26991	1.1
67.05488	3.8
69.07059	1.8
70.06576	1.4
71.62518	1.6
81.04533	6.2
81.07030	5.1
83.04973	1.8
83.08630	1.8
91.05782	3.4
93.07035	1.8
95.06064	1.8
95.08594	2.6
97.06519	2.2
105.06984	1.4
107.08602	1.9
109.10141	1.7
110.07148	1.4
111.05495	2.1
113.07134	1.7
121.10134	1.9
127.05006	4.7
135.04358	1.5
137.05946	4.9
142.58850	1.3
147.11720	1.4
149.06007	1.5
163.03922	3.4
163.07497	1.4
171.04443	2.9
177.05415	2.2
185.83130	1.3
187.03918	4.1
216.99396	1.7
232.99004	1.8
244.98900	11.6
250.99901	1.7
254.97369	2.9
258.96979	1.8
260.98401	5.8
263.00021	9.7
272.98413	44.9
274.96231	1.6
276.23007	1.3
278.99478	8.5
285.00970	2.5
285.95401	1.7
286.96393	3.4
290.99475	91.1
291.99686	3.6
294.24152	4.5
296.00085	6.0
302.01294	1.6
304.97440	8.4
309.00537	49.4
310.00732	2.0
314.01053	100.0
315.01279	4.1
322.98465	3.5
332.02151	17.7
354.26752	2.5
355.03635	16.9
355.07211	1.8
355.25897	8.1
355.29938	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	354.3358
Annotation	Anandamide (20:l, n-9)
Peak:m/z	Relative Intensity
55.05257	0.9
55.05501	11.8
56.04998	1.5
57.05796	2.1
57.06823	1.0
57.07068	14.4
58.02938	1.8
58.06590	21.3
58.71106	0.8
60.04515	4.3
62.36512	0.8
65.48649	1.0
67.05490	8.5
69.07054	20.5
70.02939	4.3
70.06577	7.8
71.04976	1.4
71.08618	8.3
72.04483	3.1
74.06046	3.4
79.05434	2.1
81.07038	16.7
81.09573	1.0
82.06573	1.5
83.04957	2.4
83.08602	13.9
84.08132	6.1
85.10187	4.2
86.06050	5.9
87.06824	1.7
88.03972	0.9
89.94241	0.7
93.07004	2.3
95.08586	20.3
96.08060	1.0
97.06554	1.2
97.10151	8.6
97.29775	0.8
98.09660	1.6
100.07590	1.1
107.08575	1.2
109.06459	1.0
109.10144	8.1
111.08076	0.9
111.11706	4.9
115.79678	0.9
121.10124	0.9
122.09583	0.8
123.08003	1.2
123.11668	4.0
125.13253	1.8
126.09190	1.0
128.94270	0.9
129.56039	0.8
133.10138	1.1
135.11644	1.4
137.13226	1.8
194.43344	0.9
198.22139	1.1
268.30014	2.6
271.77942	0.9
294.31445	3.2
306.31326	4.1
307.29926	1.6
308.33044	5.7
318.31567	1.1
326.34042	6.1
336.32562	12.3
337.32019	0.8
354.33594	100.0
355.33990	7.0
378.09543	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.336
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16688	3.4
55.05499	67.7
57.07067	52.3
67.05493	45.8
69.07055	100.0
71.08611	34.4
72.04494	10.1
72.28080	3.4
79.05460	12.5
81.07039	81.3
82.07391	4.8
83.04971	4.5
83.08601	81.7
84.08914	3.7
85.06519	4.2
85.10161	12.3
86.06024	4.6
91.05452	13.7
93.07023	15.6
95.08580	77.0
97.06504	9.4
97.10146	72.2
99.08101	5.0
100.07605	5.6
103.07580	5.8
105.06987	15.2
107.08586	20.1
109.10124	37.9
111.08048	7.1
111.11671	36.1
118.06525	6.9
119.08550	16.0
121.10110	13.8
123.11700	18.5
125.09631	6.1
125.13223	12.6
133.10080	11.3
135.11664	11.3
136.79602	3.7
137.09584	4.9
137.13214	6.1
139.11147	5.3
147.11649	14.5
149.13203	10.0
151.14871	5.4
161.13208	13.3
163.14719	4.2
165.12674	4.5
165.16315	3.8
175.14742	6.2
177.16328	6.2
179.14308	5.2
189.16434	5.6
193.15891	9.0
199.07498	8.1
212.19942	6.9
221.18990	7.5
301.28864	16.4
319.29901	47.3
336.32614	29.9
337.30908	5.1
350.72803	4.5
354.25766	7.2
354.33545	42.1
354.40546	6.4
355.28088	5.3
355.31982	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	354.2631
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92290	1.5
55.01857	3.7
55.05281	1.7
55.05504	14.5
56.05027	17.9
57.03415	1.7
57.07056	8.6
60.04512	9.4
64.67538	1.5
67.05495	24.0
68.05016	2.5
69.06709	2.8
69.07060	37.5
70.06577	3.3
71.04968	1.6
71.08614	4.4
71.60593	1.8
71.60997	1.7
79.05486	11.4
80.05006	1.5
81.07050	20.9
82.06587	2.2
83.04971	3.3
83.08608	5.9
84.08140	2.2
86.06029	1.9
91.05408	8.7
93.07032	15.8
94.06549	3.3
94.07392	2.0
95.04940	3.2
95.08591	17.6
97.02872	3.8
97.06501	3.3
97.10139	5.2
99.08086	3.0
100.11243	2.0
104.07079	2.5
105.07001	7.4
107.08579	8.4
109.06512	2.4
109.10138	22.0
111.11716	3.2
115.07558	7.2
117.07033	1.6
117.52817	1.5
119.08578	9.9
121.06447	3.6
121.10110	4.7
123.11712	4.6
125.09612	5.9
126.12804	1.7
131.00735	1.9
133.10095	3.4
135.11697	4.4
136.11203	3.9
137.09602	13.8
138.12746	2.1
140.14343	3.0
143.00706	4.5
145.10158	2.0
147.11641	4.7
149.13211	3.6
151.11130	2.7
152.03380	1.7
154.12250	100.0
155.12619	2.4
161.13161	2.3
165.12781	1.4
167.10664	5.7
168.08109	2.3
172.13300	56.9
173.11752	3.8
173.13518	2.3
177.12750	2.5
185.13257	1.6
196.13307	49.1
197.13571	2.2
197.46828	1.6
199.06956	15.1
202.05095	1.7
214.14305	15.0
240.10143	2.5
242.90012	1.6
250.09148	1.5
259.20547	4.6
276.23166	6.6
277.14328	3.0
277.21564	17.6
294.24237	30.0
295.22433	2.3
296.25839	5.7
308.25693	4.0
312.25290	2.3
333.15524	2.9
336.25201	10.8
354.10068	3.0
354.26685	70.7
354.33127	3.0
355.26700	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	354.2633
Annotation	Methyl tumonoate A
Peak:m/z	Relative Intensity
55.01868	1.4
55.05280	1.8
55.05503	14.1
56.05017	5.0
57.07071	2.3
60.04512	5.3
67.05497	19.4
67.55111	1.4
68.05010	1.5
69.03418	2.1
69.07059	7.0
70.06572	5.2
71.08620	3.2
71.62157	2.3
79.05477	15.9
80.05012	4.6
81.03427	2.9
81.07053	17.5
82.06573	4.9
83.04994	2.0
83.08608	8.6
84.08143	2.7
86.09691	2.7
91.05392	6.5
93.07028	18.8
94.06569	4.0
95.04977	4.0
95.08597	9.8
96.08102	3.0
97.02880	1.8
97.06514	5.5
97.10145	9.2
105.07035	8.2
107.04937	2.1
107.08578	15.5
108.08107	4.2
109.06519	1.8
109.10162	8.2
110.07151	3.6
111.05560	1.8
111.11613	1.4
114.12773	1.5
117.06984	2.1
119.08582	5.6
121.10149	4.7
123.11700	1.6
124.11179	2.0
125.09597	6.8
126.12799	3.0
126.66484	1.3
129.06937	2.2
131.08565	3.8
133.10120	4.2
135.11664	4.6
138.12769	4.3
140.14345	2.2
143.08539	1.8
147.11717	3.5
149.13260	3.7
150.12782	4.4
151.11108	2.0
152.14345	4.7
154.12207	1.6
161.13228	3.0
163.03906	5.0
163.11249	1.6
163.13593	1.7
164.14299	2.7
164.53755	1.2
166.15822	1.3
176.11957	1.4
176.14375	2.3
189.11255	4.2
192.13789	1.4
193.12352	1.3
213.05431	1.4
221.15300	1.6
222.14871	3.4
238.17914	1.7
246.22131	2.9
248.23705	2.2
249.22214	1.7
259.20581	11.9
274.21619	13.3
276.23172	33.4
277.21503	21.7
278.21722	2.2
292.22650	8.9
294.24249	100.0
295.24744	4.5
310.23734	2.5
318.24323	7.2
336.25259	12.5
337.14188	2.2
337.25195	2.7
354.26434	85.8
355.15421	3.4
355.26831	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	354.263
Annotation	Methyl tumonoate A
Peak:m/z	Relative Intensity
53.03924	2.4
55.01860	3.3
55.05498	17.3
56.05023	3.2
56.55970	1.5
57.03427	2.1
57.07060	3.7
59.84567	1.1
59.98751	1.4
60.04508	9.0
61.02913	11.8
67.05166	1.8
67.05495	27.5
68.05038	1.8
69.03407	4.6
69.07059	14.6
70.06553	3.5
71.08617	5.6
71.57009	1.3
71.57430	2.2
73.02904	4.3
74.78932	1.1
79.05478	16.2
80.04999	2.9
80.05814	1.4
81.03410	3.0
81.07041	31.4
82.06554	4.5
82.07385	1.9
83.04952	2.4
83.08604	11.4
84.04507	1.3
84.08138	1.5
85.02890	9.2
85.06512	1.9
90.94810	1.3
91.03935	10.6
91.05423	9.4
92.04293	1.4
93.07027	25.0
94.06553	4.6
95.04956	3.9
95.07352	3.0
95.08594	17.2
96.08095	3.2
96.08939	2.1
97.02872	7.7
97.06520	1.5
97.10163	11.9
98.09678	1.5
99.08072	5.7
100.11240	7.0
103.05448	1.5
105.07008	8.9
106.06554	1.7
106.07319	1.4
107.04945	3.1
107.08568	15.1
108.08145	1.5
108.08901	1.4
109.06515	2.2
109.10128	11.1
111.05559	2.5
111.08076	2.5
116.98509	1.7
119.08528	7.5
121.10093	8.2
122.09647	2.0
123.08089	1.7
123.11706	3.4
125.09608	6.9
125.65371	1.4
126.12720	2.0
127.03916	3.6
129.06964	1.3
130.99966	1.7
131.08588	2.1
133.10100	6.3
134.95871	1.6
135.07979	1.4
135.11636	7.5
137.09595	1.7
138.12784	4.7
140.14343	1.6
140.98421	1.5
143.08594	1.7
145.10147	3.0
147.11670	5.1
149.13235	5.4
150.12752	2.9
151.11148	3.8
152.14346	4.2
154.12244	3.2
159.11699	2.0
159.63420	1.2
161.13275	5.6
163.11180	2.6
163.13481	1.7
163.14795	1.8
164.14355	3.0
164.98506	1.5
165.12729	1.5
167.03539	1.3
171.11664	1.6
173.11728	2.8
173.13213	2.2
175.14804	1.8
177.12738	8.3
178.98550	1.4
179.14349	2.5
182.15388	1.2
188.04628	2.5
189.11234	3.0
190.98546	1.3
192.13762	2.2
203.06998	6.2
203.14238	1.3
206.15414	1.5
210.14940	2.0
231.06485	3.5
231.21063	1.7
241.19484	2.2
246.22224	2.7
253.04671	22.0
258.22394	1.9
259.20554	9.5
262.22562	4.1
274.21542	10.3
276.23187	31.8
277.21487	29.2
278.99847	1.2
292.22638	9.6
294.24225	100.0
295.22537	5.1
295.25098	2.9
309.02557	1.6
309.24237	1.8
310.03201	1.4
311.02838	2.1
318.24368	4.7
336.25180	17.6
354.26382	91.5
355.11450	53.9
355.19000	2.4
355.26822	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	354.1903
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.5
55.01847	1.8
55.05493	2.4
57.03434	1.2
67.05479	2.1
69.07052	11.9
70.06570	1.3
70.19091	4.4
74.09676	1.1
79.05468	3.7
81.03393	5.5
81.07034	2.7
83.04976	4.5
83.08614	1.2
84.08109	2.6
86.09689	100.0
87.09999	1.8
91.05440	12.6
93.07030	7.9
95.04936	3.4
95.06008	1.1
95.08538	1.2
96.08127	1.1
97.02870	1.0
97.06495	1.4
100.11223	4.2
103.05447	0.9
105.07006	5.0
107.04928	4.0
107.08582	3.5
109.02874	5.4
109.06519	1.8
110.07140	4.6
110.48739	0.9
115.05469	2.0
117.07001	29.3
118.07351	0.9
119.08567	6.0
121.10117	1.8
123.04401	7.8
128.06229	1.3
128.10680	8.8
131.08553	13.9
132.10165	6.2
133.06458	2.8
133.10094	4.0
135.08032	25.7
135.11554	1.1
141.06976	1.0
143.08540	1.9
145.06445	5.2
145.10190	1.1
149.06006	1.2
149.09584	5.4
156.10187	3.8
159.08026	11.3
161.05991	1.8
161.09576	2.0
161.80135	1.0
163.07518	17.5
169.06441	1.6
176.10718	1.8
177.09067	11.9
179.10898	1.1
181.08571	12.6
182.15315	1.2
187.07500	9.2
195.10143	1.5
205.08556	52.3
206.09003	1.6
210.14828	1.4
221.08047	4.8
222.11322	1.1
244.17003	3.2
246.18462	2.0
248.16402	1.4
262.18076	5.5
272.16525	1.9
273.11081	2.7
282.21249	1.6
290.17453	56.0
291.12033	2.8
291.17767	1.7
308.18512	46.1
309.13226	8.3
309.18768	1.4
314.00784	1.0
318.16678	1.1
323.08899	1.4
329.26892	1.0
336.18018	13.8
336.22144	1.8
354.19397	1.6
354.23532	5.6
355.07410	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.1753
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	4.7
55.01864	6.1
57.03424	6.0
60.04514	1.1
61.02917	4.8
61.82692	0.9
68.99784	2.4
69.03416	34.9
69.07052	1.4
69.29716	1.0
69.91473	6.0
70.06575	3.2
70.11787	0.9
71.04972	5.1
72.08133	1.3
73.02900	3.8
81.03407	16.2
84.04504	1.0
84.08121	2.5
85.02890	100.0
86.03220	1.9
86.09686	2.3
87.00816	41.6
91.03933	1.1
91.05414	1.7
97.02880	32.9
98.21428	1.8
99.04437	12.6
103.95126	1.0
105.01846	84.8
108.04494	2.9
109.02859	27.4
109.03575	2.0
115.03952	0.9
117.01831	1.8
119.08556	1.5
120.59656	0.9
127.03893	76.9
129.01813	2.4
137.05939	2.5
137.71741	1.1
145.04935	39.9
147.02870	2.4
153.01782	1.1
159.02852	12.8
163.03877	2.6
175.07594	1.2
177.03891	2.0
189.03954	4.2
206.88023	1.0
213.03876	3.3
230.06512	1.3
231.04953	25.6
248.07527	1.5
249.06020	11.8
319.13852	1.9
337.10568	1.2
355.07800	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	354.1755
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	4.1
55.01867	4.6
55.05499	1.2
57.03427	5.5
61.02917	6.3
63.19431	0.8
68.99770	2.8
69.03419	35.6
69.07043	3.1
69.98103	3.7
70.06575	2.0
71.04984	4.4
71.08614	0.9
73.02902	6.7
81.03406	21.4
83.04958	1.1
84.04485	0.9
84.08137	1.1
85.02893	100.0
86.03236	1.9
86.09669	2.2
87.00819	45.0
91.03929	2.3
96.30690	0.8
97.02877	29.5
97.06524	0.9
98.20797	1.0
99.04440	15.2
103.03907	1.1
105.01850	88.2
107.04951	0.7
108.04471	1.6
109.02865	31.0
117.01817	2.2
121.10148	1.1
126.05536	1.0
127.03899	77.5
129.01845	2.1
130.06493	2.4
133.06458	0.9
136.06169	2.6
137.05957	2.8
139.11157	2.0
145.04942	34.2
147.02838	2.3
157.12189	2.0
159.02873	11.7
161.05864	1.0
189.03929	3.4
193.04892	1.0
197.11737	1.2
198.47498	0.8
213.03920	4.4
231.04959	28.5
249.05980	9.8
266.08749	1.0
305.07980	1.3
319.13928	1.4
337.10892	1.3
355.11789	0.9
355.17175	1.1
374.64084	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.268
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
50.63916	1.1
51.62908	1.3
53.03922	2.2
55.05494	8.4
57.03414	4.0
57.07053	2.4
60.87994	1.2
62.46190	1.3
67.05493	64.2
68.05799	1.6
69.07068	9.4
69.49487	5.2
69.49913	6.8
71.04984	2.7
79.05044	2.5
79.05481	33.3
79.12713	1.1
81.07046	75.5
83.04959	1.7
83.08605	6.7
85.06540	1.7
90.55228	1.2
91.05458	19.5
93.07028	45.1
95.04939	3.2
95.08591	59.0
97.06509	1.9
97.10162	3.0
98.73145	1.4
99.08055	2.2
99.32173	1.5
100.41020	1.3
105.07008	12.9
107.08576	31.8
108.08866	1.8
109.06551	1.6
109.10142	25.1
111.08073	1.7
113.09645	2.7
117.06993	5.6
117.48093	1.3
119.08559	9.3
121.10131	27.9
122.10453	1.5
123.11687	16.8
125.09574	2.3
130.07776	1.5
131.08543	15.2
133.10092	11.0
135.11665	24.1
137.13231	6.6
145.10101	11.2
147.11650	10.9
149.13222	14.4
151.11118	1.4
151.14731	1.8
153.12711	1.4
159.11679	13.6
161.13263	9.4
163.14786	11.7
173.13213	12.5
175.14821	3.1
177.12614	1.7
177.16376	5.4
179.14261	1.9
187.14783	9.0
191.14238	1.5
201.16348	3.2
233.22501	3.2
242.42247	1.3
243.21043	24.0
244.21335	2.2
261.22107	100.0
262.22409	7.3
272.20547	1.3
273.40201	1.3
279.23151	3.2
335.25803	7.8
341.52203	1.4
353.26791	38.3
354.27191	3.1
360.12561	1.4
371.57028	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2679
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.4
55.05274	2.1
55.05502	12.5
57.03422	7.4
57.07061	7.8
59.30416	1.8
67.05495	91.2
68.05844	2.6
69.07056	10.3
69.84415	10.9
71.08610	2.5
77.03856	2.2
79.05478	36.1
81.07043	98.6
82.07363	2.7
83.08609	7.6
85.06502	2.4
87.92248	1.9
89.05982	2.3
91.05460	18.1
92.91214	1.8
93.07033	53.2
95.04926	4.6
95.08592	73.0
96.08929	2.1
97.06490	2.3
97.10163	4.7
105.07005	17.9
107.08566	29.3
109.10139	40.6
111.08016	2.0
117.06984	8.6
119.08565	13.0
121.06478	1.9
121.10131	34.6
123.08071	2.8
123.11697	17.4
125.09617	2.5
125.20678	1.9
131.08533	17.4
133.10098	14.3
135.11681	24.8
137.09573	2.4
137.13240	9.6
145.10123	13.3
147.11652	8.7
149.13254	16.0
150.13503	2.2
151.14790	3.0
159.11658	15.7
161.13245	8.9
163.14806	14.1
163.16072	2.1
165.12753	3.1
173.13248	14.2
175.14841	3.7
177.16396	4.9
187.14795	8.2
201.16328	3.1
203.28896	2.2
233.22682	4.5
243.21101	27.9
261.22110	100.0
262.22504	3.9
279.23169	6.5
307.06561	2.2
335.25854	16.9
353.26779	38.4
354.27206	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	353.2677
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	3.1
55.05498	15.1
57.03417	6.0
57.07061	4.8
57.14216	1.3
59.00191	1.5
65.03909	3.0
67.05492	92.5
68.05802	1.9
69.07055	14.1
70.54903	4.4
73.83543	1.5
75.04459	1.5
79.05479	38.3
81.07041	100.0
81.89423	1.3
82.07407	1.8
83.08592	7.5
85.06487	2.7
91.05464	17.3
93.07024	50.2
93.07617	2.6
94.07327	1.5
95.04951	3.1
95.08588	65.7
96.08920	2.1
97.06524	2.1
97.10144	3.3
99.08066	2.3
105.07013	14.0
107.08575	35.1
109.06492	2.3
109.10136	38.1
110.10453	2.1
111.08012	2.1
113.09651	2.0
117.06977	8.3
119.08566	12.8
121.09282	2.9
121.10117	28.7
122.10523	1.4
123.08042	2.0
123.11678	21.3
131.08553	20.7
133.10112	12.2
135.11670	28.3
137.09563	1.6
137.13249	7.4
139.11153	1.4
143.20361	1.8
145.10107	12.2
147.10667	1.6
147.11633	10.2
149.13232	20.8
151.11116	1.6
151.14738	2.6
153.12662	2.3
159.11653	12.1
161.13232	10.7
163.14792	11.9
165.12704	1.8
173.13231	13.4
175.14783	2.7
177.12657	1.6
177.16360	5.1
179.14294	2.7
187.14824	9.2
201.16292	2.3
233.22488	2.7
243.21030	25.0
261.22079	94.9
262.22430	6.7
279.23260	7.3
317.24817	2.3
328.23700	1.5
335.25751	16.2
337.74445	1.6
353.26825	39.3
354.27069	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	353.268
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
53.03922	2.5
55.05503	13.2
57.01950	1.2
57.03425	3.2
57.07064	6.6
65.03912	2.9
67.05495	78.4
68.05819	1.2
69.07053	12.8
70.06573	1.6
71.04974	1.8
71.08607	3.3
71.36602	2.4
74.73885	1.2
77.03958	1.4
79.05479	42.5
81.07044	88.2
82.07359	2.1
83.04950	1.7
83.08614	8.0
85.06528	3.2
85.10128	1.5
91.05459	20.7
93.07027	66.2
94.07378	1.7
95.04959	3.5
95.08591	66.7
97.06493	2.9
97.10152	2.7
99.08085	4.9
105.07014	19.9
107.08575	39.5
109.10134	27.6
109.10892	1.3
111.08078	2.4
113.09615	2.4
117.07010	9.9
118.07231	1.3
119.08548	12.0
119.31435	1.2
121.10131	32.3
123.08048	2.0
123.11698	14.1
131.08536	23.6
133.10107	10.1
135.11664	25.8
136.12012	1.3
137.09605	2.1
137.13211	8.8
145.10083	15.3
147.11649	11.8
149.09596	1.6
149.13242	23.7
151.14767	3.4
153.12753	2.8
159.11674	15.2
160.12151	1.3
161.13266	9.1
163.14793	18.2
173.13229	15.5
175.14815	3.0
177.16309	7.3
187.14821	10.3
191.14218	1.9
194.08369	1.3
201.16302	3.1
205.15866	2.9
215.18011	1.6
232.53299	1.5
233.22615	9.0
243.21054	35.8
244.21329	1.8
261.22101	100.0
262.22473	8.2
263.23642	2.3
279.23190	3.1
310.27332	2.4
316.80762	1.2
335.25854	7.7
346.29471	1.3
353.26843	17.1
353.31946	2.3
354.26334	1.8
354.33463	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	353.2678
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.5
54.18637	1.7
55.05506	10.3
57.03427	2.7
57.07058	3.5
65.03922	2.0
67.05492	68.4
69.07038	11.5
71.08607	1.9
71.09196	3.3
72.51117	1.6
75.71054	1.5
79.05479	34.3
81.07041	74.7
83.08608	5.1
85.06499	3.1
86.31470	1.7
89.33952	1.6
91.05466	17.3
93.06454	3.5
93.07021	49.9
95.04965	2.6
95.08585	56.4
97.06496	2.0
97.10142	1.8
105.07011	14.8
107.08573	32.4
109.10130	28.0
111.08028	2.1
117.06999	7.5
119.08557	11.5
121.10118	30.3
123.08022	2.3
123.11678	18.9
131.08542	16.1
133.10085	11.1
135.11668	22.8
137.09604	2.5
137.13243	6.9
145.10078	13.0
147.11627	10.6
149.13239	18.4
149.18018	1.5
151.11191	2.8
151.14848	1.7
153.12689	2.7
159.11659	12.5
161.13213	9.0
163.14728	11.6
173.13255	14.2
175.14816	4.0
177.16362	4.5
187.14767	9.4
201.16260	2.7
215.17941	2.2
233.22665	5.8
243.21021	29.2
261.22083	100.0
262.22412	3.0
279.23145	4.9
294.54001	1.8
332.95483	1.8
335.25693	10.6
353.26758	37.5
354.26694	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	353.268
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
53.03919	2.7
55.01845	6.2
55.05226	2.1
55.05495	39.2
56.05023	2.4
57.03424	13.4
57.07061	21.1
59.04979	1.7
65.03898	1.9
65.41099	1.6
67.05487	78.9
68.05795	2.0
69.03408	3.3
69.07051	47.5
69.92673	8.2
70.06575	3.5
71.04951	3.9
71.08258	2.7
71.08614	24.8
79.05473	44.1
79.82959	1.7
81.07034	90.0
83.04945	7.4
83.08591	21.7
85.06512	7.3
85.10146	2.0
87.43580	1.7
91.05449	17.9
93.07019	51.3
95.04928	3.6
95.08581	56.8
97.06514	8.4
97.10149	23.8
99.08066	16.2
105.07009	27.8
107.04893	2.0
107.08571	37.8
109.09436	3.1
109.10126	38.4
111.08070	5.8
117.06968	6.9
119.08594	10.1
121.06470	4.3
121.10126	24.2
123.08031	2.5
123.11691	14.8
125.09590	12.3
127.11147	3.0
131.08511	11.4
133.10081	7.7
135.08005	4.0
135.11658	30.5
137.09586	2.8
137.13208	8.9
139.11130	1.8
145.10091	13.1
147.07916	1.8
147.11626	14.2
149.02310	3.8
149.05939	23.1
149.13210	12.1
151.14783	3.0
153.09169	1.8
153.12762	8.8
159.11652	6.8
161.13226	6.9
163.14818	12.7
165.12721	3.0
167.06981	7.1
171.10124	3.5
173.11757	3.7
173.13231	7.8
175.14711	3.3
177.05434	6.7
177.12672	3.6
177.16386	3.5
181.15816	1.9
187.14801	4.8
189.11107	7.9
191.10612	11.2
191.17795	2.4
193.04926	12.1
209.07956	3.8
233.22601	3.0
243.21060	19.4
248.23625	2.2
261.22073	47.2
273.13150	1.6
279.23114	35.1
291.23071	3.6
335.25623	7.5
353.10022	4.2
353.26407	100.0
353.79446	8.9
354.27307	6.0
354.33569	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2679
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
55.05508	15.4
57.03419	3.5
57.07051	4.4
61.05697	2.0
65.03914	3.8
65.06839	2.3
67.05494	93.1
69.07051	14.1
70.09644	7.1
70.10056	4.5
71.04961	2.6
79.05055	2.6
79.05485	38.4
80.62602	2.2
81.07047	93.9
83.08600	5.7
85.06494	3.8
87.12892	2.0
91.05454	24.8
93.06475	3.1
93.07030	50.5
95.08596	82.1
97.06519	3.3
97.10130	2.7
98.20802	2.3
99.08098	3.5
105.07029	15.2
107.08577	30.5
109.06514	2.4
109.10150	41.0
117.06985	9.5
119.08591	11.4
121.10116	31.2
122.59637	1.9
123.11689	20.6
130.92461	1.9
131.08553	20.2
133.10115	11.6
133.10950	2.0
135.11684	24.6
137.13214	6.6
145.10085	16.8
147.11694	9.8
149.13219	19.0
151.14777	6.0
159.11682	15.3
161.13255	10.6
163.14799	13.7
173.13243	13.7
175.14793	3.0
177.12781	2.8
177.16316	6.3
181.19240	2.0
187.14790	9.4
205.15735	2.5
220.66982	2.2
233.22514	3.2
243.21045	31.1
261.22110	100.0
262.22342	3.6
279.23251	6.0
335.25717	20.7
353.26840	39.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2291
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	0.4
67.05482	0.3
70.08709	0.4
70.09006	1.4
80.04992	0.3
95.08620	0.4
110.07131	0.4
118.48615	0.2
119.08598	0.3
131.08504	0.3
145.62828	0.2
151.18867	0.2
177.65141	0.3
189.12743	0.3
226.38458	0.3
293.23245	0.4
335.21674	0.6
353.22925	100.0
354.23160	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	353.2677
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
55.01879	2.0
55.05502	12.6
57.03420	2.0
57.07057	4.2
65.03932	1.9
67.05492	71.3
69.07045	10.4
69.39432	15.1
71.04990	3.4
71.34312	1.6
74.20955	1.4
79.05482	37.3
81.07040	87.2
83.08604	7.1
85.06515	2.4
86.75839	1.7
91.05462	18.3
93.07027	49.1
95.04951	3.2
95.08590	56.8
97.06472	3.0
97.10159	2.0
99.08073	2.8
105.07012	13.9
107.08578	35.0
109.10136	33.7
109.10806	1.1
117.06996	7.9
119.08569	11.2
121.10120	30.5
121.10912	2.8
123.08039	2.5
123.11677	20.9
131.08546	19.7
133.10062	11.4
135.11650	28.1
137.13263	6.5
145.10089	13.5
147.11668	9.1
149.13231	18.5
151.14812	3.1
159.11668	12.4
161.13232	8.3
163.14799	9.7
173.13234	11.6
175.14885	2.6
177.16347	5.5
179.14386	2.1
187.14806	7.9
201.16447	1.9
205.15979	1.9
215.17921	2.0
233.22704	2.3
243.21039	24.3
243.23288	2.0
261.22092	100.0
262.22452	3.1
263.23685	2.5
279.23120	3.5
335.25702	11.0
353.26770	32.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2165
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	2.5
55.01865	1.6
55.05496	6.2
57.01950	0.9
57.03419	1.2
57.07055	2.9
57.52543	0.8
59.04983	2.1
60.04514	2.4
61.01125	1.3
67.05497	6.3
68.05807	1.2
69.03416	6.6
69.07060	13.6
70.06582	19.4
71.04987	9.6
71.08615	1.3
71.61924	1.1
79.05502	4.5
81.02972	1.6
81.03408	21.2
81.07047	13.7
82.06538	1.4
83.08599	3.3
84.04487	1.4
84.08128	8.6
85.02889	6.3
85.06530	1.9
85.10146	3.1
86.09691	13.8
89.06019	7.1
90.74120	0.9
91.05461	4.4
93.07027	6.0
95.04951	1.9
95.08594	58.6
96.08923	1.7
97.02866	2.2
97.06499	2.5
97.10161	14.3
99.04443	2.9
99.08078	8.8
99.89877	0.9
100.07629	1.0
100.11220	3.1
105.01862	0.9
105.07015	5.2
106.04991	2.8
107.04913	4.3
107.08559	5.4
109.02854	9.0
109.06465	1.7
109.10136	3.2
110.06009	1.0
111.11697	7.9
113.07112	2.2
113.09627	100.0
114.09953	2.4
117.06956	1.7
119.08550	2.7
120.08070	10.6
121.06509	1.4
121.10111	5.3
127.03848	1.8
128.04201	1.1
129.10246	6.5
131.08569	2.3
133.10118	1.5
135.08037	3.2
135.11688	1.9
136.06059	1.3
137.06003	0.9
137.09645	1.0
137.13225	17.6
145.10080	5.9
147.04330	1.1
147.11626	2.2
149.09581	1.7
149.13223	1.3
155.14323	8.9
156.10938	1.2
163.11154	6.9
167.07089	1.2
173.09537	1.9
173.15349	64.0
174.15692	2.3
177.05498	1.2
181.12219	1.8
184.39339	1.0
191.10649	7.2
191.14345	3.7
191.16385	37.2
192.16786	1.2
209.11650	1.5
209.16649	1.7
217.13277	1.2
227.12759	2.7
233.08037	1.3
286.68170	2.6
289.20856	1.0
317.13861	1.1
317.37073	1.0
319.86646	1.0
336.22769	3.5
353.12280	1.1
353.15970	11.5
353.19684	2.5
354.14056	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2165
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	2.5
55.01865	1.6
55.05496	6.2
57.01950	0.9
57.03419	1.2
57.07055	2.9
57.52543	0.8
59.04983	2.1
60.04514	2.4
61.01125	1.3
67.05497	6.3
68.05807	1.2
69.03416	6.6
69.07060	13.6
70.06582	19.4
71.04987	9.6
71.08615	1.3
71.61924	1.1
79.05502	4.5
81.02972	1.6
81.03408	21.2
81.07047	13.7
82.06538	1.4
83.08599	3.3
84.04487	1.4
84.08128	8.6
85.02889	6.3
85.06530	1.9
85.10146	3.1
86.09691	13.8
89.06019	7.1
90.74120	0.9
91.05461	4.4
93.07027	6.0
95.04951	1.9
95.08594	58.6
96.08923	1.7
97.02866	2.2
97.06499	2.5
97.10161	14.3
99.04443	2.9
99.08078	8.8
99.89877	0.9
100.07629	1.0
100.11220	3.1
105.01862	0.9
105.07015	5.2
106.04991	2.8
107.04913	4.3
107.08559	5.4
109.02854	9.0
109.06465	1.7
109.10136	3.2
110.06009	1.0
111.11697	7.9
113.07112	2.2
113.09627	100.0
114.09953	2.4
117.06956	1.7
119.08550	2.7
120.08070	10.6
121.06509	1.4
121.10111	5.3
127.03848	1.8
128.04201	1.1
129.10246	6.5
131.08569	2.3
133.10118	1.5
135.08037	3.2
135.11688	1.9
136.06059	1.3
137.06003	0.9
137.09645	1.0
137.13225	17.6
145.10080	5.9
147.04330	1.1
147.11626	2.2
149.09581	1.7
149.13223	1.3
155.14323	8.9
156.10938	1.2
163.11154	6.9
167.07089	1.2
173.09537	1.9
173.15349	64.0
174.15692	2.3
177.05498	1.2
181.12219	1.8
184.39339	1.0
191.10649	7.2
191.14345	3.7
191.16385	37.2
192.16786	1.2
209.11650	1.5
209.16649	1.7
217.13277	1.2
227.12759	2.7
233.08037	1.3
286.68170	2.6
289.20856	1.0
317.13861	1.1
317.37073	1.0
319.86646	1.0
336.22769	3.5
353.12280	1.1
353.15970	11.5
353.19684	2.5
354.14056	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1909
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.9
55.05500	1.6
56.05020	1.3
56.42436	0.7
57.03430	1.0
60.04522	1.2
61.01138	0.8
61.02911	1.4
67.05489	4.0
69.03412	2.5
69.07059	8.1
69.50414	2.8
69.50828	3.9
70.06569	4.5
71.04987	6.3
72.04482	0.8
72.08150	1.3
73.02910	1.3
76.71800	0.8
79.05459	1.1
79.52157	0.8
81.03410	1.6
81.07043	11.2
83.01325	1.1
84.04485	2.8
84.08140	6.3
85.02883	7.0
85.06519	3.6
86.09691	100.0
87.04441	1.1
95.04932	0.9
95.08579	10.9
97.02873	5.2
99.08116	1.1
100.76578	0.8
104.05312	1.0
107.04926	3.0
109.02856	1.2
109.10135	2.0
123.04407	1.3
127.03872	2.3
128.10693	92.4
129.10222	3.4
129.11082	2.1
132.10182	24.6
133.02826	3.3
135.04396	0.9
136.06200	2.5
136.07578	1.7
137.06499	1.0
137.13200	2.7
145.04912	1.2
155.14253	9.8
156.07643	1.1
156.10181	21.4
173.15346	8.4
174.11226	80.9
175.11624	2.0
176.26436	0.9
179.01785	1.8
179.03358	31.8
180.03667	5.7
182.08026	1.2
187.14348	1.7
191.16431	4.1
202.10918	0.8
220.11948	1.2
221.12164	1.6
237.02470	1.6
238.02637	1.6
239.02126	1.1
255.03416	2.9
256.03592	2.2
256.16962	3.1
257.03281	1.8
271.54584	1.8
272.04755	1.4
279.03369	0.9
291.03430	1.4
312.91370	1.1
317.11093	1.3
335.12283	1.7
336.11636	0.8
353.13000	3.9
353.17032	1.9
363.05521	2.9
364.05759	3.7
365.05426	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1339
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80818	1.8
55.01875	4.5
55.05498	4.0
56.05025	2.8
57.03406	2.0
60.04493	2.3
62.68692	1.7
67.05496	5.9
67.25655	2.1
69.03428	10.4
69.07047	4.9
69.78120	1.5
70.06582	27.7
71.04978	2.8
71.62424	1.8
71.62801	2.0
72.08143	7.6
74.06102	2.1
79.05470	5.1
81.03403	7.6
81.07060	3.7
82.06569	2.0
84.04498	7.2
84.08133	17.9
85.02900	17.6
86.09698	17.8
87.00829	3.7
87.10030	3.5
91.05460	5.0
91.56570	1.8
93.07008	3.1
95.04943	4.3
96.04478	12.6
97.02888	4.8
98.06053	2.8
99.04443	2.1
105.01847	4.5
107.04945	6.6
108.04461	8.7
108.08044	2.4
109.02866	4.0
110.05999	5.2
110.07148	3.4
116.07081	6.8
119.04922	3.8
120.08092	5.2
122.06016	2.9
123.04440	2.0
124.03922	3.5
124.07571	5.9
127.03901	8.4
129.10210	10.7
134.06032	2.5
136.06104	2.8
136.07584	4.3
137.05977	3.3
138.05515	11.5
140.07071	2.3
143.11792	5.3
146.09642	2.3
147.04425	4.0
148.07590	9.6
150.05499	8.0
152.07048	8.1
157.71786	1.9
165.05331	2.4
166.04976	11.0
168.06503	2.7
173.05975	2.9
174.09140	20.8
176.07085	14.0
178.04903	2.9
182.08112	3.3
184.06067	3.3
184.07544	2.6
186.09100	3.6
187.07471	2.3
188.07030	7.0
188.10704	11.7
190.08632	4.2
198.09114	5.6
200.06923	2.4
201.07834	5.4
201.10255	7.8
202.08624	27.1
204.06534	53.7
212.07047	3.6
214.08601	3.3
215.07417	2.7
215.09421	11.3
215.11464	3.2
216.06607	3.7
216.10201	34.0
218.08075	10.1
219.11317	3.6
226.08696	2.7
227.07991	2.9
228.10397	2.1
230.08112	46.2
231.04887	2.4
231.08772	5.4
232.09770	3.8
243.11200	3.9
244.09680	64.1
245.09348	2.5
246.07578	7.1
254.08160	3.3
257.08984	2.7
258.07559	4.3
260.09122	4.1
262.10672	14.1
271.10886	2.8
272.09146	100.0
273.09558	3.3
273.12360	3.7
278.10114	3.2
279.13303	2.9
288.08633	3.0
289.11789	8.1
290.10172	75.7
291.10428	4.3
300.08621	50.9
306.09677	30.2
308.11246	10.0
317.11154	7.1
318.09671	80.8
319.10138	2.7
321.14426	16.5
335.12305	17.2
335.15869	3.2
336.10724	28.7
353.13510	17.1
353.17441	18.4
353.21112	3.6
371.09583	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.3202
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66138	1.5
51.79757	1.5
52.22809	1.5
55.01854	7.6
55.05502	20.0
57.03407	3.4
57.07064	23.7
57.19389	1.5
59.37737	1.4
64.39619	1.6
65.03946	1.9
67.05492	68.4
68.53138	1.7
69.06716	2.6
69.07056	32.6
70.06574	15.0
70.76944	4.9
71.04987	2.4
71.08616	17.5
72.04472	2.2
72.08144	2.8
73.89822	1.5
76.95549	1.6
79.05475	14.1
79.97835	1.5
81.07042	90.0
82.07375	2.6
83.04945	5.8
83.08598	21.5
85.06522	2.6
85.10152	1.8
91.05463	4.6
93.07022	16.6
95.08588	84.1
97.06503	4.9
97.10139	11.4
99.08062	2.6
102.23933	1.8
103.33772	1.6
105.06993	5.6
107.08572	11.2
108.53540	1.7
109.09441	2.8
109.10136	38.1
111.08030	2.1
111.11674	2.7
115.08675	30.5
117.06972	2.2
119.08524	4.6
121.10133	8.5
123.11681	19.6
127.07517	1.4
131.08482	3.2
133.10083	5.3
135.11652	8.3
137.09592	2.2
137.13196	13.0
141.12675	8.5
145.10092	3.1
147.11635	3.8
149.13220	5.7
151.14793	4.3
153.12738	2.5
159.11603	2.4
159.78764	1.6
161.13225	5.7
165.16254	3.0
169.15840	1.7
172.17015	2.1
173.13252	3.2
179.14297	3.5
179.17989	2.1
187.14816	3.2
195.07545	1.8
195.17401	3.5
201.16197	1.8
209.15298	2.0
223.16870	2.8
225.18539	1.6
226.18021	3.4
233.18854	2.0
251.19991	4.4
299.27322	2.5
317.28412	6.9
335.29364	100.0
336.29694	4.5
352.24673	1.8
352.32108	35.8
353.31741	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	352.2587
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91502	0.5
51.45158	0.5
55.05510	3.9
56.05019	1.5
56.96550	0.9
57.03426	0.6
57.07058	0.9
58.17803	0.5
60.04515	1.2
67.05499	6.6
68.05022	0.9
69.03426	0.7
69.07061	4.8
70.06570	1.6
71.04970	0.6
71.62431	0.8
73.02894	0.8
79.05489	4.3
80.05013	2.7
81.04549	1.8
81.07041	5.9
82.05302	1.3
83.06091	14.1
83.08598	1.1
84.08143	1.1
85.02890	1.3
91.05476	3.0
93.04518	7.3
93.07051	3.3
94.06557	0.9
95.05004	0.5
95.06078	14.4
95.08591	6.7
97.02866	1.3
97.07625	0.6
97.10157	1.1
97.18763	0.5
98.97585	1.8
105.07014	2.6
107.06051	2.6
107.08588	2.4
108.08096	0.8
109.10136	1.4
110.07152	67.5
111.05538	2.5
112.08688	0.8
117.06980	0.8
119.01786	0.6
119.06055	1.1
119.08576	2.3
120.08085	0.6
121.07619	1.2
121.10144	0.9
131.00093	0.7
131.04930	0.5
133.10126	1.1
135.11702	0.7
138.06587	0.8
143.00192	0.7
145.10143	0.6
147.11661	0.7
149.01234	1.1
149.09573	0.5
156.07678	4.1
159.11661	0.6
161.01140	0.8
176.29906	0.5
177.00720	1.1
177.05391	0.6
191.07140	0.6
192.07828	1.8
204.13802	1.3
222.14899	2.3
228.05698	0.8
249.23338	0.8
257.19019	0.8
261.23230	20.9
262.23343	0.7
274.21597	1.8
275.20120	3.2
279.24286	1.0
288.24304	5.5
291.24158	1.3
292.22635	6.7
306.25354	27.7
307.23401	0.6
308.26538	1.0
334.24124	1.8
343.14008	4.7
343.64120	1.6
344.14423	0.7
352.25848	100.0
353.10297	1.0
353.26208	4.6
368.88351	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.2476
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78783	1.3
53.03928	1.9
55.01856	2.3
55.05506	16.4
56.05018	3.9
57.03426	3.3
57.07059	3.0
57.66438	1.8
58.06589	1.7
60.04515	11.9
65.03907	1.8
67.05173	2.7
67.05495	36.7
68.04996	1.8
69.06724	1.9
69.07059	22.1
69.28723	5.9
69.29150	12.6
70.06561	3.2
71.04962	2.6
71.08610	2.5
72.08130	1.8
76.88764	1.4
79.05051	2.4
79.05481	37.4
80.05009	32.8
80.05746	1.8
81.03408	2.2
81.07046	36.9
81.84728	1.8
82.06544	5.3
82.07338	2.1
83.04932	3.3
83.08617	12.5
84.04467	1.5
84.08121	3.1
85.06534	2.1
91.03927	1.8
91.05470	24.8
92.05801	2.0
93.06479	2.5
93.07030	31.5
94.06538	9.5
95.04953	9.6
95.07327	1.7
95.08589	28.5
96.08099	2.2
97.06511	3.7
97.10169	12.5
98.06011	1.5
98.09650	5.0
99.08061	3.1
103.05435	2.4
105.07011	27.0
106.06503	2.5
107.08579	37.0
108.08112	8.5
108.08765	2.3
109.06471	5.9
109.10143	12.8
110.07117	2.7
111.05508	3.3
111.08076	1.7
117.06973	6.4
119.08565	20.6
120.08073	4.8
120.08865	2.1
121.06467	14.2
121.10130	16.7
122.09612	2.9
123.08026	2.6
123.11671	5.3
125.09587	7.1
128.04395	1.5
129.06987	2.5
131.08548	11.7
133.10110	16.6
134.09605	2.9
135.08026	5.8
135.11642	7.8
136.11180	2.8
137.09563	2.5
138.12746	2.0
143.08528	2.1
145.10114	10.0
147.11699	12.9
147.12698	2.4
148.11057	2.6
149.09587	4.2
149.13174	4.4
150.12666	3.0
152.11449	1.7
153.09067	1.6
157.10123	3.1
159.11684	8.0
161.13179	4.2
163.11128	2.3
164.98402	3.4
171.11636	3.5
173.11859	1.7
173.13219	6.1
176.14229	2.0
177.12640	4.2
180.13716	1.7
183.11613	2.7
185.71881	1.5
187.14767	1.8
189.11214	3.3
189.12627	2.0
191.14143	1.7
193.12309	1.7
204.13835	11.4
206.15355	7.3
206.99437	1.9
210.14786	3.7
222.14883	17.6
224.16345	7.1
232.20514	6.2
234.22226	3.6
239.17949	2.3
243.20946	3.6
257.19095	7.2
260.20963	2.7
261.22064	8.4
272.19922	2.2
274.21603	14.6
275.20007	37.9
276.20187	2.1
278.21722	2.9
290.21121	3.6
292.22668	68.8
293.20929	3.9
308.25888	14.8
310.23666	2.5
316.22766	3.0
334.23810	21.0
335.26294	1.9
352.24762	100.0
353.25339	5.1
364.09192	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.2473
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03919	1.1
55.01851	2.1
55.05256	1.1
55.05502	14.4
56.05012	3.2
57.03417	1.7
57.07043	1.6
58.06594	0.8
59.04977	1.3
60.04515	11.3
61.02901	0.9
65.03926	1.3
67.05492	21.7
68.05022	1.8
68.25420	0.7
69.03416	2.2
69.06710	1.3
69.07056	18.1
70.06583	3.9
71.04969	2.4
71.57220	0.6
73.02895	0.9
79.05481	24.1
80.05003	31.8
81.03405	2.5
81.05779	0.8
81.07040	22.2
82.06569	3.7
83.04966	2.7
83.06096	0.9
83.08609	9.4
84.08125	1.9
85.06501	1.8
91.05460	18.1
92.04966	1.0
93.05791	1.3
93.07029	17.7
94.06548	10.8
95.04951	7.0
95.07320	2.6
95.08586	14.5
96.08099	2.9
97.02856	1.5
97.06505	2.5
97.10151	10.1
98.09662	2.3
99.08091	1.0
103.05428	1.4
105.07012	23.4
106.06538	1.7
107.04951	1.9
107.07848	1.3
107.08571	26.0
108.08107	7.4
109.06487	2.9
109.08926	1.5
109.10138	7.6
110.07149	1.5
110.10379	0.8
111.05542	1.9
111.08054	1.6
117.06987	4.9
119.08560	15.2
119.25292	0.7
120.08071	2.5
121.06507	2.1
121.10123	9.1
122.09633	2.0
123.08059	3.1
123.11694	2.8
124.11201	2.0
125.09615	8.1
129.07019	1.6
131.08534	7.1
133.10104	12.0
134.09613	1.8
135.08086	3.7
135.10458	1.2
135.11653	3.7
136.11198	2.9
137.09554	1.1
138.12746	1.7
143.08533	2.7
145.10094	8.4
147.11662	8.8
148.11162	2.1
149.09566	4.5
149.13162	0.8
150.12807	1.9
151.03944	1.2
151.11206	0.9
152.10582	0.9
153.09097	1.7
154.12300	1.2
157.10117	2.6
159.11664	5.6
161.09573	2.2
161.13255	3.3
163.11186	3.2
165.12685	1.5
168.13765	1.0
169.10016	1.3
171.11690	2.0
173.09613	0.9
173.11810	1.7
173.13283	2.5
174.12802	1.2
175.11145	1.0
176.14342	2.0
177.12715	4.0
179.14345	0.9
180.13824	2.1
181.12282	1.0
183.11685	1.2
184.13048	0.7
185.13135	1.2
187.11179	0.8
189.11179	4.7
189.12668	1.4
192.13771	3.0
193.12181	1.4
197.13287	2.2
198.14792	0.9
198.96947	0.7
204.13820	13.1
205.12115	1.1
206.15332	4.4
207.13812	1.0
208.13316	0.7
210.14861	3.8
215.14235	1.1
218.15312	0.8
222.14865	16.8
223.13388	1.3
223.15506	2.3
224.16428	6.3
229.19632	1.7
236.16388	1.1
239.17853	1.2
246.22101	1.1
257.18976	9.4
272.20093	3.0
274.21606	15.7
275.20001	41.1
276.20337	2.4
290.20990	3.8
292.22662	69.0
293.20624	1.6
293.23398	1.7
305.12079	1.2
308.25845	4.6
309.96356	0.8
316.22650	4.0
334.23721	19.8
335.23657	1.6
335.27197	0.9
352.24786	100.0
352.28250	4.3
353.24716	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	352.1779
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.2
53.54197	1.6
55.01851	2.8
55.05494	12.0
57.03435	2.3
57.07056	5.1
58.99559	5.9
60.04512	9.8
61.01114	1.7
67.05165	2.8
67.05495	39.2
69.03412	6.4
69.07056	19.4
69.63248	12.8
70.06580	10.7
71.04984	56.7
71.08607	1.4
72.08145	34.2
73.57837	1.5
74.06119	1.8
76.02202	7.2
79.05481	29.1
81.03365	4.1
81.06571	3.4
81.07045	57.4
83.04952	7.3
83.08602	8.3
84.04487	2.5
84.08136	15.1
85.02889	8.1
85.06049	2.7
85.06528	28.8
86.09693	8.9
86.99021	5.1
87.02637	2.3
87.04475	2.3
87.05592	9.5
87.06053	1.7
88.03976	5.4
91.05463	15.3
93.06461	3.4
93.07033	61.2
95.04942	3.9
95.08592	50.8
96.08851	1.5
97.02873	4.0
97.06512	18.2
99.08060	2.5
101.04222	12.7
102.09157	2.9
104.98315	2.6
105.00076	4.8
105.07035	7.7
107.04922	4.0
107.08574	31.4
109.06483	4.7
109.10144	22.7
110.07213	1.5
111.04423	3.6
111.08044	7.1
113.05966	2.5
114.09140	12.2
117.06989	11.5
119.08558	5.9
120.08089	13.4
121.06476	9.6
121.10114	7.7
122.02723	10.3
123.08044	3.4
123.11685	5.8
125.05969	6.3
125.13269	2.4
127.03867	4.1
127.07542	3.3
128.07030	2.4
129.05455	2.9
129.09081	2.2
129.10204	3.9
131.08536	12.7
133.10121	18.0
135.08046	8.5
135.11676	95.2
136.07539	6.4
136.12013	2.2
137.13245	2.9
139.07516	4.7
139.11125	1.6
141.12680	3.9
143.07053	2.3
145.04912	2.0
146.03162	2.3
147.11639	6.0
148.09644	7.6
149.09605	3.2
149.13242	20.7
151.11154	7.8
151.14844	2.6
153.09052	4.3
153.12730	30.3
155.10626	8.0
155.14249	4.6
159.11314	63.5
164.46562	1.5
165.12712	3.3
166.08653	9.4
169.15863	7.8
171.13771	12.0
172.07512	1.8
173.11736	11.2
173.15317	6.6
177.04007	8.2
177.05359	2.2
177.12718	49.1
178.05846	2.0
178.13016	2.2
187.02455	4.6
187.10762	22.7
191.16403	4.7
193.09726	2.1
195.13780	61.7
201.14819	3.0
205.03279	2.2
208.14093	2.8
213.14816	46.3
227.11092	3.0
231.15851	27.9
245.12009	3.2
253.12454	2.3
263.12997	5.9
271.13574	5.5
273.15073	3.3
288.10822	8.5
289.14517	4.9
290.17737	3.0
299.13058	2.2
317.14105	8.5
334.11295	9.1
334.17126	7.4
335.11551	2.5
335.15201	31.3
352.12433	22.8
352.17841	100.0
353.12509	4.9
353.17807	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	352.1596
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.9
53.72733	1.9
55.01859	5.7
55.05503	3.2
57.03427	6.6
61.02087	1.7
61.02916	8.0
65.71343	1.8
66.77372	1.8
67.05473	3.6
67.43391	1.7
68.99785	1.9
69.03062	3.2
69.03419	36.9
69.07057	88.6
70.06570	3.7
71.04981	7.1
71.06177	2.0
71.06508	3.6
72.08139	3.0
73.02892	5.8
79.05480	2.4
81.03410	26.0
81.07045	6.3
83.89051	1.6
84.08123	3.5
85.02891	100.0
85.06517	2.0
86.03197	2.2
86.09686	7.9
87.00816	42.3
87.04475	2.0
91.05475	2.2
93.07018	3.1
93.08170	1.7
95.04974	2.6
95.08607	5.0
97.02879	60.8
97.06541	1.8
99.04430	13.3
105.01848	98.4
107.04924	5.5
107.08549	2.0
108.04516	2.5
109.02855	23.6
111.08038	8.2
117.01870	2.1
119.08591	2.0
127.03900	94.7
129.01794	2.6
130.12843	1.8
135.08025	3.1
135.11650	2.5
141.41132	1.7
145.04935	68.1
147.02847	2.6
147.08112	1.9
149.09612	2.7
153.09103	2.8
155.10739	1.9
159.02876	16.9
165.09239	2.3
177.09123	3.0
177.88298	1.7
189.03960	4.4
195.10121	10.3
213.03998	2.4
231.04964	36.2
249.06015	25.0
281.10132	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	351.2679
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	10.6
55.01856	5.7
55.05508	20.9
57.07075	6.6
67.05498	41.3
69.07064	50.7
71.04977	9.2
71.30011	8.5
71.30372	10.5
79.05483	32.0
81.07041	66.4
83.04957	7.6
83.08608	16.0
89.06017	7.1
91.05471	40.3
91.05972	6.3
93.07022	63.9
95.04958	23.9
95.08591	79.8
97.06538	14.4
97.10161	6.2
105.07018	99.9
107.08582	58.0
109.06484	12.8
109.10126	56.6
111.08044	5.9
111.11713	8.1
114.26414	6.4
117.07011	13.9
119.08556	100.0
119.09336	7.4
121.06475	7.0
121.10126	59.6
123.08040	7.0
123.11703	21.5
128.06233	6.5
129.07071	12.8
130.07750	6.1
131.08562	37.0
133.10114	52.4
135.08046	19.2
135.11676	20.8
137.13202	13.1
142.07808	12.7
143.08514	20.8
144.09328	7.0
145.10088	52.5
146.07288	9.4
147.08121	5.5
147.11691	30.0
149.09593	21.6
151.09648	7.4
155.08583	7.9
156.09293	11.3
157.10136	42.3
157.75500	6.0
159.08066	6.3
159.11646	28.9
161.09575	51.1
161.13286	17.6
161.62233	5.3
163.11185	8.4
169.10085	14.9
171.11635	35.1
173.09796	6.5
173.13266	13.0
175.11150	9.2
175.14822	16.0
177.16411	24.1
183.11761	12.4
185.13214	22.0
187.14787	8.3
189.16475	9.7
194.10815	7.3
199.14818	14.8
199.60724	5.9
201.16356	8.3
209.13263	21.7
211.14864	6.5
213.12717	5.6
241.19568	8.2
249.38409	6.1
255.21095	8.5
259.20654	6.2
351.26666	35.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2524
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07740	1.2
53.03934	3.8
55.01859	5.0
55.05259	2.2
55.05504	26.2
57.03428	20.3
57.07056	3.7
65.03931	3.4
65.68115	1.2
67.05496	64.4
69.03421	1.6
69.07057	25.4
70.14160	6.3
71.04971	4.6
71.08620	43.4
72.08132	2.5
79.05480	55.6
81.03397	6.0
81.07044	62.1
82.07411	1.6
83.04980	8.4
83.08612	15.2
85.06533	3.7
91.05470	38.7
93.07027	71.6
95.04957	13.2
95.08593	41.7
96.08926	2.2
97.06503	8.2
97.10151	7.6
98.21430	1.8
99.08080	30.4
105.07010	34.7
107.04935	7.4
107.08576	41.8
109.06490	4.2
109.10139	23.6
111.08051	3.7
112.46597	1.2
113.09549	2.9
117.06984	9.7
119.08566	28.1
120.54316	1.4
121.06483	2.3
121.10128	32.3
122.28848	1.2
123.08052	2.6
123.11683	4.0
125.09599	4.1
127.11176	1.9
129.06998	3.5
131.08551	12.8
133.10114	25.2
135.07974	2.7
135.10657	3.0
135.11667	42.9
137.09540	3.3
139.11194	1.8
140.98425	1.7
141.09090	3.4
143.08536	4.8
145.10150	11.0
147.11667	20.8
149.09633	3.0
149.13243	14.0
151.11162	18.8
151.12315	1.5
157.10077	5.0
159.11658	8.4
161.09625	1.5
161.13243	16.5
163.11182	6.7
163.14807	4.2
165.12741	3.3
167.10663	2.1
171.11668	5.7
173.13223	5.1
175.11281	1.7
175.14810	5.5
177.12766	5.1
179.14290	89.9
180.14630	2.2
185.13220	6.6
187.14793	2.3
189.00563	1.7
189.11095	2.4
189.12692	4.2
191.14536	1.5
195.13660	1.8
199.14848	3.4
203.58710	1.5
207.13792	1.3
213.16351	1.8
221.15300	3.5
226.14328	1.3
231.21046	2.3
235.16899	5.5
241.19514	9.1
242.19972	1.5
258.91394	1.4
259.20508	29.3
277.21582	49.8
278.21860	1.5
292.22580	2.6
293.21085	1.6
310.23700	1.8
333.13620	3.3
333.20483	4.5
333.24310	3.2
351.25262	100.0
352.25244	11.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2524
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39565	1.3
53.03935	3.1
55.01852	2.1
55.05505	18.0
57.03424	8.0
57.07054	5.4
65.03923	1.9
67.05495	44.4
69.07056	23.5
70.06559	1.6
70.11860	6.1
71.04982	2.0
71.08620	2.0
75.04483	3.3
77.51754	1.1
79.05479	58.1
80.46337	1.2
81.04546	1.3
81.07044	53.1
82.06605	1.7
83.04984	1.6
83.08607	9.4
85.06543	3.3
91.05465	57.3
91.39227	1.1
93.07027	80.5
94.07359	1.8
95.04971	7.5
95.06066	1.6
95.08591	36.0
97.06516	4.7
97.10164	3.1
98.20754	1.6
99.08074	4.7
103.05423	1.3
105.04491	2.1
105.07011	61.1
107.07847	2.6
107.08577	43.5
109.06481	5.7
109.10138	14.2
111.08121	2.0
113.09621	2.1
115.07562	3.5
117.07007	16.7
119.08563	54.1
120.08862	1.8
121.10121	33.5
122.10481	1.3
123.08081	3.0
123.11694	3.7
128.06218	1.7
129.06975	9.1
130.97002	1.1
131.08548	20.5
133.10114	46.1
135.08075	2.9
135.11679	34.4
136.12016	1.3
137.09621	2.8
142.07718	2.3
143.08516	10.6
145.10095	19.3
147.11667	49.5
149.09598	3.4
149.13232	20.5
151.11237	1.7
157.10132	8.3
158.10631	1.4
159.11678	23.7
161.13242	36.9
163.11203	3.3
163.14812	8.8
165.12756	4.2
171.11653	15.9
172.12144	1.8
173.13234	11.7
175.11142	1.8
175.14813	14.9
177.12773	3.0
185.13231	13.3
187.14752	2.2
189.12584	2.0
189.16351	2.1
194.03046	1.2
197.07292	6.4
199.14766	7.7
203.14319	3.3
210.18092	1.2
213.16350	4.1
215.17856	1.9
217.15929	1.9
217.19582	2.1
217.34386	1.3
231.17476	1.9
231.21030	9.6
241.19479	33.4
259.20526	100.0
260.20676	4.1
261.22223	2.2
277.21616	5.2
289.21555	3.2
308.29449	21.6
333.17361	1.2
333.24356	2.3
351.18445	3.7
351.25284	84.6
351.30273	2.8
352.25281	5.6
352.31985	11.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2524
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00298	1.2
53.03928	2.9
55.01847	4.0
55.05256	2.0
55.05500	25.5
56.05022	1.0
57.03425	22.1
57.07060	5.8
58.39531	0.9
59.88083	0.9
65.03908	2.2
67.05492	74.7
69.03410	2.3
69.07053	23.4
71.05000	4.8
71.08618	48.7
71.62844	0.8
72.08119	1.6
73.06552	1.1
79.05481	53.1
80.05805	1.1
81.03398	4.8
81.07043	73.8
83.04961	7.7
83.08603	14.6
85.06543	4.7
91.05461	35.8
92.05811	1.1
93.07025	65.6
94.07377	1.2
95.04951	13.1
95.08591	47.3
97.02879	1.0
97.06515	10.5
97.10144	9.4
99.08077	34.4
99.08730	1.7
105.07014	32.1
107.04945	7.3
107.08575	46.1
108.08872	1.4
109.06500	5.2
109.10136	26.4
111.08050	4.0
113.09621	2.2
117.06993	8.1
119.08558	30.0
121.06493	2.7
121.10123	31.6
123.08083	3.0
123.11696	5.3
125.09641	4.9
127.11164	1.3
129.06949	3.9
130.99982	1.1
131.08537	9.2
133.06531	1.1
133.10112	22.2
135.08029	3.0
135.11665	40.8
136.11995	1.1
137.09593	5.2
137.13200	1.0
137.91003	1.0
139.11131	2.0
140.98392	1.9
141.09074	3.5
143.08540	4.5
145.10095	9.4
147.04402	1.4
147.11656	20.0
149.09563	2.3
149.13229	16.1
151.11163	22.8
153.12726	2.6
157.10141	4.0
159.11676	7.9
161.13231	18.8
163.11142	9.6
163.14810	4.9
165.12746	2.3
166.99969	1.8
167.10696	3.8
171.11610	5.3
173.11906	1.2
173.13210	5.3
175.11252	1.4
175.14841	4.6
177.12714	4.4
179.14282	100.0
180.14627	2.7
181.12224	1.3
185.13188	5.5
187.14748	1.9
189.00513	2.2
189.11186	2.5
189.12743	2.5
195.13766	1.9
199.14845	4.6
207.13747	1.1
213.16376	1.1
221.15350	2.9
226.14465	1.3
231.21057	1.4
235.16888	5.1
241.19519	8.5
259.20526	22.4
277.07260	1.2
277.21576	58.9
278.22122	1.7
292.22736	3.0
293.21115	2.6
295.22763	1.9
333.13629	3.9
333.24185	5.3
334.23755	2.2
351.25269	93.7
352.24966	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	351.2525
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	4.8
55.01864	2.7
55.05507	17.8
57.03431	8.4
57.07060	4.3
60.04521	1.7
65.03942	1.5
67.05496	44.1
69.07052	16.3
69.84167	8.4
70.06573	2.8
71.04977	4.5
71.08599	2.9
75.04469	2.7
79.05486	61.8
80.04994	2.2
80.05795	1.8
81.07049	54.5
83.04954	3.5
83.08595	8.9
84.08131	2.6
85.06528	6.0
86.09703	2.0
87.04477	2.1
90.53108	1.3
91.05472	50.2
93.07034	85.4
94.07378	2.1
95.04966	7.9
95.08036	2.6
95.08598	36.8
97.06506	4.0
97.10134	4.2
98.20734	2.5
99.08086	5.6
103.05457	1.5
105.07020	55.6
107.04917	2.0
107.08582	51.8
109.06496	4.4
109.10126	14.0
110.07137	5.2
111.05544	1.6
111.08083	4.1
113.09671	1.5
117.07006	14.5
119.08563	52.6
121.06481	2.6
121.09293	2.9
121.10135	41.7
123.08031	3.3
123.11690	3.5
125.09609	2.0
129.06950	8.6
131.08577	17.0
133.10110	46.4
134.10483	1.9
135.08041	3.0
135.11670	42.0
137.05995	8.8
137.09471	1.8
143.08527	9.5
145.10117	20.9
147.11665	49.8
149.09605	6.2
149.13234	25.8
152.05630	2.5
155.08469	1.8
157.10109	9.3
159.11646	17.3
161.13246	39.4
163.11113	3.8
163.14830	8.9
171.11697	12.8
173.13251	12.5
175.11174	3.3
175.14789	24.1
177.12747	3.9
177.16373	2.4
185.13255	11.9
187.14832	4.7
189.12756	5.4
199.14792	7.3
203.14258	3.4
207.13785	2.6
213.16328	4.8
215.18004	2.3
217.15906	1.9
217.19540	6.1
221.15439	2.0
231.17403	3.7
231.21104	10.1
241.19476	40.7
242.19847	1.9
259.20547	99.3
260.20840	3.5
277.18405	3.3
277.21616	16.5
292.22717	5.5
333.24228	13.7
334.23642	2.7
351.21252	21.9
351.25272	100.0
352.14841	2.5
352.21387	2.7
352.25186	14.8
352.28888	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2524
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	1.8
51.26173	1.4
53.03934	4.1
55.01853	3.0
55.05256	1.8
55.05500	22.4
55.90821	1.6
56.96558	3.4
57.03430	7.8
57.07061	4.1
58.25546	1.3
64.19175	1.5
64.85260	1.7
67.05497	50.6
69.03408	1.9
69.07055	22.5
69.42783	1.5
69.43135	15.4
71.04974	3.2
71.08623	19.7
75.04446	2.9
79.05486	61.8
79.05952	3.3
80.05008	3.4
81.03400	2.5
81.06569	2.7
81.07046	57.7
83.04952	4.4
83.08616	10.9
85.06521	5.1
91.05470	60.1
93.07031	78.9
95.04965	9.0
95.08594	40.5
97.02879	1.5
97.06501	5.3
97.10120	5.6
99.08091	13.8
105.07016	68.3
106.06519	1.7
106.07294	2.3
107.08575	41.5
109.06487	3.0
109.10144	17.2
111.08089	1.9
113.09631	2.7
115.05447	1.8
117.07003	12.7
119.08567	52.9
121.09295	2.4
121.10139	37.0
123.08014	1.9
123.11687	5.0
125.09634	3.7
125.47584	1.4
128.06125	2.1
129.06999	10.1
131.08545	17.0
133.09102	2.5
133.10114	49.9
133.37682	1.5
135.08044	3.5
135.11673	33.4
136.06175	3.7
137.06555	1.7
137.09579	4.2
137.13139	1.8
143.08537	10.4
145.10115	21.8
147.11673	44.9
148.12041	2.5
149.09544	3.7
149.13237	22.3
151.11162	7.6
152.05658	2.2
155.08397	1.4
157.10085	10.1
159.11688	21.8
161.09650	2.0
161.13240	37.6
163.11115	4.0
163.14793	6.8
165.12775	1.7
169.03537	5.1
171.11679	12.2
173.13243	11.5
175.11174	2.5
175.14799	18.1
177.12738	4.2
178.45320	1.4
179.14279	6.5
185.13240	15.5
187.14775	3.2
189.11186	2.3
189.12747	3.9
199.14789	8.5
207.13644	1.9
213.07994	2.7
213.16393	3.2
215.17831	1.8
217.19460	4.0
231.09053	3.5
231.20978	7.2
241.19484	33.1
259.20554	94.4
260.20844	4.6
274.21585	1.9
275.20114	2.0
277.21588	19.6
292.22681	6.3
333.17249	3.0
333.24207	5.8
351.13806	2.3
351.18100	14.9
351.21671	5.2
351.25262	100.0
352.18829	2.3
352.25397	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	351.2524
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70529	1.4
53.03934	5.2
55.01855	2.1
55.05283	1.9
55.05503	15.4
57.03435	11.7
57.07065	2.9
66.56000	1.4
67.05495	46.8
69.07056	18.3
69.43359	11.2
69.52055	1.3
71.04980	4.5
71.08617	4.5
75.04475	1.9
75.79789	1.6
79.05482	51.6
81.03390	1.9
81.06569	2.5
81.07047	52.0
83.04975	2.4
83.08617	9.6
84.08124	2.2
85.06509	4.5
91.05468	43.4
93.07031	78.3
94.45423	1.9
95.04955	6.6
95.08595	36.3
97.06516	4.7
97.10135	4.8
98.20707	2.6
99.05924	1.5
99.08088	6.8
105.07015	44.8
107.08574	42.6
109.06503	4.5
109.10149	16.1
111.08063	2.4
113.09607	2.3
115.05457	1.6
117.06998	11.4
117.88768	1.2
119.08562	38.9
121.06425	2.4
121.09301	2.4
121.10126	36.5
123.08044	1.9
123.11687	4.4
124.19807	1.7
129.06989	6.9
131.08543	15.9
132.42879	1.5
133.10112	42.8
135.08038	2.6
135.11676	35.4
138.42575	1.6
143.08524	10.4
145.10092	19.0
147.11664	41.4
149.09608	2.7
149.13234	20.0
151.11182	3.1
152.05659	3.2
157.10124	8.8
159.11652	15.1
161.09630	1.9
161.13217	31.9
163.11180	3.1
163.14801	7.1
171.11659	11.0
173.13261	7.8
175.11171	2.9
175.14799	16.8
177.12711	2.6
179.14267	5.3
185.13203	11.3
187.14752	3.8
189.12761	2.7
199.14815	6.3
203.14244	3.2
213.16402	1.9
217.19467	4.8
231.17366	2.1
231.21075	7.7
241.19490	27.6
242.19876	1.7
259.20526	83.8
260.20889	3.6
275.20062	3.3
277.21585	20.0
292.22830	2.7
333.24286	9.1
334.24048	2.5
351.25238	100.0
352.25473	11.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
54.86514	4.1
55.01843	4.7
55.05510	22.7
56.96540	5.0
57.03418	10.0
57.07066	27.4
64.32934	4.3
67.05494	47.3
69.07056	96.9
69.84464	16.2
69.84871	10.0
79.05471	52.6
81.04515	9.0
81.07045	48.9
83.04955	4.1
83.08587	10.4
84.08104	5.1
91.05464	44.8
93.06541	5.8
93.07036	67.3
95.04950	13.4
95.08591	33.9
97.06495	4.6
99.00039	4.5
105.06984	45.3
107.08583	33.1
109.06497	13.3
109.10116	16.2
115.07555	29.3
117.07021	6.7
119.08552	43.2
121.10148	33.2
123.08032	6.9
123.11710	5.2
126.99453	8.3
129.01016	13.9
129.07022	5.3
131.08568	20.5
133.10120	47.4
134.10507	4.1
135.11678	33.2
141.00984	18.2
143.08542	7.5
145.10081	17.5
147.11668	38.1
149.13231	18.9
155.02554	7.2
157.10037	7.4
159.11690	23.2
161.09575	4.5
161.13197	32.5
163.11147	8.7
165.12671	9.3
171.11717	14.9
172.12270	4.8
173.13235	9.3
175.14784	14.2
185.13275	13.8
197.07272	68.5
199.14754	7.2
229.07471	11.4
231.21024	7.5
241.19466	31.3
247.08516	4.6
255.80096	4.6
259.20511	74.0
268.08701	4.0
268.28247	4.1
277.21582	6.7
279.35306	4.3
283.11978	4.8
283.67401	4.7
289.21426	7.3
308.29333	5.7
351.19244	38.2
351.25412	100.0
352.10626	7.5
352.25250	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	351.1183
Annotation	bisanthene
Peak:m/z	Relative Intensity
55.01870	5.0
55.05506	0.9
62.16408	0.8
64.29635	0.9
67.05499	1.0
67.51003	0.8
69.03419	1.6
69.07047	0.8
70.06586	8.6
71.35865	1.5
72.08147	3.7
79.05479	0.9
81.03394	1.0
81.07057	1.0
84.04479	2.5
84.08138	6.6
84.73349	0.7
85.02876	1.1
86.09702	5.4
91.05467	1.6
105.07040	1.5
107.04939	0.9
107.08607	1.2
110.07130	1.2
111.83656	0.7
112.07533	0.9
116.67158	0.7
120.08098	5.6
121.06456	1.4
123.04427	5.2
129.10255	4.7
130.08650	1.5
138.99174	0.7
140.06949	1.0
143.11774	1.6
147.04401	2.5
147.11273	1.6
162.05400	0.7
163.03903	0.8
171.05489	1.1
175.07425	0.9
177.05542	1.0
177.10201	1.1
182.08119	0.9
184.07608	0.8
185.07088	1.7
187.08679	0.9
199.08669	2.4
201.06699	2.2
201.27757	0.8
212.05685	0.9
213.06584	2.7
213.10121	4.2
214.07367	2.4
215.08177	3.9
217.06096	2.2
217.09686	2.1
219.07616	3.4
221.09610	0.8
223.08856	0.7
225.10179	0.8
227.08151	5.6
231.07683	1.6
232.08400	3.7
233.09209	3.8
237.06544	1.3
241.06065	2.6
241.09706	10.2
242.06863	3.0
243.07536	2.1
245.05585	1.3
245.09267	6.7
251.08171	2.1
255.07643	10.1
259.07190	1.5
259.10745	3.5
260.07889	4.3
261.08661	2.7
263.10339	1.2
269.09155	8.7
270.09784	1.1
271.10806	3.4
272.08884	1.2
273.08698	9.5
287.10214	13.3
289.11780	1.7
291.09723	2.4
297.08676	10.1
305.11215	2.7
315.09717	39.0
316.10187	1.7
319.07980	0.9
333.10767	73.5
334.11295	3.8
351.11832	100.0
352.12177	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	350.3258
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	5.4
57.07066	98.8
59.48821	2.2
67.05488	5.2
67.49321	2.0
69.07040	6.3
70.09395	4.8
70.09816	6.4
71.08620	83.8
81.07038	4.6
83.08610	3.2
84.56556	2.4
85.10169	44.6
86.06086	2.0
87.04461	2.7
89.06015	63.6
91.05424	2.0
93.07035	3.3
95.08598	5.0
99.11728	7.3
105.07313	2.7
107.07042	5.8
107.08614	3.3
109.10106	3.4
113.13250	5.8
127.14751	4.9
130.08653	2.9
133.08585	24.0
133.10278	2.4
134.53316	2.0
135.11693	2.6
151.09631	100.0
171.11949	3.6
184.20624	4.8
223.03967	3.2
333.29907	43.7
334.30289	3.3
350.27036	8.8
350.37729	7.6
351.19424	8.6
351.23135	3.7
362.68585	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	350.2167
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05486	12.2
55.93402	3.9
56.05035	5.2
57.03431	4.7
58.31073	3.5
60.04510	12.4
62.65635	3.7
63.20925	3.2
67.05479	11.1
69.03414	8.2
69.07040	8.7
70.06578	36.0
71.04994	18.9
71.05316	3.3
71.62667	4.1
71.63067	4.7
72.08138	13.8
79.05478	20.4
81.03397	7.9
81.07046	39.1
83.04963	6.2
83.08603	3.8
84.04491	6.1
84.08112	12.5
85.02894	27.6
85.06525	6.5
86.09700	31.5
91.05448	17.6
93.07032	73.1
95.04977	6.1
95.08569	26.6
97.02871	7.7
97.06515	6.8
101.02198	3.7
105.07011	10.3
107.04928	3.9
107.08578	100.0
108.08136	4.9
109.02825	4.2
109.10172	13.1
110.09663	4.1
119.08586	3.9
120.08085	11.2
122.02682	4.6
126.05460	4.3
127.03904	6.8
129.10176	5.8
131.08562	5.2
135.11667	90.5
137.13226	9.6
143.09438	4.9
145.04953	7.6
150.53508	3.7
153.12743	19.3
163.05908	5.7
166.08578	5.5
185.12880	6.1
204.08611	20.8
211.13269	8.1
236.31300	3.8
238.17946	4.8
281.22223	9.6
332.27884	15.4
350.28851	38.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2731
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
51.16993	0.3
53.03948	0.4
55.01876	0.3
55.05501	3.2
56.00229	0.3
57.07063	1.3
59.57425	0.3
67.05491	4.3
69.07056	7.4
70.23179	1.6
71.04965	1.1
71.08615	0.8
73.06532	0.5
79.05475	2.5
81.07045	7.0
83.04952	0.5
83.08607	2.9
85.06522	0.6
91.05468	1.1
93.07031	3.7
95.08593	5.4
97.06526	1.6
97.10133	0.8
98.59740	0.3
99.08068	0.5
105.07020	2.2
107.08574	3.8
109.06501	10.4
109.07249	0.7
109.10135	3.3
111.08057	1.6
117.06998	0.4
119.08563	3.4
121.06516	0.6
121.10130	2.8
122.07253	0.8
123.08047	52.1
123.11667	1.2
124.08382	0.8
125.09630	0.5
131.08536	0.6
133.10103	1.8
135.08022	4.1
135.11673	1.7
137.09581	2.5
137.13272	0.5
145.10114	0.8
147.11697	1.8
149.09583	1.4
149.13243	1.8
155.74875	0.4
159.11687	0.9
161.13223	1.4
165.12779	0.7
172.02000	0.4
175.14836	0.4
179.14276	19.5
179.34494	0.3
180.14609	0.7
193.15891	0.5
233.18896	0.6
247.20509	0.3
263.20047	0.4
275.20062	1.4
281.21313	0.6
289.25134	0.8
293.21069	12.9
294.21494	0.6
303.26746	0.6
307.22589	1.0
313.95602	0.3
331.26193	2.3
349.27313	100.0
350.27625	5.2
364.07782	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2728
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
52.98164	0.4
55.05502	4.2
56.77886	0.4
57.03408	0.4
57.07058	0.9
59.04956	0.4
62.99199	0.4
67.05487	4.4
69.07053	8.6
69.25925	4.0
69.26336	0.6
71.04975	1.1
73.06539	0.7
79.05473	2.5
81.03368	0.4
81.07039	7.5
83.04999	0.6
83.08599	3.6
85.06537	0.7
91.05456	1.8
93.07012	4.4
95.04961	0.4
95.08589	5.9
97.06504	1.6
97.10157	0.8
105.07005	2.2
107.08562	4.5
109.06499	9.3
109.10121	3.2
111.08060	1.6
119.08552	2.4
121.10110	3.3
122.07240	0.6
123.08043	55.6
123.11685	1.3
124.08347	0.7
131.08557	0.5
133.10120	1.8
135.08015	5.2
135.11691	1.7
136.08855	0.4
137.09584	3.2
145.10086	1.1
147.11658	1.6
149.09602	1.1
149.13187	2.0
151.11186	0.9
159.11633	1.2
161.13255	1.0
165.12695	0.6
167.14307	0.6
179.14256	8.4
213.38762	0.4
219.99544	0.5
275.20053	1.5
293.21057	13.6
294.02469	0.4
297.37698	0.4
307.22714	0.7
310.53427	0.4
324.93439	0.5
331.26236	2.5
348.67847	0.4
349.27292	100.0
350.27628	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	349.1981
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	0.8
55.28412	0.4
56.05013	0.6
57.07047	0.6
57.46888	0.5
60.77484	0.4
61.01123	0.6
67.05483	1.5
69.07072	0.7
70.06576	0.9
70.27732	0.4
70.28142	0.4
70.81272	1.6
72.08148	0.6
79.05479	0.9
81.07043	1.3
83.08573	0.5
84.08136	1.1
86.09673	0.8
91.05428	0.8
93.07044	1.4
95.08562	1.0
104.05300	0.6
105.07006	1.1
107.08588	0.7
110.07133	1.0
119.08540	0.8
120.08089	0.7
121.06530	0.9
131.08519	1.4
133.03175	0.6
133.10121	0.6
137.05714	2.6
145.10107	1.1
221.11356	1.0
235.12996	1.1
257.18903	0.6
275.20004	1.2
283.28900	0.5
288.19965	1.9
331.18704	0.6
349.19818	100.0
350.20010	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1979
Annotation	(plusmn)-JWH 073 N-(3-hydroxybutyl) metabolite-d5
Peak:m/z	Relative Intensity
54.30280	0.7
55.01862	0.8
55.05491	1.9
57.03405	0.9
67.05492	3.6
68.46662	0.6
69.07046	2.2
70.06567	1.1
70.37714	2.4
72.08138	0.6
73.86613	0.7
76.69962	0.6
79.05465	2.4
81.03378	0.7
81.07034	4.1
83.08632	0.9
84.08105	2.9
91.05444	3.9
92.98529	0.6
93.07026	2.7
95.08577	2.2
104.19900	0.7
105.07005	3.1
107.08589	3.3
109.10131	1.5
110.07104	0.7
118.70169	0.7
119.08524	2.1
121.10135	1.3
123.08070	0.9
131.08551	2.6
133.10114	1.7
135.11667	0.9
135.86458	0.8
145.10109	2.7
147.11662	1.1
150.05319	0.7
159.11697	1.9
173.11755	0.9
174.12068	1.0
216.86543	0.8
257.19025	1.8
275.20239	1.3
287.20526	1.5
312.81409	0.8
331.18756	1.7
349.19812	100.0
349.23434	4.9
350.19766	5.2
350.23764	1.6
358.32437	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.177
Annotation	Unknow
Peak:m/z	Relative Intensity
54.54665	2.4
55.05495	5.2
56.96557	33.2
57.03416	2.2
63.77057	2.9
67.05477	7.7
69.07046	15.2
71.04977	2.1
71.62947	2.7
71.95231	3.9
76.69107	2.1
79.05444	7.3
81.07056	12.7
84.08100	4.2
84.96036	2.3
91.05447	9.8
93.07008	4.7
95.08571	6.6
98.55398	2.3
98.97511	3.0
105.06998	4.1
107.08572	4.7
109.06496	3.3
109.10141	3.8
110.97574	3.7
111.05511	3.4
116.98535	5.4
119.08560	8.0
121.06473	7.2
122.16793	2.1
123.07972	4.4
128.98573	8.6
130.02824	2.5
131.00069	4.3
131.08549	3.5
133.10089	5.4
134.99542	3.0
140.98438	3.9
143.00037	3.3
145.10069	4.4
146.99622	8.4
147.11574	3.8
154.99963	2.8
157.09979	2.3
159.11710	3.9
160.03920	45.5
161.01135	4.5
165.00719	2.8
165.11272	4.0
166.99997	2.8
173.11731	2.8
173.13185	3.1
174.98961	3.4
179.14264	3.6
185.04781	4.4
189.00548	3.9
189.04350	3.5
197.04729	2.7
199.06372	9.6
202.08589	10.4
203.05824	5.0
205.07471	5.0
211.06232	2.6
217.07410	14.7
223.02757	2.9
223.08481	5.6
236.34351	2.3
237.04269	3.3
237.07971	5.4
241.23529	3.7
243.09087	5.0
255.09027	23.9
257.18979	3.3
273.10010	15.9
275.20038	5.1
278.10406	3.7
279.08820	3.3
280.09802	5.2
287.24017	16.4
287.26807	5.1
298.10797	3.2
331.15747	36.3
349.12320	17.6
349.16846	100.0
349.23090	10.4
349.29303	3.8
349.55356	2.4
350.13080	2.9
350.17203	7.4
350.26691	6.9
367.14334	2.4
367.17969	22.1
372.18265	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	349.177
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08440	5.2
51.68678	4.8
52.69872	4.6
55.05488	18.2
56.96547	15.4
57.03421	9.3
67.05500	27.9
69.03415	6.9
69.07053	20.2
69.79330	4.5
70.06570	6.3
71.60926	7.2
72.73328	4.3
79.05495	28.7
81.07028	38.4
83.04942	5.2
83.08584	9.1
84.08112	13.1
86.09664	5.5
91.05463	30.3
93.07020	20.6
95.04935	5.1
95.08594	13.6
97.06539	5.4
97.10151	4.7
97.60343	6.0
105.06994	26.8
107.08559	19.0
109.06522	8.5
109.10130	15.3
117.06950	9.1
119.08556	25.0
120.08117	5.0
121.10134	12.1
131.08571	16.3
133.10127	13.7
135.11621	9.5
136.06163	30.4
145.10042	17.5
147.11723	7.9
157.10126	5.8
159.11667	11.0
173.13242	5.7
179.29921	4.8
186.19470	4.9
221.75862	5.1
257.18884	12.3
257.51367	4.8
273.22433	8.8
275.20023	19.1
275.51767	4.9
282.52036	7.5
297.36221	4.7
303.02051	5.0
305.22842	6.7
308.02322	8.6
331.15805	27.1
349.17056	100.0
349.23636	43.2
350.25333	17.0
367.17877	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	349.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	18.0
56.96555	7.0
57.03418	11.0
58.06541	3.3
67.05487	32.5
67.98621	3.4
69.03426	4.6
69.07057	26.9
69.59889	26.6
79.05483	20.0
81.07043	38.1
83.04955	9.7
83.08608	11.5
84.08131	6.7
84.96018	3.7
85.06548	3.8
91.05463	27.1
93.07034	33.5
95.04953	8.6
95.08585	26.3
97.10130	3.2
104.59727	3.3
105.07007	24.5
106.23242	3.3
107.04963	10.1
107.08575	21.1
109.06493	11.0
109.10152	10.5
111.05573	7.7
111.08064	5.5
117.06985	9.1
119.08546	20.8
121.06479	14.7
121.10125	8.5
123.08026	8.7
129.13242	4.3
131.08514	20.1
133.06429	6.3
133.10110	16.1
135.08014	8.1
135.11673	3.3
136.06177	6.3
137.05960	4.4
139.06453	3.0
140.19890	3.2
145.10100	12.9
145.30060	3.0
147.11668	13.4
149.09584	8.0
151.11113	4.2
157.10168	3.5
159.11684	6.1
161.13303	6.2
163.11131	8.8
163.25194	3.2
171.11725	3.9
173.09627	5.7
173.13271	5.2
179.14333	8.8
187.14935	4.0
239.17984	5.3
247.20535	5.3
257.19031	9.7
275.20010	100.0
276.20352	3.8
293.21143	7.4
307.09802	3.8
349.14142	12.8
349.17798	24.1
349.23715	49.5
349.28247	17.6
350.14511	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	349.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	14.1
56.96548	42.9
57.03420	5.8
65.33322	6.4
65.52752	5.5
67.05495	33.4
69.07050	17.3
71.30658	8.0
71.30997	12.6
79.05473	24.9
79.45126	7.2
81.07024	29.6
83.04961	7.3
83.08604	7.7
84.08123	10.3
86.95956	6.6
89.57967	5.8
91.05444	26.3
93.07050	33.2
95.08578	20.1
102.96246	6.0
105.06996	17.6
107.04913	13.2
107.08569	18.4
109.06474	10.5
109.10178	13.0
117.06981	8.7
119.08537	11.3
121.06476	6.4
123.08012	7.6
131.08545	14.0
133.10130	21.6
136.06161	7.6
145.10092	12.6
147.11655	11.1
159.11649	10.7
175.14795	7.4
179.14363	13.5
180.24162	6.7
195.43912	6.8
203.07037	17.6
213.07948	20.6
217.07458	15.2
229.07442	43.5
231.06792	9.8
231.08986	39.3
235.01527	9.0
244.02068	9.1
247.08444	43.0
257.18909	11.7
261.10022	13.0
275.20016	57.9
349.17197	100.0
349.23300	38.5
349.27826	19.9
350.26822	11.5
367.17905	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	349.089
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.6
55.01864	0.6
55.05502	7.0
57.03432	2.2
61.02920	0.9
67.05499	1.0
68.99784	0.6
69.03423	17.6
69.03803	0.9
69.07051	0.9
70.06582	5.2
71.04974	4.4
71.19574	0.9
72.08141	1.6
73.02899	0.5
74.60527	0.4
79.05482	0.8
81.03407	16.9
81.07050	2.3
83.04952	1.2
83.08606	8.9
84.04482	1.5
84.08138	3.2
85.02893	15.8
85.06538	1.1
86.09693	3.2
87.00827	6.2
87.35798	0.5
91.05464	2.0
93.07025	0.7
93.64664	0.5
95.04965	0.6
97.02886	4.0
97.06508	0.9
99.04443	6.1
99.08067	1.4
100.29218	0.4
101.09651	4.4
105.01863	3.2
105.07003	0.8
107.04953	0.6
107.08575	0.4
108.04436	0.9
109.02863	14.6
110.07150	0.7
119.04900	0.8
122.02698	0.8
122.06031	0.6
125.06024	0.6
127.03899	38.4
129.01796	0.6
129.10196	1.4
131.01802	0.6
131.04900	1.1
131.81709	0.4
136.06166	2.3
137.06602	2.3
138.01736	0.4
140.07089	0.7
141.09053	0.5
145.04916	1.4
145.10088	0.5
146.05972	0.5
147.04404	2.0
148.11574	0.5
151.07486	0.6
153.12703	0.7
165.07892	0.5
168.06540	0.6
169.12175	0.6
171.04291	0.5
182.08128	1.0
185.04247	1.1
187.03665	1.7
189.05469	1.0
191.10658	1.0
202.08919	1.1
209.11714	0.7
213.03915	2.0
229.03389	0.5
231.04947	8.8
247.04471	2.2
259.04446	0.6
265.05545	1.7
285.11990	0.5
286.06274	0.6
295.11621	1.0
307.06665	1.2
313.11478	0.5
331.09122	1.4
331.13113	1.7
349.08899	100.0
349.12729	4.3
350.09259	1.9
367.08701	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1252
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	0.9
56.05005	0.5
58.97215	0.4
60.04500	0.9
67.05483	0.8
69.07045	2.1
70.06578	5.4
71.04934	0.5
72.08125	1.5
76.03986	0.5
84.04478	1.2
84.08136	2.8
85.02892	0.6
85.04806	0.5
85.06484	0.4
86.09698	3.7
87.05549	0.8
91.05446	1.2
93.07005	0.7
95.04939	0.5
97.06513	0.4
105.07002	0.6
107.04910	2.0
108.04444	0.6
110.07137	0.6
116.07035	1.0
120.08057	1.0
122.06009	1.0
123.08083	0.7
127.03901	0.6
129.10199	0.8
131.01875	0.5
136.07538	0.7
138.69188	0.4
140.07050	4.1
143.08105	0.6
145.10002	0.5
150.05528	0.5
151.07497	1.0
162.08980	0.4
168.06516	1.2
182.08154	1.0
183.04938	0.5
185.04195	0.5
190.04916	0.8
191.08452	0.5
199.08665	0.6
207.11137	0.6
215.08130	1.2
215.11667	0.6
217.09702	3.3
219.04848	0.8
223.08113	0.7
225.09872	0.5
229.09654	0.8
230.10431	0.5
234.98940	1.0
239.11646	1.6
243.11118	1.5
244.09648	1.1
257.09204	0.8
259.08096	0.8
261.12274	0.7
267.11063	1.6
271.10684	1.3
285.09149	0.7
285.12164	2.3
286.10684	1.0
289.11777	4.9
290.09991	1.2
295.10663	1.6
307.12570	0.6
313.11771	4.4
319.01099	1.0
331.12827	5.9
349.12546	100.0
350.12854	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	348.3255
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	0.4
57.07055	0.5
67.05464	0.1
67.42168	0.2
68.39769	0.2
69.07051	0.4
69.43021	1.2
69.43427	0.4
71.08611	0.2
81.07039	0.4
81.86474	0.2
91.65144	0.2
94.06583	0.2
95.08584	0.4
102.30350	0.2
105.06998	0.2
107.06689	0.3
107.07330	3.5
107.08526	0.3
107.18258	0.2
109.06535	0.2
117.93146	0.2
119.08643	0.2
120.08080	2.6
120.08907	0.2
121.08881	0.8
123.08022	0.9
128.14879	0.2
131.00154	0.2
134.09627	1.5
135.29755	0.2
136.06136	0.4
138.09134	0.2
141.96996	0.2
146.09555	0.2
148.11224	0.3
149.01210	0.2
151.09903	4.6
155.70695	0.2
156.03583	0.4
162.12743	0.5
164.10689	2.2
165.11475	0.3
176.14291	0.2
178.12233	2.9
179.14310	1.3
182.46576	0.2
190.15887	0.4
192.13834	0.5
193.83531	0.2
204.17513	0.4
206.15419	0.7
206.19038	0.4
218.19112	0.3
220.17015	0.4
232.20493	0.3
234.18520	0.5
236.23077	0.2
248.20131	0.2
262.21597	0.4
265.22668	0.2
293.20972	0.2
304.29938	16.2
305.30359	0.8
330.31421	0.6
346.06113	0.2
347.67352	1.5
348.32547	100.0
349.27457	2.3
349.32880	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	348.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04611	4.4
53.32046	4.4
53.59408	4.9
55.01865	5.0
55.05499	37.3
57.03395	5.1
67.05493	77.3
69.07043	31.1
70.66763	8.1
70.67115	12.1
71.04585	5.3
71.04961	6.1
71.08610	21.0
74.12222	4.6
79.05491	31.3
81.07035	73.7
83.04960	10.2
83.08613	31.5
91.05458	16.9
93.07030	47.7
95.04966	5.6
95.08583	31.5
97.06509	14.7
97.10184	24.4
99.08099	12.3
105.07007	11.4
107.08588	30.1
109.10134	41.4
111.08070	15.9
119.08547	15.6
121.10130	12.9
123.11606	6.7
125.09604	17.9
131.08540	11.9
133.10121	16.9
135.11700	17.1
149.13240	38.3
149.44014	5.5
151.11174	14.8
155.10602	13.1
159.11684	17.6
161.13197	5.8
173.11726	47.2
177.12694	11.7
179.14230	8.9
189.11165	21.7
195.13782	100.0
213.14821	78.9
249.04424	5.4
277.21570	56.6
295.22580	29.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.0697
Annotation	Adenosine 3'-monophosphate
Peak:m/z	Relative Intensity
56.05027	0.2
56.96538	0.2
57.03409	0.4
62.83452	0.1
64.50104	0.1
69.03410	1.2
69.07053	0.2
70.06568	0.4
70.49270	0.2
70.49622	0.4
72.08157	0.2
73.36987	0.1
74.06049	0.6
77.36006	0.1
82.35665	0.1
82.38566	0.2
84.04459	0.7
84.08098	0.2
85.02884	5.9
86.09671	2.0
88.03968	0.4
94.04015	0.4
97.02870	2.2
98.97572	0.1
98.97800	0.2
98.98440	2.3
106.04997	0.3
110.07148	0.2
115.03918	0.2
119.01859	0.2
119.03505	1.1
123.04399	0.4
126.05462	0.6
127.89665	0.1
129.06563	0.3
132.10155	0.4
136.06154	100.0
136.99936	0.4
137.04526	0.8
137.06625	1.1
144.06525	1.1
150.05464	0.3
154.04887	0.2
161.02942	0.2
164.99434	2.4
169.04950	0.1
173.02837	0.1
189.08658	0.9
197.12894	0.2
213.01590	0.5
215.14000	0.3
217.08134	1.0
246.77718	0.2
248.99681	0.1
258.05215	0.2
284.15991	0.2
330.05753	0.4
330.16458	0.2
348.06961	10.7
349.07010	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.1471
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	3.9
55.05496	4.3
56.05016	2.0
57.03419	1.2
57.07062	3.5
58.06570	1.5
58.99574	4.2
60.04509	5.6
65.03928	1.2
66.66161	1.1
67.05492	14.4
69.03407	3.5
69.07056	5.1
70.06579	12.3
71.04977	4.4
71.61446	2.3
72.08141	7.4
72.15778	1.3
74.00652	8.2
74.06072	4.4
76.02204	7.7
79.05482	18.5
81.03403	3.5
81.07034	8.6
83.04960	4.9
84.04500	4.6
84.08125	9.0
85.02873	6.0
85.06531	41.2
86.06054	4.9
86.06852	1.3
86.09692	20.2
86.10171	2.1
86.99031	1.8
87.05578	2.4
88.02193	1.8
88.03986	6.1
91.05470	21.4
93.07037	16.7
95.04955	5.8
95.08594	3.8
97.01129	1.4
97.02917	3.1
97.06522	6.4
98.98447	1.4
99.05582	1.4
102.05531	2.9
103.05374	1.3
105.00089	2.7
105.07013	10.6
107.04931	9.8
107.08564	8.1
109.06546	4.3
109.10139	3.3
110.07181	3.2
111.04426	1.6
111.08078	1.4
117.06965	6.7
119.04926	1.4
119.08567	13.8
120.01142	5.9
120.08095	3.8
121.06493	5.6
121.10126	19.7
122.02709	24.0
123.04417	3.0
123.08068	2.6
123.11720	7.0
125.05973	4.2
127.03915	2.0
128.10680	1.4
129.07013	3.3
129.10239	3.6
130.06494	2.7
130.08644	3.0
131.08582	3.7
133.06503	3.0
135.04411	1.8
135.08035	3.6
135.11687	13.9
136.06166	24.5
136.07249	1.5
136.07684	1.9
137.04189	1.8
139.07512	1.5
144.06573	3.5
144.08090	1.2
145.10100	28.9
147.08043	3.9
147.11629	3.2
148.06018	3.1
149.05983	4.6
149.09554	3.0
151.07526	3.5
153.05479	5.3
153.06554	1.5
155.08534	1.7
156.08075	1.9
158.02704	1.8
160.06256	1.7
163.03853	1.3
163.11157	30.1
164.11497	1.8
165.09023	1.7
165.12749	1.6
166.08693	1.4
169.08621	2.0
173.09558	10.4
173.12840	14.6
181.12201	13.6
186.14915	5.0
189.08684	1.8
191.10649	32.5
201.12276	6.1
209.11705	38.2
209.13609	2.1
210.12059	1.5
213.55649	1.2
217.08203	3.3
227.12775	5.3
234.98921	2.2
248.10808	1.3
267.10547	2.1
284.13351	1.5
285.11365	2.2
295.01230	1.3
302.14221	17.8
303.05133	2.0
303.10352	1.5
304.14053	5.8
304.67035	1.5
312.12643	3.2
313.11139	2.0
330.13879	5.4
330.50055	1.4
331.12064	53.6
332.12433	2.6
348.14731	100.0
349.08835	13.0
349.15085	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	347.2976
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	0.9
55.05486	5.1
55.60850	0.6
56.05816	1.3
57.03377	1.0
57.07022	1.8
67.05489	3.6
68.05010	1.0
68.05798	0.7
69.03376	1.9
69.07057	5.4
70.06584	10.1
70.07355	1.0
71.06884	2.6
71.57290	1.2
72.08103	2.7
79.05457	1.9
79.22576	0.6
81.06998	2.6
82.07360	0.7
83.08601	3.4
84.04467	0.8
84.08099	0.9
84.08932	0.8
86.06049	9.1
87.04451	14.9
87.06358	2.4
88.03962	1.3
88.04765	3.4
91.05450	1.1
93.06992	2.6
95.04859	0.8
95.08549	2.4
97.10123	1.5
98.06037	46.9
98.10474	1.0
99.05801	1.1
99.06366	17.2
105.06944	1.9
107.08540	2.1
109.10107	1.8
112.07592	1.0
116.81699	0.7
119.08480	0.9
121.10108	1.5
133.10027	0.7
135.11626	1.1
136.06166	6.8
161.09586	0.7
168.62311	0.6
173.11743	1.5
174.12053	0.8
198.22139	2.8
199.22479	6.8
238.25282	1.1
239.25627	5.7
240.23199	1.9
262.21683	0.6
265.61990	1.0
266.24963	1.0
267.25061	8.4
276.20432	0.8
284.25784	12.4
285.26123	100.0
286.23724	7.9
286.26483	1.7
329.28699	19.8
346.64511	3.1
347.14554	1.0
347.29800	60.8
348.14020	0.9
348.25107	2.6
348.29697	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.2537
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24002	0.4
55.05508	7.7
56.05025	0.8
57.07058	0.8
57.08756	0.5
57.51076	0.5
67.82521	0.4
68.05022	9.0
69.07060	5.6
70.06575	0.9
70.46066	1.9
70.46416	0.5
71.08630	0.8
76.93273	0.5
81.07053	1.4
83.08608	9.3
84.04498	42.4
84.08131	0.5
85.02890	3.6
85.04829	0.8
86.06054	1.2
95.08604	1.2
96.04486	5.6
97.10152	3.9
98.06039	1.7
101.07124	1.1
101.36256	0.4
102.05543	3.6
104.39458	0.4
106.60677	0.5
110.07209	0.4
114.05520	38.4
115.05891	0.8
124.07576	0.5
130.04990	46.7
131.05322	1.2
135.11810	0.4
136.06155	0.6
142.04982	42.1
143.05255	0.7
145.10162	0.4
154.15993	0.5
156.17453	3.9
156.94164	0.4
170.08112	0.6
182.18979	0.7
194.19014	4.1
220.20581	0.5
222.18515	6.1
239.21078	3.2
240.19577	1.9
268.19055	28.0
269.19376	2.0
285.21701	100.0
286.19598	7.7
286.22501	2.3
289.82159	0.5
311.23343	1.7
323.99527	0.5
329.24326	17.3
330.24759	0.8
347.25467	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.221
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	6.1
55.05495	13.9
57.07061	6.7
59.04971	4.8
67.05497	20.3
69.03407	10.1
69.07058	9.4
70.06567	6.2
71.57232	3.4
72.08148	4.6
74.06057	3.3
76.08423	3.2
79.05486	9.7
81.07051	30.8
83.04964	10.2
83.08601	6.7
84.08120	7.6
86.06049	7.4
87.04456	7.6
91.05473	18.6
93.07025	39.4
95.04928	15.1
95.08595	12.5
97.06544	7.5
98.06039	5.0
99.04382	3.2
101.05989	3.3
105.07005	22.8
107.04887	2.9
107.08560	33.5
109.06518	16.5
109.10151	22.2
111.08105	4.2
117.07000	3.6
119.08573	17.6
121.06486	14.4
121.10124	21.8
123.08051	26.5
125.05947	13.7
131.08488	16.6
133.06476	5.9
133.10112	12.8
135.08035	5.0
136.06146	18.5
137.05931	3.5
137.09608	6.5
139.07552	3.9
143.08513	7.9
145.10121	10.0
147.08092	3.7
147.11711	3.8
149.09625	31.8
151.07507	77.9
157.10146	7.5
159.08192	4.0
159.11647	5.8
161.09552	5.1
165.09074	4.3
167.07028	3.6
167.10638	18.5
171.11612	5.3
173.09569	4.2
173.11708	6.8
173.13237	5.2
174.11966	4.9
177.09085	10.8
189.12706	24.9
197.09586	3.6
207.13783	37.9
215.14352	6.1
233.15332	5.6
237.14786	9.6
243.06181	33.6
249.24248	3.8
255.13678	3.7
273.14868	10.0
276.20355	4.2
286.23645	18.7
291.15903	4.8
311.20178	5.0
315.11890	6.2
329.17303	3.4
329.21155	12.6
330.26401	4.8
347.14627	30.4
347.18237	35.1
347.22147	100.0
347.26169	9.3
348.14828	4.2
348.22412	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	347.1461
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05488	0.5
56.05022	0.4
57.07051	0.5
59.00777	0.3
67.05468	1.4
69.03416	0.7
69.07035	0.7
70.06559	0.6
71.62466	0.6
72.04486	0.5
79.05465	0.7
79.91640	0.3
81.07021	1.6
82.07336	0.4
83.08565	0.4
84.08103	0.8
86.06047	0.4
86.09669	0.4
87.04438	0.7
91.05448	1.1
93.07024	1.2
95.04954	0.5
95.08581	0.9
97.06511	0.5
98.06038	1.7
99.06345	0.3
105.07015	0.6
107.08542	1.1
109.10131	0.7
110.10486	0.4
113.07934	0.6
115.50665	0.4
119.08556	0.5
121.06505	0.3
121.10136	0.6
123.08041	0.8
131.08528	0.5
136.06157	0.8
151.07512	1.3
158.08121	0.4
159.11769	0.4
167.10611	0.5
189.12686	0.4
207.13832	0.6
213.05116	0.5
237.14809	0.4
243.06258	75.8
244.06573	2.6
247.57851	0.4
276.20361	0.6
297.10999	0.8
315.08301	0.7
315.11984	15.0
316.12357	0.6
347.14612	100.0
347.21896	2.9
347.26184	2.2
348.14899	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	347.1318
Annotation	Nordercitin
Peak:m/z	Relative Intensity
50.83278	0.7
53.03939	1.1
54.33225	0.6
55.01861	2.4
55.05505	27.2
56.05021	0.9
57.03415	2.7
60.04510	2.1
61.02918	0.8
65.03930	0.6
67.05480	0.9
69.03423	8.0
69.07058	1.1
70.06579	7.1
71.01324	0.9
71.04980	1.9
71.13214	1.7
72.08152	4.1
73.02898	1.5
73.17464	0.6
74.06049	0.8
79.05475	1.0
81.03405	2.2
81.07048	1.5
83.04961	0.9
83.08611	19.0
83.15907	0.7
84.04476	2.1
84.08137	6.5
85.02898	11.4
85.06535	1.5
86.09692	6.6
87.00834	3.4
87.03289	0.7
87.04462	2.1
87.10021	1.3
91.05467	1.7
93.07034	1.6
95.04979	0.8
95.08587	1.1
95.88331	0.7
97.02287	0.8
97.02879	9.7
99.04433	1.3
99.08085	0.8
100.07599	0.8
101.09624	1.7
105.01848	2.6
105.07015	1.1
107.04946	1.4
109.02835	1.3
110.07149	1.2
115.03929	12.9
119.01921	0.8
119.04948	0.9
120.08091	4.1
123.08026	0.8
125.02341	2.8
125.05991	0.8
127.03889	2.8
129.10194	3.4
130.06538	1.1
133.04932	2.6
136.06180	3.2
137.05962	1.9
137.09564	0.7
138.05424	0.7
145.04906	1.8
145.10106	1.1
147.04391	1.4
148.04720	1.4
149.05978	1.7
151.07544	3.8
151.08595	0.8
153.05466	1.4
156.08041	2.0
161.03285	0.9
161.04443	5.2
164.07005	0.6
166.05853	1.0
167.06871	1.5
167.10661	1.0
175.11957	0.7
179.05510	1.1
185.04268	1.6
185.07874	5.3
189.09064	1.1
191.85941	0.7
196.08344	1.1
201.03929	1.1
203.05264	7.0
213.10228	1.2
219.05006	2.2
220.08403	1.2
230.64082	0.7
238.09323	2.0
241.09628	0.7
247.04395	1.5
255.11879	1.1
284.10034	1.7
285.13068	2.6
287.10233	1.3
301.12552	52.2
302.12936	2.1
303.13953	0.8
311.10455	1.4
329.07727	0.9
329.11407	2.7
331.11981	1.1
347.13055	100.0
348.13675	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	347.1234
Annotation	Miraxanthin-V
Peak:m/z	Relative Intensity
51.03881	0.6
55.01855	3.0
69.47863	5.8
84.04492	1.0
108.04398	0.9
119.71854	0.5
123.64967	0.5
130.09628	0.6
138.05467	0.8
148.07471	0.6
152.03426	1.1
156.08141	0.8
160.03880	1.4
161.04704	0.7
162.05447	1.7
162.97882	0.6
170.08292	0.7
171.09189	0.7
176.07021	0.8
178.04984	2.8
183.09203	0.7
184.06281	0.8
185.07111	1.6
186.07661	0.6
187.04951	2.8
196.07492	0.7
197.07069	1.3
198.09251	1.0
199.08678	5.7
199.12361	0.8
200.09120	0.9
201.06548	3.3
201.10199	1.6
205.03032	0.8
205.06018	1.0
209.10693	1.0
210.09180	1.3
211.08644	1.4
212.10918	0.8
213.06519	5.4
213.10185	5.5
215.11766	0.7
222.07874	1.3
223.08574	0.7
225.06535	1.0
227.04668	0.8
227.08118	8.7
227.11612	3.3
228.10289	0.9
229.09579	3.6
229.13248	0.8
231.07613	4.4
237.10263	2.6
238.08661	2.2
239.08116	1.7
239.11723	1.0
241.05966	0.8
241.09641	4.3
243.07651	0.7
245.09207	1.2
255.07622	8.8
255.11218	5.8
257.09210	1.8
257.12863	1.2
259.07010	0.9
259.10745	0.9
265.09705	4.1
266.08099	1.2
267.07587	1.6
269.09201	8.8
273.08655	5.8
273.11603	0.9
275.10406	0.7
283.07446	1.0
283.10712	19.6
287.10135	2.9
293.09171	5.5
301.11771	4.7
311.10214	42.1
312.10492	2.3
319.12833	1.6
329.11264	66.7
330.11508	3.5
330.15060	0.7
347.12329	100.0
348.12686	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	347.1231
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	3.1
56.42976	0.7
65.99835	0.6
67.51224	0.7
69.87814	1.5
69.88225	2.6
70.06570	1.0
84.04495	1.0
85.02879	1.0
86.92200	0.6
98.20814	0.8
108.04382	0.7
110.06026	0.7
113.11383	0.7
116.33479	0.6
125.49183	0.7
152.03403	1.5
160.03941	1.3
172.07574	0.7
176.06952	1.4
178.04929	2.7
183.09213	0.8
184.06171	0.7
184.07637	0.7
185.07062	1.6
185.10666	0.9
186.09193	0.9
187.04997	1.8
197.06943	0.9
198.07698	0.8
199.08652	4.4
199.12303	0.8
201.06592	2.5
201.10251	1.0
210.09114	1.3
211.08653	1.5
211.71979	0.7
213.06636	4.8
213.10133	4.1
215.11772	1.1
227.08133	6.8
227.11824	2.0
228.10286	1.0
229.09624	3.1
231.07611	3.3
237.10252	2.3
238.08514	2.4
239.08273	1.4
239.11694	0.7
241.09601	3.6
243.11212	0.9
245.09059	0.9
251.07973	1.1
255.07585	9.0
255.11249	6.3
257.09253	1.6
257.12808	1.5
262.65680	0.7
265.09564	3.1
266.08099	1.3
267.07626	1.2
269.09158	7.0
273.08688	5.0
273.12363	1.0
283.07629	0.8
283.10724	15.7
284.11328	0.9
286.75742	0.7
287.10196	2.9
293.09131	5.4
301.11865	3.6
311.10190	34.1
312.10574	2.3
319.12894	1.5
329.11273	51.7
330.11575	4.7
347.12323	100.0
348.12686	7.9
366.15344	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1054
Annotation	Vatalanib
Peak:m/z	Relative Intensity
55.01848	0.4
55.05500	0.5
60.04547	0.2
61.89543	0.2
64.15611	0.2
67.05484	0.7
68.05818	0.2
69.03405	0.3
69.07051	0.7
70.06557	0.4
71.02148	0.4
71.04972	0.3
72.08135	0.3
77.20313	0.3
79.05472	0.7
81.07040	1.2
82.07387	0.3
83.04939	0.4
83.08628	0.6
84.04513	0.5
84.08117	0.7
86.09724	0.4
90.72174	0.2
91.05450	0.7
93.07028	0.8
95.04912	0.4
95.08588	0.4
97.06491	0.4
105.06990	0.5
107.08569	0.8
109.10130	0.4
114.05492	0.5
115.05467	0.3
117.06973	0.3
119.08578	0.5
121.06472	0.2
121.10116	0.5
125.06017	0.3
125.09611	0.9
126.09924	0.4
129.07011	0.3
130.02876	0.9
130.05005	0.5
131.08482	0.3
133.10089	0.4
136.06195	0.3
141.06969	0.4
142.04997	0.3
142.07729	0.2
143.08615	0.3
145.10078	0.4
147.02553	0.3
149.09602	0.3
155.08490	0.3
157.10156	0.3
158.06021	0.2
159.11687	0.2
161.09824	0.2
169.05211	0.5
170.06013	0.5
173.02802	0.3
174.03699	0.5
175.05807	0.3
176.01619	0.9
182.05994	5.9
183.11708	0.2
184.07437	0.3
188.01653	0.4
195.06747	0.3
195.11697	0.3
196.07642	0.2
197.08296	0.5
198.09076	1.6
201.02408	14.1
202.03186	5.4
210.09125	2.3
211.09903	3.0
214.03181	0.3
215.03935	1.8
215.06956	0.3
216.04100	0.2
227.17850	0.3
237.16486	0.3
244.07883	100.0
244.91197	0.2
245.08284	2.5
255.17500	0.3
268.19025	0.2
272.07379	10.8
273.07507	0.3
276.20364	0.4
283.16898	0.8
285.21735	1.2
285.24710	0.2
301.17834	0.6
329.09464	0.3
329.17993	0.4
329.24573	0.2
347.02042	0.3
347.10596	1.5
347.22433	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.3098
Annotation	Funtumafrine C
Peak:m/z	Relative Intensity
53.38907	0.1
55.05505	2.1
56.05025	1.5
57.07069	1.8
58.06586	1.2
60.04501	0.3
67.05486	0.2
69.07056	3.3
69.34698	1.5
70.00396	0.1
70.06557	0.3
71.08616	1.0
74.06069	1.4
75.72037	0.1
81.07014	0.2
83.08599	2.1
85.10172	0.7
86.06046	0.3
88.07617	6.6
95.08537	0.3
97.10156	3.0
102.09109	0.3
106.06470	0.2
111.11699	1.9
118.06519	4.2
118.08649	1.3
118.19893	0.1
119.07268	0.2
120.08006	0.2
122.08125	0.9
125.13210	0.3
130.06509	0.2
131.07135	0.2
132.08058	1.3
133.08780	0.6
134.09593	0.2
136.06178	0.9
146.09630	4.5
148.04149	0.4
149.72415	0.1
151.09787	0.4
158.09657	0.1
160.11099	0.6
162.09113	7.7
163.09663	0.2
172.11160	0.1
174.12645	0.2
176.07071	1.9
176.10675	4.0
177.11440	1.1
178.12157	0.1
187.02811	0.1
188.14265	0.2
190.08618	1.2
190.12230	8.3
191.09238	0.3
199.20543	2.0
202.15852	0.4
204.10179	1.1
204.13808	1.5
204.17361	0.3
216.17316	0.5
218.11755	0.3
218.15242	0.5
218.18896	0.3
230.18970	0.3
232.16888	0.7
232.20490	0.4
244.20697	0.2
246.18533	1.0
246.20828	0.2
246.21986	0.1
260.20065	0.9
260.23456	0.4
261.86554	0.1
262.21460	0.2
274.21429	0.5
276.22940	0.2
284.29413	0.9
298.31021	4.9
302.28381	9.7
303.28427	0.4
314.21295	0.3
328.29166	0.2
328.32407	0.3
346.27127	12.0
346.30780	100.0
347.22031	0.6
347.27402	0.8
347.31168	4.5
347.37357	0.2
360.93112	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	346.3099
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	1.6
56.05001	0.5
57.07070	1.3
60.95848	0.2
67.05461	0.6
67.62117	0.2
68.68542	0.2
69.06727	0.2
69.07054	2.7
71.08624	0.9
71.63203	0.3
74.06050	0.5
79.05431	0.3
80.22508	0.2
81.07007	0.4
83.08604	2.1
85.10152	0.4
88.07608	2.5
93.07013	0.4
95.08581	0.5
97.10151	2.7
102.09136	0.2
102.78259	0.2
105.06958	0.2
107.04907	0.6
107.07286	0.3
111.11733	1.4
112.02784	0.2
118.06517	4.5
118.08578	0.4
121.10115	0.2
125.13251	0.3
129.29028	0.2
131.07278	0.2
132.08061	1.9
133.08813	0.7
134.09589	0.5
136.06133	0.8
146.09615	2.8
147.10408	0.3
148.04218	0.3
148.11206	0.2
149.01169	0.4
156.03535	0.3
160.11227	1.4
162.09109	5.6
173.17697	0.2
174.09055	0.2
174.12674	0.3
176.10677	5.2
177.11392	0.8
188.14215	0.2
190.12238	4.5
193.24008	0.2
199.20551	1.4
204.13802	1.3
217.64951	0.2
218.15297	0.4
232.16870	0.6
246.18370	0.4
258.22095	0.2
260.20020	0.4
284.29303	0.7
298.31049	1.8
302.28357	12.2
303.28687	0.5
305.11957	0.3
314.21222	0.4
328.29727	0.5
329.85922	0.2
346.30902	100.0
347.17017	0.8
347.21579	0.4
347.31299	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	346.3096
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	0.7
56.73440	0.2
57.03419	0.3
57.07077	1.3
58.06586	0.4
62.18066	0.2
62.72678	0.2
67.05480	0.9
69.07044	1.0
69.87859	0.4
69.88271	1.2
70.06586	2.3
71.08622	0.5
72.71036	0.2
79.05464	0.4
81.07037	1.0
83.08609	0.4
87.04465	0.4
88.07619	2.8
93.07040	0.6
95.08577	1.0
102.09151	1.5
105.06985	0.3
106.06484	0.4
107.04938	13.4
107.08588	0.4
109.10152	0.6
118.06521	4.2
119.03573	0.5
119.07318	0.7
120.08025	0.3
129.06966	0.3
130.06502	0.4
132.08075	2.4
133.08833	0.4
136.06165	23.0
137.04575	0.6
137.06587	0.3
146.09631	4.6
160.11192	0.6
162.09105	5.3
174.12834	0.4
176.07062	2.9
176.10681	4.8
177.07130	0.2
177.11415	0.8
178.12260	0.4
190.08575	1.5
190.12244	9.0
191.09409	0.5
202.15811	0.6
202.94408	0.3
204.10211	2.3
204.13795	1.6
204.17361	0.4
216.17415	0.6
218.11873	0.4
218.15321	0.8
218.19014	0.4
230.18979	0.5
232.16922	0.7
232.20622	0.3
246.18575	1.3
246.22134	2.6
260.16663	0.4
260.19745	0.6
260.23706	1.1
262.21689	0.3
274.21503	0.4
279.23059	0.4
284.26541	0.2
284.29443	5.5
302.28372	9.8
329.24744	0.4
346.26819	29.4
346.31033	100.0
347.22141	0.3
347.27094	2.1
347.31345	4.6
359.05499	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.2945
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05293	0.4
55.05507	4.5
56.05039	0.4
57.07063	1.3
65.40093	0.4
67.05492	1.9
68.05021	0.6
69.03425	3.1
69.07054	5.6
70.06580	10.8
70.08844	0.4
70.80546	0.8
70.80937	0.9
71.08601	0.8
72.08144	2.0
78.60553	0.4
79.05470	0.5
81.07042	1.7
83.08607	3.7
84.04482	0.4
84.08127	1.0
86.06047	9.9
86.09669	0.7
87.04452	15.3
91.05456	1.0
93.07028	0.6
95.08600	1.7
97.10159	1.9
98.06036	60.7
99.06403	0.6
102.05559	0.5
104.07063	0.5
105.07010	0.5
107.08611	0.5
109.10142	1.0
112.07566	1.2
125.09672	0.4
167.19936	0.4
173.11728	2.3
198.22142	10.1
238.25218	5.6
266.24747	9.3
267.24756	0.4
275.19995	1.3
284.25781	100.0
285.26086	4.7
311.18985	0.5
328.28394	20.0
328.32388	0.9
329.28748	0.5
346.29471	56.5
347.13025	2.2
347.29773	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	346.2733
Annotation	Himbacine
Peak:m/z	Relative Intensity
53.91478	0.4
55.05476	1.2
57.07071	1.8
67.05482	0.5
69.03388	0.6
69.07040	1.2
69.88255	0.7
69.88676	1.2
70.06576	3.9
71.08612	0.7
71.37434	0.3
79.05453	0.3
81.07002	0.4
83.08582	0.8
86.06036	1.1
87.04449	17.3
88.04787	0.4
88.07599	2.2
91.05430	0.3
93.07022	0.3
95.08572	0.4
98.06037	7.3
99.11856	0.3
101.05992	0.7
104.10692	0.8
106.08655	0.5
109.31376	0.3
114.09106	0.8
117.06944	0.4
118.06506	7.0
118.08645	0.4
132.08044	5.5
132.10176	4.0
133.08870	1.7
134.09612	1.1
136.06160	7.6
146.09613	3.9
148.11147	0.6
150.11227	2.3
160.11215	1.7
162.12766	0.8
198.22282	0.7
232.13353	0.4
232.20535	3.3
243.21643	0.3
248.04263	0.3
254.00577	0.3
260.23685	50.7
261.23981	2.9
266.24692	1.1
284.25790	11.3
284.29047	0.7
285.26004	0.5
301.00021	0.4
302.30392	1.0
305.03079	0.4
323.10443	0.5
324.01797	0.3
328.28497	2.1
346.27313	100.0
346.33105	16.3
347.27588	7.1
347.33551	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40851	0.3
55.05501	1.0
57.03426	0.4
57.07057	0.9
67.05482	1.4
69.07048	0.9
69.89482	1.6
70.06575	1.1
71.08618	0.4
81.07040	1.1
81.40171	0.2
83.08593	0.7
85.10172	0.3
88.07614	1.6
94.04022	1.0
95.08575	1.5
102.09158	1.0
107.04946	0.4
109.10165	0.6
116.83140	0.3
118.06502	1.4
119.03518	2.4
119.07304	0.9
120.08024	0.3
136.06152	100.0
137.04555	3.0
137.06587	1.4
155.10448	0.2
180.39957	0.3
196.56198	0.3
204.10118	0.4
246.22156	5.1
247.22488	0.3
260.23557	0.3
284.29379	3.4
302.23373	1.3
346.25934	77.4
346.33017	8.1
347.21777	1.3
347.26239	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	346.2579
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	28.9
67.05493	64.3
69.07056	37.3
71.04977	4.8
79.05479	47.2
81.07039	95.2
83.04977	6.9
83.08601	19.3
85.06523	7.1
90.10300	3.7
91.05473	33.5
93.07028	45.8
95.04948	5.6
95.08572	26.2
97.06530	11.4
97.10139	11.7
98.20689	8.7
105.07005	34.0
107.08581	44.2
109.06503	6.5
109.10124	18.3
111.08075	10.5
114.89969	4.7
117.07005	12.7
119.08565	27.3
121.06480	4.9
121.10103	19.7
122.23154	3.8
123.11674	8.5
125.09616	14.2
127.98391	3.9
130.85805	3.8
131.08524	16.8
131.47171	3.7
132.62616	4.4
133.10141	29.6
135.11681	14.2
145.10074	9.6
147.11673	16.5
149.09584	12.7
149.13243	35.6
155.10692	4.6
159.11687	17.7
161.13116	5.8
163.11133	8.7
173.11858	21.7
173.13167	8.8
177.12709	13.0
189.11267	8.1
195.13780	76.8
213.14799	55.4
257.18948	13.7
275.20013	100.0
276.20291	7.9
285.21613	4.4
293.21075	16.1
338.83197	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.1856
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.2
55.01849	1.6
55.05513	3.7
56.05013	1.9
57.03417	1.7
57.25872	0.7
58.99565	0.8
60.04509	3.0
61.02911	3.8
66.27220	0.7
66.49139	0.7
67.05479	2.8
68.05827	0.8
69.03425	7.4
69.07066	0.8
69.29320	7.4
70.06580	7.4
71.04971	2.3
72.08143	17.6
73.02882	0.9
74.06075	1.6
79.05458	2.7
81.03405	6.4
81.07049	2.6
82.03747	1.1
83.04980	0.9
84.04485	2.2
84.08154	3.8
84.08583	0.8
85.02892	29.8
86.09686	9.4
87.04451	1.0
88.03996	1.8
91.03948	1.8
91.05466	4.3
93.07021	0.9
95.04955	1.8
95.08608	1.4
96.08926	1.0
97.02868	7.3
99.04430	1.6
105.07024	1.2
107.04935	100.0
107.08582	1.4
108.05284	1.8
109.02872	6.0
109.06493	0.7
109.10155	3.7
110.03192	2.0
110.07172	1.3
110.10458	4.8
119.08556	0.9
120.08076	1.8
121.06483	1.3
121.10118	0.8
122.02757	1.0
124.07549	1.4
127.03890	6.2
127.08652	0.8
129.10234	3.0
131.04910	2.6
131.08572	1.7
132.10176	2.8
133.06456	0.9
134.17763	0.7
135.04256	0.8
136.07478	0.7
137.05952	3.4
137.09601	7.3
138.06325	1.4
138.09927	8.0
141.10265	0.9
142.08615	1.8
143.08601	1.1
145.04935	8.2
145.06070	0.9
145.06456	0.8
147.04340	0.7
149.05936	5.4
149.08389	1.8
149.09589	35.5
161.05867	1.4
161.09602	2.2
163.06053	1.4
163.07454	1.7
164.07951	1.1
165.09096	4.5
166.09468	6.2
168.92412	0.7
169.09773	1.1
173.05945	2.8
175.07762	0.7
180.08643	3.1
184.10524	0.8
184.13200	1.0
185.09544	1.4
185.16376	0.9
187.10739	5.8
189.09067	4.0
197.09471	1.4
200.13818	0.8
201.12355	1.2
203.13988	1.0
206.09033	1.7
207.10138	4.6
215.07169	1.1
215.10394	8.5
233.08005	1.7
233.11700	2.1
241.09691	1.1
247.12933	2.4
257.11658	1.6
275.12814	2.0
283.10382	0.9
285.12393	0.9
294.80209	0.7
303.13284	2.0
311.09827	1.1
328.14780	3.9
329.11127	1.2
346.10834	1.0
346.16455	0.8
346.25940	2.0
347.12363	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	346.149
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	3.7
53.44499	0.9
55.01860	3.3
55.05484	2.9
56.05022	8.3
57.03428	5.1
58.06575	1.6
58.99562	1.0
60.04504	4.2
61.02917	10.3
67.05477	3.9
68.05017	1.5
69.03416	16.1
69.07045	3.7
70.02934	1.6
70.06583	14.6
71.04977	8.4
71.62753	1.9
72.08141	15.1
73.02895	3.6
73.08449	1.7
74.06071	16.1
76.02206	2.0
79.05482	36.7
81.03408	9.0
81.07043	13.3
82.06572	1.6
84.04491	9.8
84.07616	1.6
84.08128	31.8
85.02890	100.0
85.08456	2.1
86.03225	1.6
86.09691	73.0
87.04419	1.7
87.05572	2.3
87.10014	4.9
88.03979	2.7
91.03933	7.8
91.05465	6.3
93.07037	5.3
95.04933	3.7
95.08595	1.2
97.02270	1.6
97.02867	24.7
97.06516	10.3
99.04431	4.4
100.07557	1.1
101.07101	4.7
102.05517	1.9
103.05434	9.2
103.07581	2.2
105.03374	4.5
105.07010	2.2
107.04932	26.6
107.08580	2.1
108.05215	1.1
109.02855	8.4
109.06519	1.4
110.05968	1.3
110.07154	3.5
116.07065	2.5
117.06977	2.1
119.04903	1.2
119.08519	1.1
120.08089	6.4
121.06483	83.1
122.02699	8.4
122.06859	2.6
123.04404	1.6
124.02323	2.3
125.05970	60.4
126.06285	1.4
127.03891	27.1
128.04214	1.2
128.06209	1.5
129.10219	28.9
130.04971	1.1
130.10556	2.8
131.04927	3.5
133.10083	1.5
135.04364	2.0
136.07541	3.6
137.05920	4.6
137.09671	1.1
139.07500	4.1
139.08504	1.1
142.12222	3.0
143.08536	1.4
143.11777	2.6
145.04932	46.4
145.10001	1.4
147.04398	2.3
148.04659	1.2
149.05951	8.0
155.08191	1.2
155.11713	1.9
157.13278	1.2
161.09605	3.1
163.03922	1.5
163.05992	13.3
165.05434	1.3
167.07019	15.9
170.24115	1.0
171.08098	1.4
177.09042	1.4
179.10638	3.3
180.08752	1.6
184.13260	1.1
185.16557	1.3
187.07471	1.1
187.14394	25.0
188.14661	3.5
189.09021	4.0
198.07422	1.2
199.17990	8.9
205.08569	1.2
206.08862	1.6
207.10101	16.2
211.10574	1.1
215.13933	5.6
225.11166	3.5
227.17500	4.5
228.13417	1.7
229.11670	1.2
229.13663	3.1
230.14915	3.1
245.11314	1.7
262.13925	5.9
264.10275	1.3
300.27173	1.1
310.11020	2.0
311.17767	1.1
328.12048	2.8
328.22021	1.9
329.11499	3.9
346.13126	7.0
346.18652	2.0
346.25934	2.3
347.08521	1.3
347.12274	6.8
347.15982	1.6
363.18469	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	346.149
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	3.7
53.44499	0.9
55.01860	3.3
55.05484	2.9
56.05022	8.3
57.03428	5.1
58.06575	1.6
58.99562	1.0
60.04504	4.2
61.02917	10.3
67.05477	3.9
68.05017	1.5
69.03416	16.1
69.07045	3.7
70.02934	1.6
70.06583	14.6
71.04977	8.4
71.62753	1.9
72.08141	15.1
73.02895	3.6
73.08449	1.7
74.06071	16.1
76.02206	2.0
79.05482	36.7
81.03408	9.0
81.07043	13.3
82.06572	1.6
84.04491	9.8
84.07616	1.6
84.08128	31.8
85.02890	100.0
85.08456	2.1
86.03225	1.6
86.09691	73.0
87.04419	1.7
87.05572	2.3
87.10014	4.9
88.03979	2.7
91.03933	7.8
91.05465	6.3
93.07037	5.3
95.04933	3.7
95.08595	1.2
97.02270	1.6
97.02867	24.7
97.06516	10.3
99.04431	4.4
100.07557	1.1
101.07101	4.7
102.05517	1.9
103.05434	9.2
103.07581	2.2
105.03374	4.5
105.07010	2.2
107.04932	26.6
107.08580	2.1
108.05215	1.1
109.02855	8.4
109.06519	1.4
110.05968	1.3
110.07154	3.5
116.07065	2.5
117.06977	2.1
119.04903	1.2
119.08519	1.1
120.08089	6.4
121.06483	83.1
122.02699	8.4
122.06859	2.6
123.04404	1.6
124.02323	2.3
125.05970	60.4
126.06285	1.4
127.03891	27.1
128.04214	1.2
128.06209	1.5
129.10219	28.9
130.04971	1.1
130.10556	2.8
131.04927	3.5
133.10083	1.5
135.04364	2.0
136.07541	3.6
137.05920	4.6
137.09671	1.1
139.07500	4.1
139.08504	1.1
142.12222	3.0
143.08536	1.4
143.11777	2.6
145.04932	46.4
145.10001	1.4
147.04398	2.3
148.04659	1.2
149.05951	8.0
155.08191	1.2
155.11713	1.9
157.13278	1.2
161.09605	3.1
163.03922	1.5
163.05992	13.3
165.05434	1.3
167.07019	15.9
170.24115	1.0
171.08098	1.4
177.09042	1.4
179.10638	3.3
180.08752	1.6
184.13260	1.1
185.16557	1.3
187.07471	1.1
187.14394	25.0
188.14661	3.5
189.09021	4.0
198.07422	1.2
199.17990	8.9
205.08569	1.2
206.08862	1.6
207.10101	16.2
211.10574	1.1
215.13933	5.6
225.11166	3.5
227.17500	4.5
228.13417	1.7
229.11670	1.2
229.13663	3.1
230.14915	3.1
245.11314	1.7
262.13925	5.9
264.10275	1.3
300.27173	1.1
310.11020	2.0
311.17767	1.1
328.12048	2.8
328.22021	1.9
329.11499	3.9
346.13126	7.0
346.18652	2.0
346.25934	2.3
347.08521	1.3
347.12274	6.8
347.15982	1.6
363.18469	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	345.2994
Annotation	Aggreceride C
Peak:m/z	Relative Intensity
55.05500	13.0
57.03427	8.4
57.04279	1.6
57.07068	100.0
67.05495	25.0
69.07053	16.3
70.69202	5.2
71.08619	77.1
71.50272	1.5
72.08954	1.6
79.05466	2.1
81.07044	42.5
83.08604	24.9
85.10172	38.3
95.08591	55.2
97.10146	20.9
98.20879	1.9
102.61079	1.9
109.10140	27.9
111.11723	7.4
117.07233	1.6
121.10138	1.8
123.04400	11.9
123.11687	12.1
125.13203	2.3
135.04413	7.4
137.13228	6.1
139.14828	1.7
148.69374	1.7
151.14783	3.3
153.76627	2.1
161.09587	2.2
190.12300	1.8
197.62326	1.8
199.44971	2.5
235.24188	3.7
242.21088	1.8
253.25198	27.6
271.26263	6.4
286.27319	5.1
302.28415	2.4
312.28741	3.2
327.28867	83.3
328.29309	2.3
345.21951	3.6
345.33405	45.1
346.30972	22.0
346.34631	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	345.2993
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	9.4
57.03402	4.9
57.07062	52.8
58.32432	1.5
67.05204	1.7
67.05487	17.0
68.05813	1.5
69.07050	9.8
71.04955	2.0
71.08620	41.4
71.58076	3.5
75.04429	2.4
81.07050	21.6
81.61211	1.7
83.08604	18.6
85.10160	24.4
91.05449	2.7
93.07019	2.2
95.08589	30.4
97.10148	14.0
97.84788	1.9
99.11705	2.5
105.06976	2.9
109.10137	18.2
111.11674	4.2
123.11700	10.8
123.70565	1.7
132.08011	5.0
132.72723	1.7
133.08380	2.8
137.13206	3.0
146.09602	4.9
147.10045	3.4
151.14813	1.7
159.11658	1.9
160.11188	7.8
161.11488	2.4
174.12741	1.8
196.70633	1.9
200.66512	2.0
235.24260	2.3
253.25180	20.1
257.38040	1.7
271.26050	2.9
327.28851	54.3
328.29367	2.9
334.63052	1.9
345.33368	100.0
346.23709	2.2
346.30606	21.9
346.34222	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	345.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63750	0.5
55.01864	1.0
55.05511	0.7
56.05026	0.9
56.96286	0.7
56.96556	10.9
57.03411	2.2
58.99852	1.3
60.04499	0.7
60.05630	1.5
61.01143	0.9
61.02910	3.7
69.03413	2.4
69.07043	2.0
69.90203	2.7
70.06582	13.2
70.98091	1.6
71.04968	1.1
72.08141	7.2
73.02905	1.8
74.06068	0.6
77.00883	1.4
80.05001	0.8
81.03403	1.0
81.04519	5.0
82.06564	0.7
82.99844	0.6
84.04479	1.5
84.08128	6.8
84.96008	0.8
85.02893	7.6
86.09691	55.0
87.10035	0.7
88.03939	0.7
88.99146	0.9
91.02388	1.0
97.02871	2.7
97.06533	2.7
97.44287	0.6
98.21481	0.9
98.97590	3.1
99.02647	0.7
99.04459	0.9
100.02499	0.6
101.00826	3.5
103.03889	0.7
104.10717	0.8
106.00935	0.5
106.05051	0.6
109.03515	0.8
110.07144	0.7
110.97533	0.8
112.08714	2.1
113.00844	0.6
115.02418	0.7
115.08664	1.2
116.07115	1.3
116.98613	2.0
117.01871	1.2
118.01044	0.8
118.03498	2.5
119.01900	23.3
121.01666	0.7
122.07131	43.7
123.05523	0.7
123.07498	0.8
126.03726	6.5
127.01494	1.4
127.03963	2.6
128.98553	1.7
129.10213	2.0
130.03471	1.3
130.05037	1.1
130.08640	0.6
131.01903	3.1
132.10159	3.1
133.01520	0.6
133.03461	1.0
134.99634	1.9
136.04485	1.0
136.06200	1.2
136.07539	1.3
137.02936	11.7
141.01242	1.2
142.03435	0.8
142.07115	1.6
142.12065	0.6
143.01852	1.2
143.11781	1.7
144.05014	1.1
144.08673	2.0
145.03445	2.1
145.04961	1.0
146.99664	3.3
147.04388	1.1
147.07663	1.0
147.11220	0.7
148.03873	1.5
148.04825	1.0
149.01192	1.1
149.02921	4.2
150.01849	0.8
150.05548	0.7
152.05667	4.3
152.06767	0.9
153.04053	0.5
154.07101	0.8
156.01836	0.8
157.02501	1.0
158.09232	0.7
158.99721	0.9
160.06415	1.3
160.08171	4.2
161.01109	0.8
161.02882	1.3
162.09760	3.4
162.99086	0.8
163.04631	0.7
164.06972	1.1
165.00729	1.7
165.05539	0.8
166.04945	5.8
167.04007	1.2
168.08693	1.5
170.95992	0.6
171.14836	0.6
172.04439	1.3
172.08167	11.6
172.97511	1.3
172.99332	0.6
173.02908	1.6
173.06546	2.0
173.08060	0.7
174.09737	0.9
174.99377	1.2
175.00853	8.6
175.11906	1.9
176.01151	0.8
177.00766	1.7
177.02348	0.8
178.07654	0.9
183.01727	0.6
183.07607	3.2
184.01193	0.6
184.05930	1.1
185.02902	1.1
186.09735	22.7
187.00871	0.6
188.05920	1.0
188.97083	0.9
189.00636	0.7
189.02338	1.1
190.09204	3.0
190.98618	4.2
191.00171	0.8
191.02011	1.1
191.04007	1.1
191.07539	1.2
192.03955	0.7
193.00317	0.9
193.01910	3.9
197.02982	0.6
197.06506	1.4
198.02711	1.0
201.00697	0.8
204.10793	10.8
205.00092	1.2
205.01904	1.1
206.06967	2.2
207.03511	1.3
208.10268	2.2
208.96153	0.6
208.99680	1.8
209.11270	0.7
212.02602	0.7
212.11311	0.7
214.02319	1.0
214.09209	32.7
215.00302	1.3
215.07587	2.1
219.01822	1.1
219.08044	1.2
223.01199	1.0
224.01453	3.8
224.08022	4.2
224.99010	0.6
225.17088	0.7
226.02391	1.6
228.05743	1.6
232.10275	100.0
232.96472	1.2
232.99680	1.3
233.03302	0.9
233.08453	1.1
233.10652	2.8
233.53656	0.5
235.02844	2.8
237.02763	1.0
239.15988	1.5
240.10384	1.6
240.14331	1.2
242.03560	3.1
242.15735	0.7
243.00031	4.0
243.01909	0.8
245.04938	1.6
247.02878	1.6
248.08076	1.9
248.99167	1.3
250.97791	0.6
251.00673	1.0
255.02011	0.7
255.11856	6.9
257.01443	1.3
257.17242	2.8
258.11838	0.9
258.15503	0.8
260.07919	0.7
263.00806	0.6
265.08392	0.6
267.15488	1.6
270.99475	1.2
273.16702	0.9
273.99213	0.7
275.02548	2.5
275.05365	0.6
275.18030	4.1
276.07480	1.1
281.01849	1.0
282.11172	1.1
285.16525	13.7
286.05933	1.7
286.14783	1.2
289.00339	0.9
294.08649	0.7
299.03479	1.1
299.13870	1.7
303.01999	2.6
303.17603	61.1
304.07043	2.5
304.17899	2.4
313.00192	0.7
320.04129	0.6
321.18619	5.8
322.07950	0.6
323.03015	0.7
326.19095	3.0
328.11664	1.7
328.19638	1.0
345.07532	0.9
345.13712	1.6
345.18610	1.4
345.22281	14.4
346.04794	0.6
357.42465	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1693
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	0.8
51.08285	0.8
53.03925	2.2
55.01862	0.9
55.05496	0.7
57.14413	0.7
64.65065	0.6
65.03931	0.6
67.05498	7.3
69.03413	2.4
69.07026	0.8
69.85152	4.0
70.06576	1.8
71.04979	1.4
72.08124	2.1
79.05480	2.3
81.03403	13.3
81.07030	4.5
84.08128	1.8
86.09699	4.0
89.14451	0.6
91.05462	5.2
93.07030	2.1
94.04169	3.6
95.04954	1.9
95.08605	4.6
96.62047	0.7
98.97570	1.7
99.04453	3.4
103.05447	9.2
105.07015	5.3
105.69366	0.7
107.04910	1.9
107.08622	1.2
109.02874	12.5
109.06487	2.2
109.10146	14.6
116.07037	0.7
117.07013	1.8
119.08562	3.4
121.06523	1.6
122.03633	8.7
125.06000	1.0
127.03918	1.1
128.06201	0.9
129.07008	0.9
131.04892	9.3
133.06474	17.4
135.08012	6.1
137.05960	100.0
137.09589	30.6
138.06296	2.8
138.09967	1.3
143.04962	0.7
145.06470	3.3
147.08046	1.5
149.05917	0.9
151.07515	6.0
155.10670	3.6
157.06564	1.2
161.30896	0.6
163.07515	32.1
165.09091	21.6
166.09465	0.9
175.07516	1.2
177.09116	1.4
183.10149	3.2
186.16818	0.9
187.07440	0.8
187.14334	1.0
189.09018	1.4
201.11240	4.1
203.10634	1.7
235.10933	0.8
244.99559	0.9
245.09589	0.8
263.10699	1.8
295.13162	4.2
309.13135	1.7
327.14322	7.3
345.15576	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1175
Annotation	Teuhircoside
Peak:m/z	Relative Intensity
52.11794	1.2
53.03932	9.5
55.01862	4.2
55.05505	7.9
56.05024	2.2
57.03429	7.1
58.03838	1.1
60.04525	1.5
61.01141	1.2
61.02933	2.0
67.05505	3.8
68.99786	4.1
69.03416	40.9
69.07060	6.7
70.02940	1.5
70.06583	17.3
70.22164	2.3
70.22572	3.5
71.04989	9.1
71.31199	1.1
72.08146	43.5
74.06062	4.1
79.05476	12.4
81.03404	45.7
81.07035	5.0
83.01298	1.2
83.04965	1.7
84.04508	4.0
84.08127	11.0
85.02894	41.9
85.04015	1.4
86.09692	100.0
87.00799	15.0
87.05564	7.3
88.03962	1.8
91.05465	5.7
93.07046	3.6
95.04970	8.0
97.02872	9.2
97.06514	19.4
98.02390	2.2
98.06052	1.2
99.04434	17.9
99.09151	1.8
101.07115	2.1
102.05524	1.6
103.03934	1.5
105.01849	3.1
105.07014	2.8
107.04928	4.5
107.08600	2.0
109.02861	35.0
109.06519	2.4
109.10154	1.3
110.02422	3.2
110.07126	1.9
111.04423	1.2
112.08720	2.7
115.07580	1.8
115.08722	1.6
116.07094	4.6
116.42085	1.0
118.08648	2.4
119.04896	2.0
120.08070	1.7
121.06500	7.6
121.10192	1.2
122.02712	3.0
125.05989	4.1
127.03893	72.7
127.08669	6.4
128.04192	1.4
128.10687	2.6
129.01842	2.2
129.10245	5.9
131.08607	1.7
131.11810	1.5
132.10143	1.3
133.06458	1.5
135.04427	2.0
135.08032	2.7
137.05983	6.5
137.09615	3.7
138.09146	4.2
139.07600	1.6
141.05472	1.2
141.10229	5.6
145.04874	2.7
147.02994	1.4
147.04384	5.0
147.07991	1.4
148.04758	7.7
149.09656	1.4
151.07492	1.8
152.07039	16.4
153.05482	1.2
161.05959	1.6
163.07539	5.0
165.05484	4.8
165.09079	4.1
166.05824	3.8
166.08615	1.5
169.09679	2.8
173.09148	6.7
173.12852	2.0
177.09016	2.5
183.09973	1.3
183.11304	11.8
186.12396	6.4
187.07428	1.6
187.10767	2.0
187.14432	4.5
189.03944	1.5
194.08095	2.0
197.09224	1.4
198.07619	10.2
200.13928	8.1
205.08575	8.7
211.10776	6.2
213.03951	3.6
214.11861	6.6
215.10234	7.3
223.09596	2.8
228.13405	35.8
231.04933	10.7
232.12854	11.6
282.18066	13.6
300.19101	3.0
327.10318	1.9
327.20248	1.5
328.18628	5.5
345.21432	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	344.3307
Annotation	Unknow
Peak:m/z	Relative Intensity
61.85780	0.5
71.63347	0.9
71.63747	1.0
89.06010	0.7
93.46425	0.5
107.07333	0.9
118.06532	6.7
120.08113	0.7
131.07262	0.8
132.08086	4.8
133.08791	1.7
145.52861	0.5
146.09624	12.9
160.11208	1.4
174.12746	0.9
193.89014	0.6
194.93793	0.6
202.15927	0.8
216.17441	1.3
230.19130	0.7
244.20570	1.2
246.22113	1.0
344.33075	100.0
345.33472	3.8
345.37085	0.5
366.10977	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.2425
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18733	3.2
53.03925	4.4
55.01861	10.8
55.05494	16.3
57.03412	6.9
67.05499	80.8
68.04431	3.6
69.03421	8.8
69.07056	25.1
69.56079	13.0
69.56504	16.4
69.98362	3.9
70.06567	6.5
71.04983	5.2
74.06103	4.4
79.05479	59.4
81.04521	6.3
81.07040	80.7
83.04975	17.9
83.08597	8.2
84.08141	8.9
86.09683	4.6
91.05464	79.0
93.07034	55.6
95.04961	13.5
95.08599	45.1
97.02880	4.3
97.06523	11.4
105.07018	73.0
107.04926	20.9
107.08581	42.7
108.08124	5.8
108.08852	4.3
109.06506	9.8
109.10138	24.9
111.08080	4.8
117.06999	13.8
119.08578	44.6
121.06470	8.6
121.10137	36.1
123.08051	35.7
123.11707	7.7
125.09650	5.9
129.06979	11.0
131.08549	30.7
133.06497	9.1
133.10110	100.0
133.11070	6.9
135.08052	8.0
135.11703	10.5
136.11093	4.3
137.09567	4.7
141.06990	5.2
141.09085	5.0
143.08537	9.3
145.10089	19.9
147.08003	6.0
147.11676	48.8
149.09558	29.9
149.13268	6.2
150.12781	6.3
151.07506	46.3
151.11092	6.7
153.09116	4.0
155.08484	3.9
157.10107	17.0
159.11754	7.2
161.09621	11.4
161.13220	5.3
163.11159	13.3
165.12737	21.5
171.10220	3.9
171.11624	9.5
173.13281	9.4
175.11136	29.3
185.13226	6.5
187.11029	5.4
191.10504	4.6
193.12199	45.8
199.14935	4.0
203.10576	6.4
205.51538	4.2
211.13252	47.3
213.16422	8.1
218.95978	3.7
227.17950	13.4
237.16165	4.0
240.48828	4.0
245.19003	7.1
255.17461	9.0
273.18484	46.9
291.19601	23.9
300.19580	41.8
343.72412	4.1
344.22186	35.0
344.26080	8.9
345.22733	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	344.2427
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	3.6
55.01858	7.7
55.05503	21.3
56.05009	5.4
57.03424	25.3
63.42402	2.7
65.03919	3.4
67.05493	54.6
67.42489	2.5
69.03421	5.4
69.07061	76.3
69.27856	20.5
69.28279	10.8
70.06577	4.5
71.04981	44.0
73.02903	3.3
79.05483	45.5
81.03408	37.4
81.06576	3.6
81.07047	63.9
83.04941	7.9
83.08598	8.8
84.08078	2.9
85.06521	7.9
88.04176	2.4
91.05476	41.2
93.07034	43.8
95.04952	54.1
95.08587	34.9
97.06514	100.0
97.10146	6.3
99.08075	12.7
99.12128	2.4
105.04414	2.6
105.07014	28.2
107.04917	10.6
107.08575	22.9
109.06496	25.4
109.10126	15.4
111.08045	8.6
113.05973	7.1
115.05433	3.2
115.07551	56.0
116.01656	10.1
117.07001	18.5
119.08572	23.3
121.06473	9.4
121.10133	15.1
123.08022	7.9
123.11707	2.4
125.09610	5.8
127.07532	3.2
129.06972	10.7
129.19995	2.8
131.08545	24.8
133.06467	2.7
133.10110	14.1
135.08040	11.9
135.11647	10.9
137.09586	5.4
141.06976	4.4
143.08565	6.1
145.10117	19.3
147.08018	5.4
147.11594	5.4
149.09549	7.0
149.13261	13.3
157.10080	8.0
159.11679	22.6
161.09598	7.0
161.13220	3.8
162.02196	3.9
163.11113	2.9
165.09100	6.1
171.11639	6.6
173.13185	7.8
175.11113	4.8
177.12741	12.9
183.11731	5.4
183.19440	3.2
185.13240	3.6
187.11096	6.1
189.11157	3.1
195.13719	13.0
201.12593	3.6
205.12114	3.5
212.16281	3.0
217.15848	6.4
219.13753	4.6
221.15282	3.0
223.13231	14.0
227.17937	2.8
233.15274	3.5
255.17516	3.3
273.18469	18.4
291.19397	19.1
344.20868	22.4
344.27936	35.6
345.10422	3.1
345.20377	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	344.2424
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	13.3
55.01868	13.0
55.05501	70.1
56.04991	6.9
57.03419	20.8
57.07056	4.8
59.05009	5.9
59.95809	5.9
60.52175	4.8
66.51595	5.2
67.05494	65.9
68.05025	7.9
69.03423	9.9
69.07059	44.0
70.06583	13.2
70.21098	4.9
71.04993	22.7
71.36766	11.7
72.55019	6.1
79.05482	85.7
81.03392	35.7
81.07037	69.3
81.59994	5.8
82.06560	7.8
83.04967	16.1
83.08588	30.0
84.04504	31.9
85.06528	10.2
86.09692	11.5
88.07629	5.9
91.05441	38.1
92.22407	6.1
93.07028	100.0
95.04954	32.4
95.08590	39.8
96.04469	8.7
96.08131	5.8
97.06512	22.9
97.10160	58.5
105.07000	25.5
107.04910	16.3
107.08581	29.5
109.06517	25.0
109.10156	15.9
109.56704	5.2
111.07976	5.8
112.07571	12.8
113.05974	28.3
114.05522	21.0
117.06998	9.0
119.08556	21.5
121.10150	27.2
123.08053	22.2
125.09608	53.6
129.07013	8.4
130.05003	18.4
131.08539	13.5
133.10149	16.0
135.08073	7.5
135.11708	9.4
142.04973	9.3
143.28120	5.6
145.10104	9.0
147.11679	6.5
149.09584	9.8
157.10117	7.0
159.11678	10.2
161.09631	6.6
161.13396	6.8
165.09117	6.2
175.11046	5.7
177.12619	7.1
187.11038	6.5
189.11194	42.7
203.37032	5.5
221.15305	6.9
223.13271	22.8
241.14261	6.2
250.23636	6.3
273.18494	23.3
283.20828	7.2
288.05005	6.2
288.97885	21.9
291.19434	37.7
300.21216	15.7
300.23819	22.7
302.95776	58.1
305.98849	8.4
306.98926	40.5
308.21939	8.6
309.20535	9.4
326.14960	15.0
326.23160	11.6
329.98141	33.3
344.24109	26.9
345.00473	25.9
347.99347	41.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.242
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	5.7
55.01831	3.5
55.05501	36.4
56.66668	3.6
57.03418	14.4
57.07075	4.8
67.05490	52.7
69.03408	5.6
69.07056	22.7
69.53896	32.6
69.73300	4.2
70.06558	8.4
71.04965	10.6
74.98896	3.6
76.84488	3.8
79.05475	54.1
81.03410	21.1
81.07032	41.0
83.04962	11.5
83.08616	26.5
84.04473	7.0
84.08100	7.2
85.02881	5.0
85.06520	7.1
86.06044	4.7
91.05463	24.0
93.07014	59.3
95.04953	17.0
95.08601	30.7
97.06500	11.0
97.10162	27.5
98.06039	11.4
99.08019	4.0
105.07008	16.9
107.04949	10.1
107.08583	26.4
109.06484	10.9
109.10137	17.6
110.07127	3.9
111.05523	8.1
111.08099	3.9
112.98050	4.2
113.05975	10.7
114.05508	8.2
117.06980	9.2
119.08556	17.6
121.10113	22.1
123.08025	19.2
125.09589	16.8
129.06995	5.9
130.05000	5.6
131.08527	7.4
133.06429	4.8
133.10080	4.7
135.08020	9.5
135.11678	4.7
137.09535	10.2
142.04921	4.9
145.10065	8.0
147.11571	4.2
149.09599	7.4
159.11650	6.5
175.72124	4.4
177.12625	5.4
189.11172	32.5
200.20026	8.0
200.67145	5.3
221.15346	7.8
223.13329	20.6
242.21101	16.2
263.20218	3.9
270.96829	9.1
273.18359	5.0
287.98245	3.7
288.97885	58.7
291.19440	20.5
300.23541	12.5
302.95828	100.0
302.99292	8.7
304.00281	4.2
305.98608	14.5
306.98953	78.9
309.20547	7.9
311.99335	8.7
326.23865	4.1
328.98544	8.2
329.98114	72.4
340.01794	4.3
344.33203	4.7
345.00439	45.7
347.99213	86.4
360.70248	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	344.1336
Annotation	Unknow
Peak:m/z	Relative Intensity
55.99315	0.6
57.03424	1.4
61.02900	1.6
67.49615	0.5
69.03425	2.8
69.62900	4.0
71.04977	0.8
73.02892	0.7
77.59315	0.6
81.03378	1.4
85.02892	16.6
87.04464	0.7
91.03973	0.8
91.05478	3.2
97.02877	3.1
109.02891	1.8
116.07046	0.8
119.04932	14.1
123.04409	1.4
127.03928	2.5
145.04980	4.6
147.04395	100.0
148.04753	2.0
165.05460	66.3
166.05844	0.7
180.08609	2.6
182.08095	1.7
193.25153	0.6
201.14264	0.5
221.93913	0.5
291.08777	0.5
344.13379	1.5
349.53976	0.5
355.08621	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.1699
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	0.8
53.19481	0.4
55.01865	0.6
57.03422	1.0
58.99037	0.4
61.02915	2.0
69.03419	3.2
69.49971	3.8
69.50298	0.8
71.04966	0.4
73.02890	0.5
81.03400	1.1
85.02893	14.0
91.03935	1.0
91.36720	0.5
97.02885	4.1
99.04423	0.7
105.25681	0.4
107.04939	100.0
108.05300	1.4
109.02857	1.7
123.72647	0.4
127.03883	2.9
145.04950	3.5
147.08116	0.4
150.55649	0.4
165.09090	25.4
173.05978	0.7
180.08638	3.6
182.11734	2.4
196.64935	0.4
216.16711	0.4
275.70346	0.4
344.17001	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	344.1159
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.7
55.05491	1.5
56.05024	1.5
57.03423	1.9
58.99583	8.4
60.04497	1.7
60.17657	0.8
62.08455	0.6
67.05493	1.4
69.03411	2.3
69.07059	1.1
69.54676	6.2
70.06577	8.2
70.17711	0.7
72.08150	8.5
76.02216	18.6
79.05507	3.7
81.03410	1.4
84.04488	2.9
84.08139	5.6
85.02894	4.3
85.66254	0.8
86.09696	10.0
86.99043	7.2
88.03979	1.3
89.06012	1.9
91.05471	14.2
93.07045	4.9
95.04918	0.9
97.02870	2.3
97.82395	0.6
99.04443	1.3
100.11244	0.8
102.05486	0.8
103.05466	1.3
105.00075	11.6
105.07014	17.8
107.04940	16.5
107.08578	2.6
110.06032	0.8
110.07169	1.6
115.05439	1.7
116.06230	2.6
116.07081	5.3
117.07005	9.3
119.04947	1.3
119.08561	1.4
120.08099	1.5
121.06490	13.6
121.10148	2.3
122.02711	100.0
123.03004	1.0
129.06972	2.9
129.10252	3.8
131.04922	2.4
131.08549	42.4
132.04398	1.0
133.06415	0.8
133.08604	1.0
133.10121	4.2
135.04372	1.3
135.08054	2.2
136.07518	1.5
137.05942	1.0
137.09705	0.8
141.07001	1.0
145.06468	1.1
147.04402	6.8
149.05969	4.5
149.09612	10.1
159.08034	18.6
161.09596	5.3
163.07515	1.3
165.05475	3.7
165.09093	3.4
177.09081	50.5
178.09460	1.9
179.03352	4.9
180.03743	4.2
181.03938	2.9
182.04187	3.0
182.08150	1.9
182.11743	1.0
186.12386	1.6
187.07516	13.0
201.12395	2.2
205.08586	6.4
223.09624	3.8
239.99275	0.8
308.09543	2.5
327.20328	1.0
341.85934	0.8
344.11560	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2585
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16532	0.4
55.01860	0.5
55.05262	0.5
55.05503	7.8
56.05012	1.4
57.03421	0.3
57.07066	1.9
58.02950	0.7
60.04510	1.8
67.05491	3.0
68.05011	2.1
69.07053	9.8
70.02927	1.1
70.06568	2.6
70.12101	1.6
71.04965	0.6
71.08601	1.1
72.04497	0.4
73.02896	1.2
74.02430	0.8
79.05459	1.0
80.01725	0.4
81.07048	3.6
81.07478	0.6
82.06570	2.2
83.04965	0.4
83.08604	7.2
84.04485	2.9
84.08102	1.3
85.06487	0.3
85.10146	0.6
86.02422	2.1
86.09654	0.4
87.05574	7.5
88.02180	0.3
88.03976	5.3
91.05456	0.9
92.55105	0.4
93.07007	1.1
95.04955	0.8
95.08577	3.8
96.04477	0.6
96.08083	1.8
97.06460	0.4
97.10148	5.3
98.09666	1.3
99.00800	1.1
100.03958	2.0
102.05526	4.3
105.07021	0.6
107.04869	0.5
107.08598	0.7
109.10120	2.3
110.06011	1.0
110.09676	0.6
111.11655	1.8
112.11185	0.4
114.05526	2.4
115.45723	0.3
119.04915	0.5
121.10135	0.5
123.11640	0.7
128.03419	1.0
128.07054	3.1
133.06129	0.5
142.08641	3.1
147.04326	1.6
149.94116	0.3
156.10178	0.9
161.06067	0.4
163.11046	0.4
182.18967	0.6
184.20566	4.8
185.20760	0.4
193.12076	0.4
194.19009	24.1
195.19342	0.9
196.20567	4.5
199.92421	0.4
208.20462	1.6
210.22110	3.2
211.13261	0.6
220.20572	0.7
236.20013	3.9
238.21603	0.6
240.19548	21.5
241.19926	0.8
253.22707	9.2
254.21085	9.8
255.24266	0.7
282.20593	16.1
283.21048	0.7
299.23230	100.0
300.21323	13.5
313.06979	1.6
325.24841	3.1
343.11737	2.2
343.20123	1.2
343.25793	1.4
344.12262	0.4
344.28207	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2838
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02919	1.9
53.03929	3.7
55.05500	16.5
56.96552	3.2
57.07067	50.3
59.05000	2.4
65.03925	2.6
67.05492	35.0
69.02134	2.0
69.03408	6.1
69.07059	47.1
70.06584	11.6
71.01292	2.6
71.04987	8.7
71.08605	5.8
71.63184	4.7
72.08141	3.6
79.05065	2.4
79.05486	32.8
81.03397	4.6
81.07047	100.0
83.04964	7.3
83.08172	2.5
83.08597	13.7
83.34909	2.5
84.04493	4.0
84.08141	7.7
85.02877	5.9
85.06055	4.6
85.06532	56.4
86.09677	7.4
88.04024	2.2
91.05458	20.5
93.07034	59.3
95.04969	10.8
95.06097	2.9
95.08594	68.9
97.06511	11.6
97.10142	7.8
99.08070	3.2
103.05481	2.4
105.07005	23.2
107.04941	34.4
107.08584	40.3
109.06518	10.0
109.10142	39.2
110.07150	22.3
111.04394	2.6
111.07439	5.8
111.08151	12.4
111.11710	4.3
119.08571	19.2
121.06503	3.0
121.10122	35.5
122.02772	5.4
122.97495	2.4
123.07958	4.8
123.11693	35.5
125.09589	3.7
127.03910	3.9
127.07562	3.0
129.10173	2.3
129.77693	2.3
131.08560	5.0
132.55469	2.3
133.10152	15.5
135.04382	5.1
135.08025	5.5
135.11688	25.6
137.05911	3.5
137.09608	5.1
137.13246	16.9
139.07530	17.6
139.11151	7.6
141.12781	3.0
145.10083	7.1
147.11676	18.3
149.05956	6.9
149.09653	3.1
149.13237	12.0
151.11127	11.2
153.12750	5.5
159.11685	7.5
161.13185	7.2
163.11160	10.1
163.14810	4.5
165.12767	4.7
175.14743	2.9
177.16379	5.0
181.12225	8.8
189.16373	4.9
191.10646	62.9
201.16385	2.8
207.31026	2.5
215.17975	3.5
223.13239	6.2
271.10968	3.3
271.24158	6.0
279.22516	2.4
289.25150	11.5
307.26245	11.5
343.12131	5.7
343.24124	18.6
344.24402	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	343.2373
Annotation	Tetrahydrosecodine
Peak:m/z	Relative Intensity
50.86684	0.5
53.03947	0.7
55.01849	0.7
55.05511	3.1
57.07070	8.2
67.05504	3.3
67.91952	0.6
69.07049	1.9
71.63297	0.9
79.05489	4.2
80.04991	1.2
81.03407	0.8
81.05788	1.4
81.07049	2.9
82.06582	0.7
90.09309	0.6
91.05461	2.8
93.05756	0.8
93.07029	0.8
94.06549	15.3
95.04959	1.3
95.07352	1.8
95.08603	1.7
96.08114	17.8
103.05456	1.1
105.07029	1.6
106.06550	1.8
108.08142	1.0
109.06541	0.8
109.10139	0.9
110.06071	1.0
115.05411	1.2
117.05772	1.1
117.06973	0.9
118.06528	2.5
119.08571	1.5
119.92782	0.7
120.08100	4.4
121.07604	5.2
122.06010	4.7
129.06953	0.7
130.06496	4.4
131.07236	0.8
131.08612	0.8
132.06839	0.7
132.08043	3.5
133.07591	2.1
134.08426	0.9
134.09572	0.9
138.09116	3.9
141.06946	0.9
142.06493	2.0
143.07249	2.6
144.08069	2.6
145.06622	0.7
145.07596	3.4
146.05968	1.0
146.08395	3.1
146.09546	1.6
147.09186	2.3
156.08040	4.4
157.07703	1.2
157.08846	5.4
158.08374	1.5
158.09631	12.8
159.09148	11.3
159.10358	1.0
160.07559	2.1
160.09906	4.2
161.07040	0.8
161.10779	0.9
167.07315	1.5
168.08118	2.1
170.09648	2.9
171.09105	1.5
172.07651	1.0
172.11147	1.3
173.10727	8.0
174.09117	1.6
174.11530	1.3
175.08630	0.7
175.12209	0.8
179.08615	0.9
181.08810	0.9
182.09677	1.5
183.09137	7.0
183.10588	0.7
183.13751	0.7
184.07574	2.1
184.09946	2.5
185.07053	1.3
185.08406	0.8
185.10744	1.9
186.09148	2.0
187.08643	1.0
189.10228	2.0
191.59120	0.7
192.17494	0.9
197.10768	2.3
198.09261	1.0
198.82326	0.6
199.10008	1.3
199.12285	0.9
200.10703	1.2
201.10214	12.0
201.12013	0.9
202.07690	0.7
202.10944	2.1
203.08615	0.8
207.13737	0.7
215.08600	1.9
215.11838	1.7
216.09331	1.7
217.10129	1.5
225.10213	1.8
227.11935	1.3
228.17479	1.4
229.10144	1.6
231.08115	0.8
231.11621	1.3
232.08575	0.7
240.23259	2.3
242.19014	1.7
244.08704	1.0
244.12102	2.4
245.09665	2.2
245.12453	0.6
245.20137	1.6
256.20602	2.4
257.09662	1.1
258.10419	1.2
259.11127	1.4
260.20062	1.0
266.18893	1.6
283.21683	4.8
284.20096	12.6
287.20853	0.9
301.22708	23.6
302.21176	2.5
325.22714	2.9
328.12515	0.9
343.14859	2.4
343.20468	9.8
343.23828	100.0
344.24609	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	343.2263
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
53.03930	2.5
55.01852	2.6
55.05508	17.0
57.03423	5.2
57.07060	8.0
59.04979	2.8
67.05500	18.5
67.19094	2.6
69.03407	9.6
69.07047	4.3
69.44873	18.7
71.04980	15.9
79.05492	16.7
79.38052	2.1
81.07043	24.3
83.04981	5.6
83.08583	5.7
84.37056	2.3
85.06525	4.5
91.05472	21.8
93.06458	3.6
93.07034	54.1
95.04961	38.2
95.08595	52.5
95.09222	3.0
97.06519	14.7
98.06042	2.2
98.10606	2.8
105.07017	58.2
107.08582	35.7
109.06493	14.1
109.10159	3.7
115.05470	4.6
117.07006	21.9
119.04971	2.4
119.08563	22.9
121.06487	15.9
121.10123	13.6
123.08063	19.2
123.31629	2.3
128.88498	2.3
129.07005	4.1
130.07784	16.3
131.08539	12.1
133.06499	5.3
133.10107	13.7
135.08041	16.4
135.11696	10.7
137.09537	4.7
142.07759	3.6
143.08528	8.9
145.10101	53.8
147.08049	11.4
147.11670	4.7
149.09604	4.2
151.07533	34.6
153.09055	3.2
156.09291	3.5
157.10097	8.8
159.08037	3.2
159.11699	8.2
161.09604	3.8
163.11147	48.6
164.11560	3.5
165.09077	10.1
169.10106	4.6
171.11678	9.3
173.09708	5.7
175.11229	5.7
177.09143	5.3
179.06882	3.3
181.09944	3.4
181.12317	3.6
183.11740	3.5
185.13339	3.2
187.11198	6.6
189.12698	7.8
191.14296	3.0
195.11899	2.8
197.13339	4.8
203.14209	6.6
207.13808	6.3
209.15318	3.4
221.15303	23.8
228.89343	2.3
233.15359	4.4
233.39453	2.4
234.38910	2.6
242.48444	2.5
263.16452	7.7
269.15335	4.4
286.19290	4.2
287.16473	3.4
299.27802	4.8
310.38608	2.8
325.21799	11.1
343.22644	100.0
343.29935	4.8
344.22980	7.6
364.21149	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	343.2263
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
50.62383	1.3
53.03926	2.6
55.01857	3.3
55.05494	13.5
57.03411	6.3
57.07077	7.6
57.07296	1.1
59.04982	4.8
67.05496	18.7
69.03416	7.6
69.07042	6.1
69.57224	11.5
70.55368	1.3
71.04984	17.9
73.02937	1.4
77.63039	1.5
79.05474	14.0
80.53267	1.8
81.03374	1.7
81.07041	22.4
83.00134	1.6
83.04939	4.3
84.08141	2.0
85.06538	3.0
91.05463	21.9
93.07030	42.8
95.04950	38.6
95.08589	55.9
97.06516	12.5
98.05999	1.6
99.97341	1.4
103.05454	3.3
105.07011	50.5
107.04945	4.4
107.08580	36.0
109.06493	10.7
109.10122	4.0
115.05415	3.9
117.07008	18.8
119.08569	20.9
121.06493	8.5
121.10128	11.3
122.07154	1.4
123.04384	2.8
123.08034	16.9
125.05966	2.9
128.06194	2.9
129.06982	6.7
130.07756	11.2
131.08527	5.3
133.06468	4.5
133.10100	12.2
135.04422	1.5
135.08023	17.6
135.11676	9.6
137.05937	2.2
137.09544	3.6
143.08507	8.7
145.06467	3.2
145.09023	3.0
145.10097	48.9
147.08012	10.8
147.11699	3.3
149.05934	4.6
149.09554	3.4
151.07512	29.0
153.09126	2.4
156.09369	1.9
157.10135	5.6
159.08035	2.9
159.11662	7.1
161.09590	5.8
161.13266	2.7
163.03844	3.2
163.11150	44.9
164.11450	1.6
165.09076	10.6
169.10054	2.8
171.11684	3.2
173.09540	3.6
173.13219	3.1
175.11174	1.7
177.09077	3.0
179.06969	2.1
179.10553	1.5
181.10162	1.5
181.12183	2.0
181.15892	1.8
183.11636	2.3
185.09637	1.6
187.11169	6.0
187.14835	2.0
189.09097	1.8
189.12691	6.7
191.10637	2.2
191.14333	3.1
193.12154	2.2
195.11673	2.5
197.13229	2.8
201.12692	3.1
203.14279	5.8
207.13716	4.0
209.15338	2.4
221.15341	20.1
233.15282	2.0
235.09450	1.6
240.23244	5.6
241.15733	1.8
245.15268	1.7
246.98166	1.4
263.16434	6.1
269.15344	2.9
286.19144	2.7
299.27664	3.6
307.20514	2.3
316.46304	1.8
325.21631	9.1
343.22617	100.0
344.22858	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	343.2262
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
53.03917	1.4
55.01853	4.0
55.05501	11.6
57.03414	5.3
57.07048	6.7
59.04974	4.4
65.03917	1.8
67.05495	13.0
69.03413	7.6
69.07030	4.2
70.22390	2.6
70.22803	4.7
71.04984	12.6
79.05475	15.0
81.03391	2.5
81.07053	18.5
83.04966	3.2
83.08598	3.0
85.06526	3.4
86.74030	1.5
91.05471	20.3
93.06461	2.8
93.07032	47.5
95.04953	41.7
95.08588	43.5
97.06502	9.6
98.21411	2.1
103.05434	2.0
105.07016	49.8
107.04945	4.2
107.08580	36.7
109.06491	11.2
109.10147	2.4
113.48508	1.3
115.05429	3.3
117.07008	18.1
119.08575	17.8
121.06504	11.7
121.10141	11.6
123.08046	18.6
125.05967	2.0
125.09570	1.6
128.06168	2.0
129.06975	2.6
130.07773	10.2
131.08553	6.1
133.06464	3.4
133.10124	9.7
135.08037	15.7
135.11671	10.1
137.06009	1.6
137.09547	3.8
142.07745	3.8
143.08524	6.2
145.06470	1.8
145.10103	57.0
146.10443	1.5
147.08009	11.1
147.11630	5.9
148.86615	1.5
149.09563	4.8
151.07523	34.5
153.09106	2.4
157.10104	8.2
159.11671	5.1
161.09550	7.8
161.13208	3.5
163.11159	38.3
165.09117	9.1
169.10092	2.2
171.11708	4.9
173.09589	3.6
173.13225	3.1
175.11136	4.4
177.09047	3.9
179.07036	3.3
181.12286	2.5
183.11641	2.1
185.13232	2.4
187.11203	3.4
189.12694	6.6
191.14313	2.0
203.14276	7.1
207.10074	2.3
207.13731	4.6
209.13332	1.5
209.15166	3.1
211.14613	1.7
215.14352	2.5
221.15341	25.1
223.14763	2.0
225.12724	1.9
227.14363	2.1
229.15720	1.8
233.15337	2.4
240.23128	2.4
241.15829	2.2
243.14046	1.5
259.16962	2.5
263.16400	4.3
267.17389	1.4
269.15414	2.5
274.19260	2.2
283.20554	1.5
285.18506	1.8
286.19254	3.4
287.16443	1.7
287.19772	1.6
299.27643	2.6
306.93472	1.6
325.21494	9.9
343.22638	100.0
344.23062	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2261
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50440	0.8
55.01856	0.9
55.05491	2.9
55.74290	0.7
56.96548	1.6
57.03399	0.8
57.07074	7.8
58.06580	1.9
67.05479	5.4
69.03400	1.8
69.07042	3.1
69.42719	6.8
70.06571	1.3
71.04987	0.8
71.08628	5.3
72.08096	0.9
77.03835	0.7
79.05490	4.6
81.07037	6.0
83.04937	1.2
83.08603	3.7
83.94009	0.7
84.08147	0.8
85.10184	3.5
91.05450	3.6
93.07029	5.8
95.04948	6.0
95.08595	7.7
95.11121	0.7
97.06499	1.7
97.10124	1.5
98.06011	1.1
98.20695	1.3
105.07011	4.0
107.04922	1.4
107.08585	4.3
109.10120	4.3
111.08017	0.8
117.06993	0.9
119.08551	2.9
121.06457	2.0
121.10099	4.0
123.08082	1.2
123.11631	0.9
129.06949	1.1
130.06514	2.2
131.08562	2.6
133.10094	3.0
135.08014	1.6
137.05913	0.7
139.00258	1.0
142.07745	0.9
143.08525	2.4
144.08040	2.8
145.10135	1.9
146.05945	1.5
147.11600	0.9
149.09625	2.0
157.10106	1.7
159.07996	1.2
159.11714	1.4
161.09567	1.1
167.10661	4.0
168.08060	3.8
169.10059	1.3
173.13205	1.2
183.17433	3.1
185.09566	1.0
193.98756	1.2
195.11807	1.0
209.13312	1.1
233.15424	1.1
235.06381	0.8
240.23181	100.0
241.23520	2.3
243.03328	0.9
247.14864	1.0
249.97774	1.1
250.01424	2.9
253.97261	0.9
254.44057	0.9
260.04718	0.9
261.04373	2.4
263.95557	2.3
268.02521	1.6
277.05579	0.7
278.05826	1.6
279.01654	3.4
279.05347	14.1
280.20618	1.6
282.24225	1.2
296.79013	0.8
297.02646	10.5
297.06390	8.7
298.02838	0.9
302.03180	6.4
302.06973	4.6
303.03772	0.8
320.04181	3.7
320.07571	1.2
321.05884	2.6
325.21689	1.3
326.21109	9.2
326.26764	1.1
327.21259	0.8
338.08072	0.8
339.07465	1.1
343.05759	1.3
343.11749	1.8
343.23465	3.6
343.29626	1.9
354.16257	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2263
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
53.03921	3.6
55.01852	3.7
55.05296	1.2
55.05503	12.6
57.03423	6.9
57.07066	7.5
59.04977	3.8
62.74609	1.1
65.03928	1.5
65.59008	1.2
67.05488	18.7
69.03419	8.7
69.07059	6.3
69.95686	3.0
69.96100	3.8
71.04979	15.9
73.28003	1.1
79.05473	15.8
81.03398	3.0
81.07047	24.1
83.04965	5.9
83.08595	3.8
85.06532	3.0
87.04433	1.4
91.05463	23.5
93.07027	53.6
94.07391	1.5
95.04346	2.6
95.04949	42.1
95.08587	57.2
96.08914	1.4
97.06515	17.8
98.21435	1.6
103.05460	2.4
105.07014	60.3
106.07372	1.5
107.04924	3.1
107.08577	40.0
108.08897	1.1
109.06485	11.4
109.10139	4.7
113.09508	1.6
115.05420	5.4
117.06989	22.1
119.08562	24.4
121.06479	13.7
121.10126	15.7
122.07247	1.4
123.08054	22.6
125.05946	2.8
125.09623	1.5
128.06233	2.0
129.06970	4.0
130.07771	12.7
131.08527	4.9
133.06448	5.1
133.10129	11.4
134.07317	1.2
135.08037	19.6
135.11665	13.9
137.05939	2.3
137.09563	4.9
138.65680	1.1
141.06976	1.5
142.07745	3.9
143.08542	9.9
144.09384	1.4
145.06470	1.8
145.10100	66.9
146.10396	1.8
147.08025	10.4
147.11673	5.1
149.09599	4.9
149.13106	1.4
151.07520	32.8
153.09038	2.3
155.08522	3.5
155.10701	1.4
156.09273	2.8
157.10126	7.9
159.08049	3.7
159.11673	7.4
161.09627	7.8
161.13216	3.0
163.07486	2.3
163.11159	49.0
163.88290	1.2
165.09094	13.3
169.10066	3.2
171.11685	5.7
173.09587	4.7
173.13240	3.0
175.11073	3.7
177.09042	3.3
179.07025	4.4
179.10619	1.4
181.10132	2.7
181.12314	1.6
182.10732	1.3
183.11693	2.6
185.13272	2.2
187.11165	5.9
187.14702	1.6
189.09006	1.7
189.12717	8.0
191.14220	2.8
195.11580	3.3
197.13258	3.6
199.11122	1.9
199.14828	1.5
200.58434	1.3
201.12796	1.6
203.14352	6.8
207.10031	2.2
207.13763	5.4
209.13242	2.7
209.15300	3.1
211.14893	1.5
213.12648	2.1
215.14194	2.8
217.93823	1.4
221.13326	1.7
221.15320	26.5
223.14758	2.1
225.16330	1.4
227.14297	1.9
233.15309	4.3
240.23238	1.5
241.15883	2.0
245.15387	1.8
247.16974	1.2
259.16995	2.3
263.16327	6.9
267.17325	1.6
269.15338	2.8
274.19302	1.4
286.19119	2.8
287.16449	3.4
287.19876	3.0
299.27689	3.1
307.20511	2.0
325.21518	10.9
343.22629	100.0
344.22989	4.9
360.22934	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1746
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	3.6
55.01861	5.6
55.05491	3.2
57.03431	7.2
57.07037	1.4
60.04498	1.6
60.17948	1.3
61.02911	7.7
65.85960	1.3
67.05473	3.5
69.03075	1.7
69.03418	22.7
69.07049	2.0
70.06583	16.5
71.01342	1.6
71.04961	4.5
71.57563	2.1
72.08143	7.1
73.02901	4.2
75.02281	1.1
79.05477	6.8
81.03403	11.5
81.07031	10.9
83.04953	5.3
83.08585	2.4
84.04479	2.1
84.08128	6.8
85.02890	65.2
85.06519	2.6
86.09685	13.8
87.04439	5.0
87.10022	2.1
91.03918	4.3
91.05475	6.4
93.07024	14.6
95.04957	27.8
95.08575	5.0
97.02878	23.5
97.03879	1.3
97.06497	4.7
99.04432	5.5
100.11241	6.4
103.05462	1.3
105.06374	1.4
105.07013	14.1
107.04926	11.4
107.08577	14.0
109.02883	7.0
109.06493	14.8
109.10148	2.1
110.07082	1.5
111.08055	1.5
116.07064	3.0
117.06996	4.1
119.04874	1.8
119.08559	9.3
120.08088	1.4
121.06481	6.0
121.10121	19.3
123.04400	8.8
123.08028	4.6
125.05973	11.0
127.03905	16.4
129.10172	3.5
129.71552	1.0
130.07762	2.9
131.08604	1.6
133.10083	1.8
135.08005	2.7
135.11670	11.6
136.07565	1.5
137.05911	3.7
137.09593	2.3
137.13225	1.8
137.23201	1.5
143.08514	1.3
145.04933	20.5
145.10092	19.5
147.04372	1.7
147.11670	8.3
147.48920	1.1
148.08743	1.3
149.05936	1.5
149.09599	1.9
161.09526	1.9
163.07491	2.7
163.11153	100.0
164.11449	4.3
165.09077	3.6
165.12720	14.4
165.75053	1.3
166.13078	1.3
177.05501	1.4
181.08577	1.7
181.12210	51.9
182.12535	2.7
185.16374	1.4
190.04681	1.4
201.05426	1.6
202.10634	1.3
205.12213	2.6
223.13239	4.9
235.21866	1.3
265.08276	1.4
276.97287	1.2
293.08163	1.4
307.15131	2.2
325.10858	3.2
325.16281	1.4
343.11737	2.0
343.17322	6.6
343.30527	5.3
344.17795	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1745
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02351	0.6
53.03936	1.1
55.01848	2.6
55.05505	1.9
56.05026	0.7
57.03429	4.8
57.07076	1.1
58.06586	1.4
61.02917	4.6
67.05485	1.8
69.03078	0.9
69.03419	15.3
69.07037	2.0
70.00030	2.4
70.00440	1.3
70.06580	7.4
71.01318	0.9
71.04988	3.9
72.08134	3.8
73.02892	1.6
79.05494	4.8
81.03413	6.2
81.07033	8.3
83.04963	6.5
84.04484	1.4
84.08147	3.5
85.02893	33.2
85.06517	0.9
86.03202	0.6
86.09693	8.1
87.04434	1.6
87.10039	1.3
91.03938	2.1
91.05465	5.5
93.07027	11.4
95.04351	1.0
95.04953	17.8
95.08597	1.8
97.02869	10.8
97.06502	3.1
97.21323	0.6
99.04426	2.7
103.03915	1.1
103.05434	1.0
105.07021	9.1
107.04945	15.4
107.08575	11.7
109.02867	3.7
109.06503	3.1
110.07101	0.9
111.04378	0.9
111.08054	1.1
115.05426	1.3
117.06968	3.2
119.08578	6.5
120.08092	0.7
121.06482	4.1
121.09296	1.1
121.10123	15.8
123.04411	31.6
123.08035	2.7
125.05970	12.6
127.03893	8.1
129.06992	1.8
129.10220	1.8
130.07774	3.7
131.08652	1.5
133.06450	1.4
133.10124	1.7
135.04398	0.8
135.08020	2.5
135.11671	8.9
135.80891	0.6
137.05963	2.8
137.09598	0.8
143.08492	1.3
145.04950	9.4
145.06049	1.2
145.10095	16.4
147.04373	1.1
147.08028	2.0
148.08812	0.9
149.09557	0.6
157.06422	0.7
161.05983	1.0
161.09633	2.1
163.07539	5.1
163.11151	100.0
164.11517	2.6
165.05455	0.7
165.09125	4.5
165.12761	4.7
167.06984	0.9
175.11151	1.7
177.05368	0.9
177.09219	0.8
181.12199	18.1
183.07867	0.7
183.10043	1.1
185.16435	1.1
187.07372	0.8
187.11121	0.8
189.05424	3.0
196.54533	0.7
205.12221	2.2
221.08131	1.0
223.13272	1.6
255.05139	0.8
283.08578	1.2
307.15414	1.2
325.10654	1.2
325.16245	1.1
343.04608	1.4
343.11469	8.5
343.17480	5.5
344.11734	0.9
344.16788	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1205
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02976	0.5
55.01873	2.2
55.05515	1.8
57.03425	0.6
57.07070	1.1
62.58609	0.6
63.68318	0.5
65.03946	0.7
67.05503	2.4
69.03427	2.1
69.07066	1.1
69.85300	1.4
69.85719	2.8
70.06584	9.4
71.04986	0.9
72.08126	0.8
79.05495	2.3
81.03365	1.0
81.07055	1.3
83.01292	1.1
83.04974	3.4
84.04511	0.6
84.08138	2.9
85.02919	1.1
85.06538	4.0
85.28991	0.6
86.09710	1.9
86.99025	0.9
91.05466	13.0
93.07030	4.2
93.32210	0.5
95.04972	2.6
97.02900	1.0
97.06525	0.8
98.21532	0.7
99.04448	0.8
100.11230	0.7
103.05444	3.2
105.03386	13.8
105.07018	7.9
107.04935	3.0
107.08576	2.2
109.02917	0.7
109.06494	0.9
110.07159	0.7
111.04430	1.2
111.08040	1.0
115.05437	2.7
116.01685	0.8
117.07006	8.6
119.04955	1.3
119.08562	2.7
121.06492	17.1
121.10135	1.0
123.08061	0.8
128.06200	6.3
129.07019	1.4
129.10202	1.0
130.07794	1.1
131.04880	0.9
131.08560	2.1
133.02785	0.7
133.06476	4.2
133.10118	4.3
134.07225	0.8
135.08025	1.1
137.05969	6.0
138.06282	0.9
143.04874	1.9
143.08551	10.5
145.06505	3.3
145.10115	5.1
146.07307	0.8
147.04401	1.8
147.08023	2.0
149.05974	1.0
149.09637	3.1
151.03853	1.1
151.07552	1.0
152.06157	1.0
153.05534	0.8
153.06934	1.6
160.05170	2.8
160.79375	0.7
161.04588	1.4
161.05959	30.0
161.09593	15.8
162.02229	0.8
162.06381	0.6
162.10359	0.9
163.07538	1.4
163.11137	2.1
165.05469	2.3
171.08003	8.2
173.06015	0.6
174.06732	1.2
175.07487	1.3
177.06848	0.7
181.08644	0.7
186.03061	1.3
187.03705	0.9
189.09084	100.0
190.09647	5.3
193.08574	21.8
194.07214	1.4
194.08856	0.9
201.05441	3.0
205.06464	2.1
207.10161	3.1
221.11694	88.7
222.06732	2.2
222.12152	3.1
233.05919	2.9
234.06697	1.0
237.09047	2.2
239.06972	1.1
246.14848	0.7
249.05324	1.2
249.94113	0.7
250.06186	2.8
251.07019	0.8
265.08551	5.1
267.06711	0.9
278.05746	1.8
292.07275	1.3
293.08078	4.7
297.11157	1.8
307.09604	4.3
310.08328	0.8
311.09460	4.9
325.07196	1.1
325.10648	8.1
329.10388	0.7
343.11740	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	343.1172
Annotation	UWM6
Peak:m/z	Relative Intensity
53.03938	1.8
55.01855	3.7
55.05499	3.1
57.03421	2.2
65.03918	1.6
67.05501	4.6
69.03419	9.7
69.07049	3.0
69.55434	9.2
69.55852	1.9
70.06583	21.1
71.04974	3.2
72.08139	3.7
75.97845	1.3
77.12487	1.2
79.05479	5.8
81.03403	5.6
81.07036	13.7
83.08582	2.5
84.04472	4.3
84.08136	7.4
85.02897	6.3
85.06567	2.1
86.09684	8.7
91.05465	12.0
93.07042	10.1
94.04211	1.5
95.04952	4.9
95.08585	3.7
97.02870	2.9
97.06528	3.4
99.04443	5.6
99.08069	2.4
103.05431	3.6
103.71509	1.5
105.03374	2.9
105.06991	7.4
107.04942	4.0
107.08572	14.5
109.02850	4.5
109.06506	6.5
109.10136	5.1
111.04394	3.1
114.03786	1.6
115.05422	9.1
116.01663	2.8
117.06989	3.0
119.04908	5.5
119.08562	2.9
120.08074	1.4
121.06497	5.4
121.10118	4.9
122.03647	4.9
123.04399	2.2
123.08079	3.0
125.05975	2.7
127.03899	5.0
128.06232	1.7
129.10220	2.8
131.04915	3.2
133.06480	2.5
133.10146	2.8
135.04390	4.6
135.08009	1.8
135.11665	5.8
136.07620	1.4
137.05948	46.5
139.11139	1.3
141.03300	2.4
141.10220	1.6
142.03212	4.1
143.04901	5.9
143.08565	1.9
145.04985	2.8
145.06477	8.8
145.10121	6.1
147.04393	5.8
147.08011	2.1
149.05963	6.5
149.09583	2.2
150.06718	4.3
151.03900	5.9
151.07524	2.3
153.05446	4.1
153.06958	1.9
158.03632	3.5
159.04407	5.6
160.05191	6.0
161.05960	8.8
161.09564	2.4
162.02191	3.7
163.03809	1.3
163.07518	1.7
163.11156	12.2
163.12315	2.5
165.06993	4.4
170.02762	1.8
171.08073	1.2
173.05949	9.9
174.06665	2.1
175.03929	4.4
175.07527	13.1
176.06161	2.5
177.05525	3.1
177.06955	10.7
178.07753	2.1
179.08527	2.8
181.06485	3.1
181.08597	1.6
181.12172	12.5
186.03134	9.9
187.03841	4.9
187.07538	1.6
189.05516	2.5
189.09081	16.6
191.06990	2.2
193.06497	1.7
193.08595	3.0
194.07227	12.9
195.07887	2.2
201.05417	28.9
203.06987	2.2
204.05722	3.5
205.04559	2.3
205.06462	39.0
206.07162	2.8
207.08031	4.0
208.05142	1.3
211.07520	3.8
213.08916	1.7
219.06503	5.4
219.08257	2.5
221.05942	10.4
221.09732	2.2
221.11693	9.9
222.06717	22.7
223.07439	5.5
225.05415	1.4
227.06987	2.9
232.05322	1.6
233.03946	1.2
233.05933	34.3
234.06618	9.1
235.07454	3.1
236.08176	1.5
237.09065	28.8
238.09381	1.7
239.06931	5.3
240.07880	1.8
247.07500	4.1
249.05463	10.7
249.07996	1.5
249.09024	1.7
250.06215	30.5
251.06963	10.7
253.08501	1.7
254.09590	1.4
261.05487	5.6
262.06232	2.1
263.06982	2.3
264.07880	8.6
265.08557	65.2
265.11417	3.4
266.09146	7.0
267.06497	5.5
267.09659	1.4
268.07172	3.8
269.08063	1.8
275.06879	1.9
277.04962	3.9
278.05692	14.2
279.06528	4.1
279.10129	5.6
282.08832	4.5
283.09564	8.3
292.03928	1.7
292.07251	26.8
293.08011	52.7
294.08505	3.2
295.05972	3.7
297.08026	2.6
297.11179	21.9
299.12683	1.8
301.10605	1.8
307.09589	59.7
308.10001	4.1
310.08389	9.6
311.09039	4.1
325.10660	100.0
326.10904	4.8
343.11761	10.8
343.16452	2.3
343.17078	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	343.1173
Annotation	UWM6
Peak:m/z	Relative Intensity
55.01854	3.7
55.05491	1.9
57.02192	1.1
57.03434	1.6
65.03923	2.2
66.99187	1.3
67.05492	4.4
69.03400	2.9
69.07049	3.8
69.36411	14.9
70.06590	9.5
71.04979	2.0
72.08138	2.5
79.05482	3.3
79.39391	1.2
81.03401	2.6
81.07048	9.9
83.04970	2.0
83.08620	1.4
84.04495	2.8
84.08125	5.6
85.02879	5.3
86.09686	5.6
90.24564	1.3
91.05484	12.4
93.07014	4.2
94.04174	2.0
94.06561	1.6
95.04942	4.3
95.08580	4.7
95.95820	1.4
97.02881	1.7
97.06517	2.8
98.21511	3.0
99.08092	2.2
103.05434	2.6
105.07003	3.7
107.04928	3.8
107.08583	3.9
109.02910	1.4
109.10149	3.7
111.04430	2.6
115.05444	8.9
116.01659	3.5
117.03339	1.4
117.06989	1.6
119.04931	4.4
119.08552	1.9
120.08110	2.0
121.06498	3.6
121.10108	4.5
122.03625	5.2
122.06024	1.7
123.11636	1.8
125.05968	1.9
127.03929	2.1
129.10190	2.3
130.04184	1.9
131.04913	3.8
132.05710	1.7
133.10138	2.3
134.03650	1.5
135.04381	3.0
135.07996	1.4
135.11662	3.2
137.05962	52.1
141.03288	1.7
142.03181	4.8
143.04895	7.1
145.06467	5.4
145.10162	1.7
147.04364	4.3
149.05998	7.1
149.85435	1.2
150.06752	3.8
151.03886	4.2
153.05476	1.8
158.03596	5.2
159.04402	5.8
160.05176	7.4
161.05949	2.7
162.02197	4.4
163.11130	4.5
165.06993	4.1
166.07759	2.1
167.08498	1.7
170.02713	3.7
173.05988	11.8
175.03932	4.1
175.07503	7.5
176.06213	3.9
177.05511	2.2
177.06918	10.1
178.07550	1.9
179.08577	1.7
181.06444	2.9
181.12201	1.9
186.03079	11.0
187.03886	3.3
189.05290	1.4
189.06931	2.9
190.04944	3.9
191.08554	1.8
193.06543	3.3
194.07242	13.5
199.07510	1.4
201.05418	40.2
201.07138	2.6
203.07025	3.0
204.05681	1.7
205.06470	35.5
206.07143	4.2
207.08153	3.0
211.07484	4.0
217.06430	1.6
219.06477	4.4
219.08250	2.9
221.05928	10.8
222.06738	26.6
223.07428	4.6
226.06082	2.0
227.07042	3.5
233.05934	31.2
234.06729	8.4
235.07295	2.9
236.08292	2.5
237.09073	31.5
239.06993	7.3
247.07513	5.9
249.05516	12.1
250.06242	29.2
251.06892	8.2
261.05423	5.1
263.06973	1.8
264.07794	12.0
265.08572	66.7
266.09122	6.3
267.06500	9.4
275.07098	2.2
277.05011	4.2
278.05734	16.0
279.06442	4.3
279.10159	6.1
281.07944	2.6
282.08920	8.4
283.09680	5.6
292.07297	22.4
293.08026	52.9
294.08640	4.8
295.06009	4.1
297.11221	19.5
299.12738	2.5
307.09613	67.3
308.10001	3.2
310.08316	11.0
325.10669	100.0
326.11032	4.2
343.07950	1.9
343.11752	26.7
343.17212	5.2
344.12326	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.2997
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58985	0.4
53.41288	0.3
55.05502	4.1
56.05054	0.6
56.89074	0.3
57.07064	2.3
57.78896	0.4
57.85860	0.4
58.49146	0.3
59.74881	0.4
67.05488	1.6
68.05016	1.5
69.03417	3.2
69.07063	5.3
70.06582	11.0
70.95862	0.7
71.04976	0.4
71.08617	1.4
72.08140	0.8
79.05434	0.5
80.37978	0.4
81.07057	1.1
83.08616	3.8
84.04491	3.8
84.08133	0.7
85.10179	0.4
86.06055	10.1
86.09693	1.5
87.04456	14.7
93.07027	0.4
95.04967	0.4
95.08603	1.3
96.04485	0.8
97.10165	1.8
98.06041	60.5
99.06371	0.7
102.05518	0.7
104.41400	0.4
105.07008	0.8
107.08584	0.6
112.07620	1.0
114.05510	2.4
123.07943	0.4
130.04942	0.7
142.04994	1.0
145.10193	0.4
179.14423	0.5
196.20360	0.4
203.07013	0.6
204.78070	0.4
210.22261	0.4
212.23727	8.1
252.26833	4.6
278.99353	0.5
280.26306	7.7
280.29279	0.6
298.27365	100.0
299.27618	4.6
302.01160	0.9
337.09616	1.0
342.26440	3.3
342.29984	36.4
343.30347	2.2
355.10577	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.3361
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	1.9
57.03411	0.3
57.07069	16.0
58.06599	0.5
59.17831	0.2
60.08171	1.0
62.06094	1.0
65.02438	0.2
67.05492	2.6
68.65565	0.2
69.07060	2.6
71.08624	8.8
71.63390	0.4
72.08142	0.5
73.02905	2.1
77.67448	0.2
79.28957	0.2
81.07040	3.0
83.08606	2.7
85.06558	0.2
85.09698	0.3
85.10172	4.2
86.09674	0.5
87.04436	0.5
93.07044	0.5
95.08050	0.3
95.08600	4.1
97.10164	1.7
107.08591	0.3
109.10135	1.3
111.11709	0.3
119.08536	0.2
121.10134	0.3
123.11713	0.4
135.11708	0.3
149.13286	0.3
156.17456	0.6
172.16940	0.3
174.18549	2.2
188.92429	2.0
192.15540	0.2
211.94014	0.3
212.23694	0.4
214.94019	0.7
226.94028	0.3
230.24733	1.9
244.95039	1.7
283.26279	100.0
284.26584	3.5
296.33002	0.2
300.97714	0.8
324.36224	0.5
342.33578	56.8
342.37317	43.0
343.33975	2.2
343.37717	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.2631
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96348	3.2
53.03905	3.7
53.46566	3.5
53.71541	2.9
55.01859	6.3
55.05491	36.2
57.03422	10.2
57.07058	8.0
60.08138	8.0
67.05489	68.3
69.03406	4.9
69.07056	59.8
70.06571	3.6
70.07401	3.3
71.04990	6.0
79.05471	43.6
79.29576	3.4
81.03393	7.7
81.07043	87.9
83.04956	9.4
83.08595	23.9
84.83466	3.5
85.06507	6.9
91.05462	41.9
91.16579	3.2
93.07030	58.6
95.04958	22.4
95.08585	54.0
97.06504	17.7
97.10156	10.0
98.09701	3.8
99.08072	4.5
105.07012	34.0
107.04951	6.8
107.08588	27.8
109.06535	9.6
109.10142	23.8
117.06979	10.8
119.08565	44.3
121.06474	4.9
121.10118	27.8
122.10407	3.7
123.08059	11.4
123.11660	6.2
125.09588	8.1
129.07008	5.8
131.08588	19.2
133.10118	29.3
134.11766	3.4
135.08018	6.4
135.11671	29.5
137.09584	12.3
142.07608	3.5
143.08507	5.3
145.10083	22.1
147.08037	3.6
147.11673	29.6
149.09578	6.0
149.13206	10.4
150.49820	3.4
151.11206	4.9
157.10124	6.4
159.11627	19.9
161.13228	11.9
163.11140	13.1
165.12711	5.8
171.11682	5.7
173.11761	7.0
173.13235	11.9
177.12671	8.9
181.12189	22.5
183.11609	3.4
185.13197	6.8
193.12135	5.4
195.13803	12.0
197.13136	3.7
207.13779	6.2
213.14781	8.1
216.29233	3.5
229.22150	4.2
235.16948	6.1
257.18988	7.9
275.19992	53.2
289.21579	8.7
298.27527	5.2
307.22684	13.3
342.33694	100.0
342.37735	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	342.2381
Annotation	Diprotin A
Peak:m/z	Relative Intensity
55.05498	2.3
56.05016	1.4
57.03393	0.7
57.07064	1.0
67.05492	4.9
67.33208	0.6
68.05008	0.7
69.03431	1.3
69.07058	4.0
70.06570	3.2
70.07404	0.8
71.04980	0.8
71.57166	0.5
71.57578	0.8
72.08118	0.6
79.05475	2.2
79.26189	0.5
81.03411	1.1
81.04508	1.0
81.07045	5.0
82.05290	0.7
82.07392	0.8
83.04974	1.1
83.06086	10.3
83.08598	1.4
84.08126	1.2
85.02879	2.2
85.06505	0.9
86.09691	3.3
91.05449	1.8
93.04510	7.0
93.07027	2.5
94.07396	0.6
95.04957	0.8
95.06071	13.0
95.08582	5.1
97.02902	0.9
97.06525	0.5
100.11253	0.7
105.06992	1.6
107.06085	0.7
107.08568	1.9
108.08900	0.8
109.06529	0.5
109.10143	2.1
110.07144	99.6
111.05524	1.9
111.07478	1.5
111.08115	0.7
112.08698	3.4
116.98464	0.6
119.08516	1.2
120.08048	0.6
121.10123	1.9
122.10445	0.7
123.08020	0.6
123.11687	0.9
124.12009	0.8
127.03897	1.9
129.10219	0.6
135.11646	0.8
137.05937	1.3
137.09523	0.8
145.04942	1.1
148.11980	0.6
151.11159	0.6
156.07666	14.3
159.94728	0.7
163.11136	1.1
181.12140	0.6
182.12575	0.6
189.00560	1.1
203.02219	0.7
214.63799	0.5
233.20068	5.1
233.39766	0.5
260.21204	1.8
278.22217	10.0
280.23874	1.2
296.23264	12.5
297.23959	0.8
298.24655	1.1
301.05649	1.0
306.24899	0.7
324.22726	10.8
342.23813	100.0
343.15497	0.7
343.24155	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	342.2382
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76797	0.3
53.03982	0.4
55.05500	1.5
56.05018	0.7
57.03412	0.5
57.07068	0.6
59.04996	1.8
61.02904	2.4
63.31213	0.4
67.05499	3.6
68.05020	1.2
69.07057	5.2
70.06580	0.7
70.72524	1.1
70.72902	0.6
71.04978	3.1
72.08147	0.5
72.93789	0.3
79.05466	1.0
79.96127	0.4
81.04533	1.0
81.07040	6.6
82.05309	1.3
83.04982	0.7
83.05612	0.7
83.06089	10.1
83.08613	0.5
85.02849	0.4
85.06497	0.6
86.09711	0.6
90.94821	0.6
91.05451	0.6
93.04515	6.5
93.07013	1.4
95.06079	13.8
95.08587	7.2
96.08950	0.3
97.02852	0.4
97.03988	0.4
99.08088	0.5
107.06049	4.2
107.08575	0.5
109.07644	0.6
109.10085	0.5
110.07147	100.0
111.05535	1.7
111.07472	1.3
112.03829	0.4
112.08686	2.7
116.10728	0.4
119.06010	1.0
121.07621	2.5
133.10161	0.5
139.03967	0.3
139.04944	0.5
142.97897	0.9
153.00137	0.3
156.06352	0.9
156.07663	16.2
166.06079	1.5
168.99507	0.9
171.01079	0.4
172.95328	0.8
183.00893	0.6
187.00603	0.8
190.96318	0.7
201.02090	0.6
210.81467	0.4
213.02025	0.8
219.18530	47.1
220.18971	2.3
223.04051	1.1
238.46301	0.4
241.05194	8.7
246.19626	5.2
252.31146	0.4
264.20679	8.2
265.18896	0.6
266.22296	0.8
275.17490	1.7
283.06232	5.1
292.20148	6.2
296.23303	4.8
297.21332	0.6
310.21191	17.3
311.21329	0.7
324.22699	1.3
342.23819	99.7
343.24185	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	342.2268
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01846	0.6
55.05503	6.1
56.05018	0.7
57.03405	0.9
57.07042	0.9
58.06587	0.4
59.04985	0.9
67.05477	2.0
69.03404	1.0
69.07063	2.5
70.06589	2.5
71.08620	3.8
71.61815	0.4
72.08125	1.6
79.05485	2.1
80.04972	0.6
81.03407	0.8
81.07030	2.8
83.04968	6.5
83.06059	0.7
83.08588	1.1
84.04477	0.6
84.08118	2.0
85.02892	0.9
85.06527	0.9
86.06051	14.4
86.06585	0.7
86.09686	1.5
87.04473	0.6
91.05451	1.8
93.04517	0.6
93.07002	2.4
95.04937	1.3
95.06065	1.0
95.08573	2.4
96.08121	5.2
97.06486	0.9
97.10148	1.5
98.06036	1.0
98.09679	8.7
99.08065	1.2
101.05994	3.7
105.07005	1.5
107.08567	2.5
108.08093	1.2
109.06514	0.8
109.10120	1.4
110.07144	6.9
110.09647	0.5
111.04438	5.4
112.07589	0.6
113.05941	0.6
114.09126	1.2
116.10711	21.9
119.08563	2.1
120.08056	0.9
121.06441	0.7
121.08839	1.0
121.10122	1.0
122.09646	1.3
123.08027	0.7
123.11658	0.4
124.07568	1.1
125.09609	1.0
126.09054	0.4
127.03883	0.5
129.05467	2.3
133.10080	0.9
134.09615	0.9
135.08032	0.7
136.11160	0.5
137.09608	2.0
139.07520	0.9
140.14343	0.5
142.08606	11.7
142.12122	0.7
143.10648	8.4
145.02859	1.0
145.10057	0.9
148.07487	0.7
148.11171	0.6
149.05972	0.6
149.07375	1.1
150.07716	0.7
154.08591	0.7
155.06993	1.7
156.07611	0.8
156.79776	0.5
159.08058	0.6
162.12727	1.1
163.11121	0.7
164.10669	3.8
165.09105	0.5
166.08675	0.6
173.08064	1.3
175.07475	1.0
176.07985	1.0
177.05423	1.0
180.13821	1.9
182.15399	5.1
184.13292	1.4
189.11182	1.1
190.12256	5.5
193.08606	1.1
193.12253	0.6
194.08948	2.2
196.16850	0.6
198.14790	2.7
208.13281	6.9
214.17987	6.0
215.18251	0.5
226.14339	31.6
227.14691	1.0
244.15402	100.0
245.15729	4.6
246.14946	0.8
250.59328	0.5
251.41299	0.4
282.61838	0.4
289.17905	1.1
296.23209	1.2
301.06711	1.4
307.18854	0.7
310.16302	0.7
324.21683	2.1
342.22888	13.9
343.22968	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	342.227
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.6
55.01856	0.6
55.05497	3.7
56.05013	0.9
58.62059	0.4
60.04526	0.6
67.05480	2.1
69.03417	0.5
69.07050	1.1
70.06568	1.5
71.08620	2.8
72.08141	1.1
79.05457	1.2
81.07025	1.3
83.04968	4.3
83.80848	0.4
84.04469	0.5
84.08130	1.2
85.02892	1.0
86.06058	12.7
86.09673	0.6
91.05474	1.1
93.07039	1.1
95.04923	1.2
95.08575	1.4
96.08126	4.7
97.06519	0.7
98.06059	0.8
98.09685	7.4
99.08074	1.5
101.05996	3.4
105.07021	0.8
107.08567	1.5
108.08094	0.6
109.06477	0.5
109.10132	0.7
110.07138	1.9
111.04439	4.2
111.05545	1.4
112.07545	0.5
114.09152	0.4
116.10719	18.7
117.11200	0.4
119.08559	2.1
121.08862	0.9
121.10168	0.5
122.09635	0.8
123.07990	0.5
124.07587	1.0
125.07088	0.4
127.03964	0.5
129.05446	1.3
133.10138	0.7
134.09624	0.6
135.10428	0.7
136.11215	0.7
137.09612	1.0
142.08623	12.0
143.10661	5.5
147.08023	0.4
148.11209	0.6
149.02299	0.5
154.08528	0.6
155.07019	1.7
161.05937	0.4
162.12790	0.8
164.10709	5.1
173.08115	0.6
180.13849	0.8
182.15373	5.5
184.13303	0.6
190.12225	3.0
198.14854	2.1
208.13303	6.6
214.18002	4.7
226.14354	30.1
227.14740	1.2
234.64714	0.4
244.15421	100.0
245.15726	3.3
295.26938	0.5
324.21707	1.3
325.24942	1.0
337.86636	0.5
342.22739	9.0
342.26489	0.8
343.22177	0.7
343.26059	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.227
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	6.1
56.96555	1.0
62.06081	2.0
67.05493	3.6
69.03391	1.2
69.07039	1.2
70.06570	3.3
71.04955	0.9
71.08619	7.4
71.63100	1.5
72.08141	2.3
79.05453	3.0
81.03386	1.2
81.04514	2.2
81.07022	4.1
83.04965	4.8
83.08607	1.1
84.08118	3.1
85.02898	2.0
86.06058	13.3
86.09674	1.7
91.05465	3.4
93.07022	3.2
95.04933	2.2
95.06075	1.7
95.08566	2.7
96.08088	4.5
97.06495	1.1
98.06023	1.4
98.09683	10.0
99.08063	2.9
101.06006	4.7
105.07008	2.4
107.08558	2.4
108.08136	1.2
109.06503	1.2
109.10106	2.7
110.07134	4.6
111.04417	5.5
116.10714	22.6
119.08545	6.4
121.10137	1.5
124.07571	1.1
125.07045	1.3
129.05453	1.6
129.06992	1.0
131.08484	1.1
132.05330	1.1
137.05876	1.1
137.09599	2.2
142.08615	10.0
142.12206	2.5
143.08086	1.1
143.10631	6.9
155.06976	1.9
157.01317	1.0
160.13342	1.6
164.10689	4.0
173.08029	2.1
180.13876	1.2
182.15401	4.8
184.13295	1.2
190.12170	3.3
196.16866	1.2
198.14842	2.9
208.13327	7.5
214.18008	12.1
226.14343	28.3
242.00798	0.8
244.15417	100.0
245.15767	4.1
289.18002	2.5
324.21860	3.8
342.13934	1.2
342.22739	15.4
343.26227	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	342.2117
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.5
55.01858	0.9
55.05501	6.6
57.03422	1.1
57.07068	10.2
59.04986	0.6
61.02906	1.7
64.26343	0.4
69.03417	2.6
69.64613	1.1
69.65031	2.7
70.06580	18.3
72.08142	1.0
73.02879	1.0
81.03389	1.7
81.07005	0.5
83.08580	2.3
84.08125	2.1
85.02413	0.9
85.02892	12.1
86.09688	3.5
87.04453	0.7
89.06018	27.9
93.07032	0.5
97.02888	3.9
101.09641	12.9
107.07049	30.1
107.08558	1.1
109.02854	0.8
110.07084	0.5
113.03394	0.5
120.08057	0.6
127.03902	2.3
129.10237	1.0
134.10420	0.5
134.31157	0.4
142.12238	0.8
142.39232	0.5
145.04918	2.1
145.12202	0.7
149.07439	1.7
150.07750	0.5
151.07043	0.7
163.13269	100.0
164.13620	1.9
165.05510	1.0
166.05771	1.3
183.14903	2.7
193.04945	0.9
194.05247	0.8
200.21199	0.6
203.07030	1.3
211.14400	3.0
229.15463	1.9
236.08258	0.8
240.25279	0.6
245.18594	0.8
248.08350	0.7
264.07666	1.1
279.10147	1.7
311.12729	1.9
342.12265	1.0
342.17010	2.3
342.23770	1.9
343.12894	0.6
346.09845	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.2681
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	4.7
55.01854	5.8
55.05503	24.0
56.05829	2.4
57.03439	4.0
57.07058	13.8
59.04996	3.9
65.03931	2.1
67.05498	27.5
69.03415	6.8
69.07059	86.8
70.06578	11.5
71.04986	12.0
71.08622	5.8
71.62246	3.7
72.08141	6.8
73.02888	2.2
79.05482	19.9
81.03405	5.5
81.07047	100.0
82.06567	9.2
82.07362	1.9
83.04974	12.9
83.06905	3.0
83.08588	11.5
84.04498	3.3
84.08149	10.6
85.02885	5.8
85.06533	16.9
86.06046	4.8
86.09702	14.4
91.05431	15.8
93.07029	64.3
95.04973	13.8
95.08591	62.8
97.02879	3.9
97.06512	16.6
97.10149	2.8
98.09671	4.4
99.04456	3.6
99.08080	5.7
100.07611	2.3
100.11239	7.5
101.06028	3.5
103.05435	4.9
105.07011	28.3
107.04936	6.3
107.08582	64.9
109.02882	2.6
109.06517	14.2
109.09442	4.2
109.10145	69.0
110.06010	5.8
111.04395	3.5
111.06375	2.3
111.08070	30.2
111.11700	11.9
114.09156	3.7
115.05438	3.6
116.07050	2.4
117.07038	4.8
119.04952	2.1
119.08566	22.7
120.08057	2.6
121.06499	4.1
121.10133	39.0
122.03659	2.8
122.06033	2.2
122.10513	2.3
123.04451	2.2
123.08025	6.4
123.11686	50.3
125.09607	19.1
125.13269	3.3
126.09129	3.0
127.03870	2.8
127.11213	2.4
129.06996	2.5
129.10220	3.4
131.04921	9.4
131.08557	5.7
133.06555	2.4
133.10110	32.3
135.04408	2.6
135.08044	4.7
135.11665	32.0
137.05960	38.7
137.09636	7.1
137.13210	11.1
139.11156	24.9
142.08594	6.4
145.10136	9.6
147.04373	7.0
147.11652	17.4
149.05978	4.5
149.09647	11.7
149.13222	10.4
150.06740	5.5
151.07617	2.2
151.11165	56.6
153.12732	39.5
154.08609	29.3
155.08948	21.1
155.10683	5.3
157.10036	4.9
159.04431	2.5
159.11662	4.9
161.05960	9.2
161.13240	6.5
162.06702	10.0
163.07536	3.0
163.11162	8.3
163.14812	4.1
165.12738	21.8
167.06953	3.3
167.10661	5.0
169.12201	16.9
170.12547	3.5
171.11638	2.6
171.13812	4.6
172.09676	20.8
173.10028	16.9
173.13220	5.0
175.07529	9.4
175.14777	3.2
177.05455	3.3
177.09094	2.2
177.12732	3.4
179.03336	7.1
179.07027	2.7
181.12210	67.4
182.15363	4.8
183.13741	8.1
187.03864	8.7
187.07524	9.1
187.14813	4.3
189.09090	2.8
189.16368	4.5
191.08498	3.3
195.06506	2.9
199.07442	2.6
201.16255	3.8
203.08525	3.2
207.17377	3.1
210.14883	3.6
212.16382	6.2
213.16678	16.1
217.08618	2.7
217.19476	4.2
219.08090	5.6
219.17513	2.0
227.17625	2.4
235.20454	2.4
241.19675	2.7
243.21097	2.9
247.07722	2.4
251.10721	4.7
263.10593	4.7
269.22699	4.9
270.08734	3.2
271.09601	2.7
275.23660	2.7
279.10153	5.8
282.08530	2.7
287.23624	17.5
291.06656	3.4
291.10046	6.4
292.10742	2.8
293.24896	2.2
305.24686	56.8
306.25095	3.2
311.12756	6.7
323.09140	3.3
323.12659	7.3
323.20303	6.3
323.25769	14.4
341.10275	8.7
341.13757	11.5
341.21475	31.3
341.26410	8.8
342.22266	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	341.2682
Annotation	Officinoic acid A
Peak:m/z	Relative Intensity
53.03931	2.4
55.01853	4.3
55.05501	17.5
57.03421	3.7
57.07061	8.8
59.04998	2.9
67.05164	2.1
67.05492	30.4
69.03414	7.5
69.07057	67.7
69.39152	1.5
70.02943	1.6
70.06567	9.1
71.04979	9.4
71.08613	5.9
71.62062	2.3
72.08138	2.9
74.80482	1.4
79.05470	16.6
81.03400	2.2
81.07044	100.0
82.07368	2.0
83.04962	7.2
83.08598	11.4
84.04498	3.7
84.08114	4.4
85.02856	3.5
85.06517	12.7
86.09682	6.0
87.04417	1.5
89.06020	1.5
91.05435	14.3
93.07030	49.4
95.04951	12.6
95.08591	52.6
97.02853	3.2
97.06525	10.2
97.10152	4.1
99.04428	2.4
99.08073	4.7
100.07626	1.9
100.11211	5.8
101.05997	3.8
103.05450	4.7
105.07018	24.1
107.04932	3.8
107.08575	47.6
109.06500	13.3
109.10137	64.7
110.07123	3.3
111.08060	24.9
111.11719	12.5
113.06020	1.7
115.05417	2.6
117.06985	4.1
119.04915	1.5
119.08559	16.9
120.08057	1.8
121.06512	4.0
121.10129	30.1
122.03630	5.1
123.08036	5.5
123.11690	50.8
125.09623	13.7
125.13254	2.5
127.03861	2.1
127.11238	2.2
129.06976	3.2
129.10190	2.4
130.06502	27.0
131.04889	11.6
131.08549	6.6
133.02705	1.8
133.06454	4.2
133.10107	21.3
135.08040	4.0
135.11681	22.0
137.05954	57.8
137.09584	6.8
137.13220	10.7
138.06305	3.4
139.11159	19.1
139.87556	1.5
141.12753	2.4
142.12238	3.6
143.12589	3.2
145.10052	7.9
146.89478	1.6
147.04379	4.1
147.08051	2.3
147.11653	17.0
149.05939	2.7
149.09564	3.3
149.13242	7.7
151.07512	2.1
151.11165	52.9
153.12723	36.8
155.10622	4.9
157.10123	1.9
159.04362	2.5
159.11664	6.0
161.05956	9.1
161.09628	2.4
161.13248	6.3
162.06702	3.7
163.07497	3.4
163.11188	5.1
163.14799	3.0
165.12714	15.2
166.04965	5.2
167.10664	2.4
167.14191	1.8
169.12193	12.2
170.11678	3.3
171.11868	2.9
171.13652	2.0
173.13243	5.6
175.07555	15.1
175.11055	2.1
175.14781	2.9
177.05449	4.3
177.12680	2.6
177.16315	1.7
179.03395	2.1
179.10533	2.0
179.14211	2.3
181.04909	1.8
181.12204	41.8
182.15160	1.6
183.12048	1.4
183.13719	7.5
185.13269	2.0
187.03902	5.5
187.07472	8.4
187.14781	3.3
189.09042	2.0
190.07825	1.6
191.06979	2.4
191.08496	2.7
195.06483	2.8
199.07536	4.2
199.14769	2.8
203.08556	3.4
207.07977	2.8
207.17456	2.6
211.07195	1.9
212.05571	3.6
213.16399	2.4
217.08493	3.3
217.19514	2.9
219.07988	3.8
227.07092	1.8
231.08046	4.4
237.09076	2.0
248.08290	3.7
251.10712	6.0
263.10541	3.5
269.22592	3.7
270.08881	2.5
271.09561	2.7
275.23734	2.2
276.07788	2.3
279.10126	6.1
287.23669	11.9
291.10071	5.4
293.24643	3.6
305.21240	2.8
305.24707	44.6
306.24924	2.0
311.12601	7.6
323.09167	3.3
323.12625	6.3
323.25830	11.8
341.09952	6.2
341.13855	9.4
341.22226	2.0
341.26492	9.2
342.23273	2.5
342.27255	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.2682
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.7
55.01860	5.1
55.05504	27.0
57.07064	17.1
59.04987	3.3
65.03949	2.8
66.33714	2.0
67.05499	29.4
69.03415	8.2
69.07063	100.0
70.06573	9.5
70.58944	7.8
71.04978	10.0
71.08617	9.7
73.02885	2.5
79.05474	21.9
80.44490	2.1
81.03401	3.2
81.06565	4.9
81.07046	98.0
82.06573	3.7
82.07389	3.4
83.04965	8.0
83.06104	7.9
83.08606	20.2
83.25742	2.0
84.04465	2.5
84.08134	6.4
85.02898	3.0
85.06522	11.1
85.76308	2.5
86.09695	6.6
86.89882	2.3
88.96408	2.2
91.05434	15.6
93.04491	5.8
93.07031	63.3
95.04966	15.5
95.06059	10.7
95.08594	66.3
97.06508	14.2
97.10146	5.1
99.08096	3.3
100.07610	3.6
100.11244	28.7
101.06005	3.2
101.11549	3.2
105.07014	32.6
106.34876	2.0
107.04935	2.6
107.08582	63.5
107.09290	4.6
109.06569	10.5
109.09440	4.4
109.10152	66.3
109.10899	3.4
110.07149	95.6
111.04427	7.9
111.08069	24.2
111.11719	18.3
112.07573	2.4
112.08774	3.1
116.65922	2.1
117.06996	2.2
119.08558	19.8
121.06523	5.2
121.10121	33.8
123.08065	6.5
123.11692	46.7
125.09608	19.4
127.03975	3.6
128.07072	4.5
129.07013	2.8
129.10231	2.3
131.08577	5.3
133.10101	30.6
135.08003	3.6
135.11678	40.1
137.05971	10.5
137.09596	9.7
137.13223	11.0
139.11153	26.8
141.11502	3.2
145.10129	12.2
147.08015	2.7
147.11678	19.4
149.09627	3.8
149.13237	10.3
151.11159	67.9
153.12735	44.2
155.08600	2.1
155.10663	4.6
156.07634	11.7
156.89484	2.2
157.10101	3.6
159.11681	8.1
161.05949	3.1
161.13271	7.7
163.11131	7.6
163.14819	2.8
165.12740	14.8
167.14301	3.4
169.12215	12.0
171.11716	2.7
173.13254	6.5
175.14853	3.7
177.12727	2.6
179.03464	5.3
181.12216	75.6
182.15382	16.9
183.13791	9.6
183.15622	3.2
187.07590	3.5
187.14821	4.3
201.16446	3.5
202.16913	2.3
205.15802	3.0
209.16478	4.4
210.14961	13.8
210.16663	3.3
211.15350	3.7
217.08771	3.6
217.19472	6.9
218.66301	4.2
227.17503	5.1
233.20090	8.4
241.05080	2.1
247.07997	2.4
250.64885	2.4
268.21490	7.6
268.71762	3.0
269.22702	5.5
275.23688	2.5
277.22876	5.5
277.72873	3.3
278.22290	7.9
282.19159	2.7
287.23785	12.7
296.23425	11.4
305.24716	51.3
323.25793	9.2
324.22781	9.6
326.28040	7.4
327.28610	2.4
340.75867	3.5
341.13916	5.4
341.21213	4.5
341.26682	4.6
342.14615	3.4
342.23828	97.7
343.30801	4.3
344.31012	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.2216
Annotation	Ibogaline
Peak:m/z	Relative Intensity
50.93681	0.6
57.07052	1.8
57.20741	0.7
58.83791	0.6
59.85994	0.8
68.04981	1.0
70.18669	2.4
70.19089	1.5
79.05465	2.9
79.60240	0.6
80.04998	0.8
81.05779	0.8
85.10167	3.9
94.06546	11.0
95.07330	1.1
96.08111	21.8
98.21364	0.7
106.06511	0.9
113.09615	1.9
118.06551	0.8
120.08098	1.9
121.07613	6.2
122.06020	5.6
124.47780	0.7
128.06192	0.7
130.06506	1.8
130.90915	0.6
131.07312	0.7
138.09088	6.1
138.79732	0.8
141.72353	0.7
143.07230	0.9
143.08469	0.9
144.07988	0.7
145.07475	0.9
146.09665	1.0
153.06921	0.7
154.06473	2.3
158.09583	0.9
159.09177	1.3
161.93427	0.8
162.09045	0.8
168.08031	3.2
169.08865	0.9
170.08313	0.8
170.09618	7.9
171.09138	6.7
172.07515	1.4
172.09885	1.6
185.10707	36.9
186.09090	2.8
186.11394	4.0
187.12277	5.3
211.12169	0.8
213.10178	2.3
222.34317	0.7
227.11751	5.5
228.12518	1.6
229.13335	4.0
271.21600	0.8
272.20029	1.2
299.21127	31.7
300.19257	4.0
312.60852	0.7
341.22168	100.0
342.22531	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	341.1377
Annotation	Letestuianin A
Peak:m/z	Relative Intensity
55.01861	1.6
69.03407	1.4
70.06576	5.7
71.34459	2.3
72.08128	2.8
73.04731	1.1
79.05460	2.2
80.07272	1.2
81.00879	1.0
84.04470	1.3
84.08109	4.1
85.02871	3.7
86.09676	4.3
91.05438	8.5
94.04147	2.6
103.05444	3.1
105.03292	1.2
105.07006	14.9
107.04913	3.0
109.06516	1.1
110.07101	1.5
115.05419	5.0
117.06994	2.3
119.04892	2.8
119.08564	3.2
120.08096	1.2
122.03619	7.0
128.06142	1.6
129.06931	3.4
129.10176	2.3
131.04890	4.3
133.02792	1.2
133.06453	11.5
137.05949	100.0
145.06438	1.8
146.03601	1.7
147.04373	6.3
147.07994	3.8
149.05922	3.8
151.07521	3.5
157.06450	1.7
160.05188	3.4
161.05957	29.2
162.06671	2.3
163.03850	2.3
172.05147	2.6
174.06650	1.7
175.07507	24.5
177.05478	3.6
177.09143	2.4
179.03444	5.4
179.05479	1.6
179.07018	4.1
187.07501	15.8
189.07384	1.4
189.09096	3.6
190.07689	1.7
191.06966	1.5
191.08469	7.5
195.06480	3.6
202.07709	3.8
203.08470	6.8
205.06416	1.7
207.08011	1.2
217.08534	3.7
218.07251	2.0
219.08002	13.6
220.08705	3.1
231.08029	8.5
232.08826	1.6
236.08163	2.7
237.08952	2.1
247.07552	7.4
248.08173	6.2
249.09152	1.4
251.10640	13.0
259.07663	5.5
259.10037	1.2
260.08127	2.3
263.10635	8.3
264.07663	3.0
265.08591	2.2
271.09625	1.2
276.07803	2.6
277.08505	2.6
279.10144	16.3
280.10849	2.4
281.08112	1.4
291.10068	13.1
292.10794	1.5
293.08087	1.3
297.11224	2.0
301.85599	1.2
308.10300	2.0
309.11252	7.7
311.12683	20.1
323.12711	16.2
341.13782	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	341.1379
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24626	0.7
51.44287	0.7
55.05506	1.3
55.93529	1.2
57.07051	0.7
67.05495	1.4
68.56952	0.7
69.07070	0.9
71.63197	0.9
72.93764	1.1
79.05470	2.7
81.03414	1.0
81.07043	1.9
83.06039	0.7
83.08568	0.9
86.09666	0.9
91.05463	4.8
93.07035	1.6
93.65028	0.6
94.04151	2.2
94.06539	2.5
95.04962	1.4
95.06070	1.8
96.08127	3.8
102.04696	0.6
103.05453	2.2
105.07020	6.4
107.04910	1.4
109.06480	2.7
109.10159	1.0
113.03442	1.0
113.07117	1.6
115.05441	4.6
117.03401	0.8
117.07009	1.6
119.04906	0.7
119.08579	2.9
120.20801	0.6
121.06543	0.9
122.03629	7.7
123.08023	1.2
127.54374	0.6
128.06212	2.5
129.06978	7.3
131.04926	1.9
131.08507	0.8
132.05676	2.5
133.06465	5.2
137.05960	100.0
138.06293	2.0
138.09082	1.1
141.06989	0.9
143.04866	0.7
145.02852	1.5
145.06476	1.6
146.03629	0.8
147.04373	2.4
147.08025	3.0
149.05978	2.4
155.04871	1.0
157.06473	1.7
159.08035	2.6
160.05150	0.9
161.05981	11.8
172.05080	1.4
175.07526	25.7
177.05441	2.4
184.05212	1.1
185.10756	5.4
185.19447	0.7
187.07516	9.5
189.06973	0.9
189.09146	0.9
190.07761	2.9
191.08548	9.6
192.99547	0.9
199.07521	9.1
202.07707	3.3
202.97902	1.2
203.08539	4.8
213.10306	0.8
218.07216	2.7
219.08026	12.4
220.08786	2.7
220.98970	1.1
225.19670	1.3
231.01064	1.3
231.08043	5.4
232.08757	1.8
235.07564	1.3
236.08261	2.2
236.98360	1.0
237.09161	1.0
240.99518	1.5
247.07515	6.2
247.97725	2.6
248.08298	3.0
248.98529	1.3
249.08974	0.9
251.10648	19.0
259.00491	8.3
259.07541	2.9
260.08252	1.5
261.08972	0.8
261.95587	8.0
263.10593	3.0
264.07828	1.6
265.08575	1.3
265.98730	3.5
276.07785	1.8
277.01538	40.7
277.08502	3.0
278.02002	3.0
279.10153	14.1
280.10742	2.3
281.08255	0.7
291.10168	5.8
291.19327	0.9
292.10855	2.8
295.02609	75.4
295.13254	1.4
296.02945	5.3
296.10397	1.0
299.21188	5.2
300.03137	57.6
300.19070	0.9
301.03351	5.2
311.12735	19.0
318.04202	19.1
319.04553	1.4
323.12854	4.1
341.02066	0.7
341.05814	11.9
341.13913	2.7
341.22168	15.2
341.28104	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	341.138
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.6
55.01847	1.2
55.05503	3.7
57.03420	0.9
57.07055	2.2
63.76528	0.7
67.05495	4.4
68.27243	0.6
69.03403	1.6
69.07056	12.6
69.07408	1.3
70.06564	1.9
71.04987	1.2
71.08616	1.7
71.62335	1.0
72.08125	0.8
76.69330	0.6
79.05487	6.7
81.07045	16.7
83.04953	1.1
83.08611	1.9
84.08121	2.0
85.02882	0.7
85.06527	1.7
86.09674	2.7
91.05446	6.4
93.07028	12.2
94.04174	3.2
95.04945	2.7
95.08586	10.4
97.06519	1.7
97.10166	1.1
99.08073	0.9
100.11235	3.0
101.11519	0.6
103.05434	1.8
105.07022	10.9
107.04935	1.9
107.08566	6.4
109.06502	3.6
109.10154	7.5
110.07131	2.2
111.04401	0.8
111.08069	2.7
111.11713	2.1
114.09206	0.7
115.05453	2.5
117.07024	1.7
119.04916	1.0
119.08549	6.1
121.06513	1.3
121.10116	7.3
122.03613	8.2
123.08016	1.9
123.11687	14.3
125.05919	0.7
125.09602	1.9
128.06206	1.7
129.07028	2.0
131.04903	1.3
131.08594	1.3
132.05675	2.6
132.30495	0.6
133.06476	5.4
133.10117	4.3
135.08044	0.9
135.11649	2.9
137.05954	100.0
137.13229	1.4
138.06335	1.9
139.11131	3.4
141.12718	1.6
143.05013	0.7
143.08540	0.7
144.05656	1.1
145.06436	1.3
145.10106	2.0
147.04381	1.9
147.08014	3.4
147.11665	2.6
149.05948	2.0
149.09572	1.6
149.13235	1.5
151.07628	1.0
151.11186	6.3
153.12730	2.5
155.04819	1.2
156.05684	0.8
157.06453	0.6
157.10126	1.0
159.07997	3.2
159.11636	1.4
160.05202	1.7
161.05959	12.3
161.09572	1.3
163.07462	0.9
163.11162	0.6
165.12735	1.6
167.07098	0.8
167.10674	3.1
169.12173	1.1
171.08017	0.9
172.05186	1.6
173.13139	0.9
175.07526	28.8
175.11122	0.8
177.05482	0.8
177.09177	0.9
179.03392	1.9
179.07019	0.9
179.10747	0.7
181.12219	2.4
182.11542	0.8
182.15343	0.8
183.13811	1.6
184.05247	0.7
185.05984	1.3
187.07520	10.4
189.07048	1.5
189.09090	0.9
189.16382	0.7
190.07782	4.0
191.08521	9.1
199.07513	8.8
202.07744	4.1
203.08542	5.6
205.06532	0.9
208.08745	1.4
217.08589	1.0
218.07251	2.6
219.08014	13.9
220.08734	2.5
220.91989	0.6
231.08015	4.7
232.08858	1.4
233.09480	0.7
235.07495	1.6
236.08292	2.8
243.42540	0.7
247.07494	5.3
248.08223	2.9
249.09088	1.5
251.10617	18.3
259.07431	2.9
260.08255	1.5
261.09128	1.4
263.10596	2.6
264.07813	2.0
264.11249	0.7
269.22604	1.2
276.07666	1.4
277.08554	3.5
277.22931	0.6
279.10098	15.0
281.07953	0.8
287.23734	2.1
291.10095	7.2
292.10867	2.6
293.08087	1.4
295.13226	1.0
296.10605	1.0
297.11368	0.6
305.24731	4.4
308.10272	0.8
309.11075	0.9
311.12726	16.9
312.12875	1.0
323.12762	3.3
323.25815	2.6
340.76123	0.9
341.10153	1.2
341.13791	3.4
341.20813	1.6
341.26660	1.7
342.23840	1.9
355.20422	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1379
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	1.2
55.01854	2.3
55.05505	5.0
57.03435	1.1
57.07054	3.6
64.65735	1.0
65.03911	1.1
67.05490	8.8
69.03415	3.9
69.07055	18.8
70.06570	2.5
70.08067	2.1
70.08481	3.0
71.04964	4.5
71.08603	1.8
72.08144	1.8
79.05479	7.3
81.03397	1.6
81.07043	27.0
83.04995	1.7
83.08598	3.2
84.08125	2.1
85.06508	4.9
86.09692	2.0
89.05974	1.3
91.05428	7.1
93.07024	15.6
94.04153	2.7
95.04955	3.7
95.08586	15.5
97.06506	3.2
97.10117	1.5
100.11231	1.6
103.05466	3.0
105.06998	11.2
107.04931	3.1
107.08571	13.8
109.02853	1.2
109.06477	6.2
109.09449	1.2
109.10137	17.3
111.04420	1.0
111.08055	6.6
111.11683	3.3
115.05439	1.8
117.07041	1.5
119.08543	6.1
121.10101	8.4
122.03641	7.0
123.08037	1.5
123.11685	13.0
125.09616	3.0
126.66290	1.0
127.07542	0.9
128.06169	2.2
129.07008	2.6
129.10265	1.1
130.06511	3.7
131.04912	4.3
131.08536	2.0
132.05682	1.9
133.02859	2.2
133.06451	3.1
133.10112	6.9
135.08038	1.4
135.11647	8.5
137.05952	100.0
137.13237	3.4
138.06328	1.8
139.11130	5.1
144.05693	1.3
145.10139	2.3
147.07988	3.2
147.11685	5.3
149.05975	2.0
149.09593	1.4
149.13239	2.2
151.03957	1.2
151.07538	2.1
151.11143	13.7
153.12717	10.0
155.04848	1.3
155.10580	1.1
156.05649	1.0
157.06415	1.5
159.08026	2.4
159.11662	2.3
160.05220	2.4
161.05922	11.0
161.09570	1.0
161.13297	2.0
162.06622	1.3
163.07571	1.7
163.11130	1.7
165.05487	0.9
165.12706	4.1
167.07051	1.5
169.12259	2.6
171.08099	1.4
172.05142	3.0
174.06740	1.9
175.07498	27.6
175.09009	1.7
175.10983	0.8
177.05449	1.2
177.09067	1.1
179.03326	1.7
179.10690	1.1
181.12196	12.3
183.13760	1.6
184.05165	1.3
185.05960	1.5
187.03864	3.5
187.07521	14.4
189.09105	2.4
189.16441	1.3
190.07730	3.4
191.08487	8.5
199.07469	7.4
201.16408	1.1
202.07764	4.1
203.08481	7.0
203.17827	1.6
205.06429	1.4
207.08000	1.5
211.07536	3.3
215.08379	1.0
217.08574	4.7
218.07216	1.4
219.07976	10.2
220.08716	2.5
221.05930	1.0
221.09697	1.1
222.00262	1.0
227.07014	3.7
231.07968	7.5
232.08800	2.1
233.05957	1.6
235.07596	1.2
236.08290	2.8
239.06978	3.0
240.07719	3.0
247.07576	4.6
248.08217	6.8
249.08917	1.1
251.10634	15.7
252.11061	1.0
255.06483	3.2
256.07156	1.8
259.07529	3.5
260.08408	1.6
261.09424	1.5
263.07846	1.0
263.10626	6.5
264.07748	2.3
265.08392	1.8
269.22696	1.3
270.08755	5.9
271.09537	7.8
276.07791	2.9
277.08557	3.5
279.10110	13.3
280.10703	1.7
283.09546	2.2
287.23703	4.4
291.10135	12.0
292.10699	2.7
293.08002	1.6
293.24725	1.3
295.09378	1.4
295.13095	1.2
296.10455	1.3
305.24619	14.0
308.10251	2.6
309.11026	1.2
311.12717	16.1
320.99698	1.0
323.12732	12.3
323.25775	3.7
341.10202	2.3
341.13763	9.0
341.21866	1.3
341.26456	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1376
Annotation	Hydranthomycin
Peak:m/z	Relative Intensity
51.53635	2.1
54.41164	1.9
55.05494	15.9
57.07060	3.5
64.18111	1.9
67.05479	8.8
69.07059	10.9
69.51000	17.6
70.06564	3.9
71.00814	2.2
71.04981	7.6
71.65684	2.1
72.08141	3.4
79.05470	6.6
81.07034	16.0
82.06535	3.0
83.04966	3.5
83.08598	6.3
84.08128	4.6
85.06512	3.0
86.09659	4.5
89.94028	3.6
91.05457	7.5
93.07030	11.2
95.04922	4.0
95.06062	3.0
95.08582	12.7
97.06532	3.5
98.20712	2.5
100.07622	2.6
100.11246	27.8
101.11573	2.4
103.05383	2.1
105.07004	5.8
107.04963	3.2
107.08540	7.0
107.41648	1.9
109.06491	5.9
109.10129	7.2
110.07132	5.0
111.04404	4.2
111.05526	5.4
114.09085	2.5
115.05399	3.7
117.06978	3.7
119.08532	5.5
121.10137	5.9
122.03629	8.2
123.05508	5.2
123.11700	4.8
126.09099	2.8
129.06931	9.9
131.04877	4.5
131.08556	5.8
133.02814	5.9
133.10097	3.6
135.11635	2.5
137.05946	100.0
138.06267	2.5
139.69051	2.2
141.06555	6.1
144.05666	3.3
145.06462	2.7
147.11658	2.3
149.05962	5.6
151.03854	3.5
151.07523	7.7
157.06438	5.9
157.10121	3.2
159.11705	2.8
160.05183	5.6
161.05939	4.4
163.07495	4.3
163.11266	3.4
164.01323	4.3
165.05435	4.9
167.10522	2.2
169.10114	2.2
172.05167	5.7
174.06729	6.3
175.07504	19.7
176.08286	2.5
177.05452	6.4
179.03410	4.4
179.06952	4.6
182.15379	22.7
184.05290	2.3
187.07504	47.2
189.09091	11.8
191.06863	2.4
191.08464	2.7
193.12337	2.2
196.05186	5.5
197.06029	2.8
199.07494	4.0
199.17990	3.8
203.08543	14.8
210.14818	21.9
211.07495	20.3
211.15184	3.1
213.05424	3.9
214.18047	2.8
217.08485	14.2
218.66104	4.6
219.07983	7.8
220.08800	5.1
221.09460	2.5
225.05685	2.3
227.06972	23.3
228.07639	3.5
231.08078	15.5
231.47510	2.4
233.09502	3.0
237.09099	3.5
239.06995	12.7
240.07742	13.4
241.08510	3.2
247.07471	7.4
248.08261	20.5
249.08893	2.7
251.10635	3.0
254.06071	2.1
254.09015	2.5
255.06496	22.0
256.07245	10.5
259.07498	7.6
261.09064	3.7
263.10654	22.1
264.07913	2.5
265.08594	7.9
268.07257	3.1
268.21448	12.2
268.71536	4.9
269.08005	2.6
270.08798	44.8
271.09592	51.2
276.07632	11.2
277.08481	7.3
277.22879	3.3
279.10159	8.6
281.08136	3.5
283.09601	13.8
291.10101	55.8
292.10654	6.3
293.07953	4.9
296.10376	8.0
297.11142	4.2
305.11710	3.0
308.10266	9.5
309.42667	2.2
311.12766	15.5
313.14554	3.1
323.12714	51.8
323.19592	2.5
323.22784	9.5
324.12683	2.4
326.27966	7.6
331.74432	3.8
341.10013	3.1
341.13834	29.1
341.21027	10.4
341.24854	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	341.1375
Annotation	Letestuianin A
Peak:m/z	Relative Intensity
53.03943	0.7
55.01860	1.3
55.05488	2.2
60.29831	0.7
61.02910	1.2
65.03922	0.8
67.05510	1.8
69.03411	2.7
69.07053	1.1
69.89126	4.2
69.89488	1.2
70.06576	3.0
72.08144	2.2
72.93774	1.2
73.02888	1.4
79.05470	3.0
81.03412	1.7
81.07053	3.9
83.04974	1.4
83.08617	0.8
84.04493	1.0
84.08132	3.8
85.02889	2.7
86.09699	4.3
91.03945	1.4
91.05447	5.1
93.07020	2.1
94.04158	2.1
95.04922	1.1
95.08593	1.7
97.02874	1.8
100.11246	1.8
103.05445	2.7
105.07012	7.0
107.04943	2.2
107.08600	1.6
109.06502	2.3
109.10143	1.5
110.07093	0.9
115.05441	2.5
117.07008	2.0
119.04937	2.1
119.08597	4.6
120.08115	1.3
121.06538	1.4
121.10105	1.2
122.03645	6.9
123.11722	0.9
125.09564	1.0
127.03903	1.4
128.03693	0.7
128.06206	1.9
129.06981	3.6
129.10223	1.3
131.04921	2.4
132.05713	3.1
133.06471	3.2
133.10124	2.8
137.05957	100.0
138.06311	1.2
143.04956	0.8
145.06487	1.5
147.04387	3.4
147.08017	6.1
149.05934	2.0
151.07545	1.5
157.06487	1.0
159.08038	2.0
160.05193	2.5
161.05962	13.0
161.09523	0.9
162.06705	1.3
163.07535	1.5
171.08136	1.0
172.05145	0.9
175.07521	39.3
176.07816	1.2
177.09100	3.4
179.03360	1.6
179.06987	1.3
186.12486	0.7
187.07516	9.4
189.09116	2.2
190.07764	3.1
191.08519	7.1
199.07518	4.6
202.07742	1.8
203.08478	4.4
204.10126	1.1
205.06520	0.8
205.08585	1.1
208.08733	1.1
217.08517	1.4
218.07266	2.0
219.07980	10.0
219.09813	1.0
220.08725	2.2
222.11191	0.8
231.08066	4.2
232.08707	1.1
235.07684	1.4
236.08247	2.1
237.05627	0.9
247.07448	5.3
248.08324	2.5
249.08865	1.1
251.06850	1.0
251.08005	1.1
251.10622	14.1
252.11075	0.9
258.05142	1.0
259.07529	4.0
260.08234	1.4
263.07022	0.9
263.10620	3.1
264.07791	1.8
265.08438	1.3
276.07764	1.4
279.10126	14.4
280.10892	1.5
281.08133	1.4
281.11554	0.8
283.06314	1.4
291.10141	5.1
292.10944	1.6
296.10172	2.8
309.11084	1.1
311.12732	17.6
323.12695	6.4
341.10449	1.1
341.13864	11.5
342.09924	1.9
342.13699	1.1
359.02557	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1378
Annotation	Letestuianin A
Peak:m/z	Relative Intensity
53.03934	1.8
55.01870	3.9
55.05487	2.5
67.05492	5.8
69.07055	4.1
70.06573	2.9
70.83706	4.8
71.04966	1.8
79.05472	12.7
81.04535	4.2
81.07037	5.5
83.08599	2.5
84.08141	4.5
86.09686	3.4
89.03947	2.1
91.05449	29.8
93.07018	5.7
95.04947	5.8
95.06084	2.4
95.08596	6.4
96.94735	1.5
97.06554	3.2
102.04675	15.4
103.05452	12.1
105.03360	8.5
105.07021	14.2
107.04984	4.1
107.08579	3.4
109.06501	4.9
109.10142	3.1
110.07146	2.8
111.05564	3.2
111.08040	3.2
115.05466	3.0
118.04145	2.5
119.04916	24.7
119.08570	3.2
120.08102	2.0
121.06479	6.8
121.10097	2.0
123.08042	1.7
123.11716	1.7
130.04100	15.5
131.04944	18.9
133.02811	2.9
133.06470	7.4
133.10115	1.7
135.04419	3.3
135.08006	4.6
136.08806	3.8
137.05974	10.7
137.13164	1.8
141.06609	3.4
145.10179	2.0
146.07277	2.6
147.04379	29.3
149.02335	2.7
149.05936	5.3
150.06741	3.7
151.07507	10.5
161.05952	22.7
162.06734	40.4
163.07399	1.9
175.07573	2.6
177.05519	2.5
179.03369	7.0
179.06995	4.0
187.03868	1.9
190.07712	3.6
191.08548	3.8
193.04930	3.0
202.07823	2.7
203.08554	2.8
205.06429	1.7
207.08069	3.6
217.08585	5.1
219.08008	5.5
220.08693	2.8
222.06699	2.4
231.08057	4.7
235.07549	5.4
247.07544	5.1
248.08330	1.9
263.10718	2.3
265.08521	2.2
277.08542	2.9
279.10355	2.3
281.11450	2.1
291.10257	4.4
309.07538	39.1
309.11197	100.0
310.08096	2.7
310.11526	5.4
312.20761	1.9
323.09076	4.7
323.23282	4.3
341.10211	3.3
341.13812	11.6
341.21289	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	341.0862
Annotation	AESCULIN
Peak:m/z	Relative Intensity
51.76840	0.4
61.02908	0.5
62.05084	0.4
69.84103	2.7
69.84463	0.4
78.76937	0.4
81.03395	0.6
85.02901	2.9
89.03896	1.2
95.02160	0.5
97.02891	0.8
105.03403	0.9
107.04937	0.6
109.92693	0.4
117.03390	1.2
123.04420	3.6
127.03831	0.5
127.22610	0.4
133.02841	10.2
135.04387	2.7
145.05002	0.5
155.24698	0.4
161.02380	0.5
179.03378	100.0
180.03682	1.3
337.57562	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0861
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.5
65.62977	0.3
69.03402	0.6
70.77691	0.7
85.02901	3.0
89.03893	0.7
94.95480	0.3
97.02866	1.2
105.03374	1.1
107.04990	0.6
117.03341	1.1
122.00282	0.4
123.04415	3.4
133.02831	11.3
135.04399	2.5
140.46712	0.4
145.04996	0.8
149.77705	0.4
151.03792	0.5
161.02332	1.0
179.03366	100.0
180.03735	1.8
196.96339	0.4
236.23618	0.4
253.91885	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0863
Annotation	AESCULIN
Peak:m/z	Relative Intensity
51.02365	0.2
53.03934	0.2
55.01880	0.2
56.78901	0.1
57.03423	0.1
59.04955	0.1
61.02913	0.4
63.20779	0.1
65.72297	0.1
69.03426	0.9
71.35992	0.3
73.02914	0.2
77.03905	0.2
80.40598	0.1
81.03389	0.5
85.02389	0.2
85.02888	1.7
86.16485	0.1
89.03914	0.4
97.02891	0.8
105.03353	0.5
109.02856	0.4
117.03361	0.3
123.04411	8.2
127.03879	0.4
128.70700	0.2
133.02834	7.6
134.03094	0.2
135.04391	1.6
151.03885	3.3
166.17453	0.1
179.03366	100.0
180.03683	1.7
224.57034	0.2
316.21933	0.2
341.08560	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0862
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	0.1
53.03933	0.2
57.03427	0.2
61.02898	0.2
68.60587	0.1
69.03407	0.4
69.90414	0.8
77.03921	0.4
78.96317	0.1
79.05486	0.2
81.03401	0.2
83.49855	0.1
84.08096	0.2
85.02884	1.2
89.03903	1.0
95.04934	0.2
97.02832	0.6
99.24673	0.1
99.47419	0.1
105.03379	1.0
107.04941	0.7
109.02879	0.2
117.03351	0.8
117.09124	0.2
119.41688	0.1
123.03546	0.2
123.04415	3.3
126.98284	0.1
127.03861	0.4
133.02835	10.7
133.59966	0.1
135.04391	2.8
137.05954	0.2
151.03894	0.5
155.99814	0.1
161.02328	1.2
179.03365	100.0
180.03696	1.3
192.61777	0.1
249.05159	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0577
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	2.2
55.93509	3.0
61.04044	1.2
67.05482	2.7
67.78803	1.2
69.07041	3.0
69.38841	3.2
69.39264	8.1
70.06586	1.3
72.93768	1.4
79.05479	3.8
81.04512	1.3
81.07034	3.2
83.08602	1.3
84.08091	1.2
84.15063	1.2
85.10185	1.9
90.26120	1.1
91.05473	4.8
93.06993	1.2
94.04173	2.6
94.06561	6.5
95.04929	2.4
95.06112	2.1
95.08596	3.0
96.08125	10.6
98.21605	1.9
100.02200	0.9
103.05451	2.4
105.07041	6.4
107.04943	1.8
107.08559	1.9
109.06496	2.1
109.10167	1.3
111.04364	1.0
111.05501	1.6
112.05891	1.3
112.11224	1.2
113.07098	2.0
115.05445	3.3
116.29744	1.1
117.07042	1.9
119.08545	1.9
120.08083	1.7
121.07596	3.9
121.10160	1.8
122.03628	6.4
122.05986	2.4
123.08046	1.2
128.06204	2.1
129.06992	8.7
131.04927	2.1
131.08583	1.1
132.05710	1.6
133.06474	4.0
137.05960	72.6
138.09129	2.6
143.08517	1.4
145.02776	2.4
145.06482	1.4
145.10155	1.3
147.08061	2.7
149.05931	1.4
153.06976	1.1
157.06464	2.7
159.08014	3.0
160.05235	1.2
161.05952	7.8
163.16238	1.2
168.08064	2.0
170.09682	3.0
171.09196	3.0
172.05214	1.7
175.07536	20.8
175.08977	1.6
177.05501	2.6
179.03371	1.7
185.10706	20.2
186.09186	1.5
187.07607	6.3
190.07817	2.2
191.08531	7.5
199.07454	5.6
202.07825	1.8
202.97957	2.2
203.08580	5.5
207.01021	1.3
213.10191	1.1
216.99522	1.3
218.07118	2.8
219.08038	8.9
220.98978	1.6
225.19432	1.7
227.11777	2.0
229.13411	2.8
231.08017	3.8
236.15547	1.2
236.98524	2.1
240.99533	2.3
244.99094	1.6
247.07497	3.7
247.97646	3.9
248.08328	1.7
248.98357	1.3
251.10677	12.1
256.99069	1.6
257.99643	1.7
259.00519	9.8
259.07556	2.2
261.95569	11.2
263.10699	2.5
265.98758	4.4
277.01559	59.3
277.08273	2.2
278.01947	2.5
279.10138	8.4
291.10040	4.5
292.11093	1.9
294.03131	1.5
295.02606	100.0
296.02936	3.6
299.21121	14.3
300.03137	78.6
300.19589	2.6
301.03369	3.2
311.12744	11.8
318.04218	24.6
319.04330	1.3
323.12711	4.3
323.19992	1.6
340.28183	4.2
341.05835	15.4
341.22137	45.2
341.28333	4.3
342.05960	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	340.1596
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.5
55.01863	5.4
57.03437	5.3
58.11445	1.0
61.02913	6.3
68.99783	1.1
69.03065	2.0
69.03419	28.8
70.06570	2.2
70.52979	1.9
71.04977	4.7
71.87982	1.1
73.02903	5.1
81.03408	21.4
85.02890	100.0
87.00819	43.9
87.04443	1.2
91.03941	1.1
97.02873	31.2
99.04433	12.3
103.03970	1.2
105.01849	83.2
107.12872	1.1
108.04465	2.4
109.02860	26.4
117.01835	3.0
120.08094	1.3
123.51527	1.1
127.03896	76.0
129.01840	3.3
137.05959	2.4
145.04941	35.3
145.97661	1.1
146.05315	1.4
147.02870	1.3
159.02875	12.5
189.03915	2.9
213.04022	1.8
213.13127	1.0
231.04956	26.3
242.06853	1.1
249.06036	9.9
291.10175	1.5
311.94537	1.1
340.16187	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.2839
Annotation	N-oleoyl glycine
Peak:m/z	Relative Intensity
55.05507	11.8
55.41566	0.9
57.03420	1.5
57.07076	5.3
60.04520	23.8
67.05502	8.6
69.06716	1.2
69.07059	16.1
70.06581	1.1
70.07404	1.2
71.08636	2.1
71.63618	1.6
71.64029	1.2
72.24706	0.9
73.81795	0.9
79.05487	2.8
81.07043	12.6
82.07394	1.3
83.08607	13.7
85.10156	1.7
87.04445	1.3
91.05472	2.7
93.07037	3.7
95.08595	11.5
97.06500	1.4
97.10159	8.4
105.06992	1.6
107.08588	2.9
109.06541	1.0
109.10142	8.2
111.11694	1.9
112.85058	0.8
119.08551	3.1
121.10138	3.0
122.10358	1.0
123.11679	2.8
133.10132	2.9
135.11696	1.5
137.09586	2.0
137.13194	1.3
142.15877	8.0
147.11670	1.5
149.13329	1.4
154.12225	3.4
161.13242	1.6
163.14700	1.0
172.13292	2.1
182.19157	0.9
199.71341	0.9
245.22607	2.2
263.23712	3.2
280.26337	9.2
298.27356	8.9
322.27454	1.6
340.28458	100.0
341.29095	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	340.1389
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.9
55.01855	1.6
57.03413	2.8
59.93088	0.8
60.04511	0.9
61.02911	2.0
61.15571	0.7
64.06090	0.8
67.05499	1.2
69.03423	8.2
69.07063	1.0
70.02936	0.8
70.06583	8.7
70.25279	2.5
70.25684	1.6
71.04987	2.3
72.08134	3.3
72.66104	0.7
73.02897	1.7
73.04734	0.8
79.05468	1.4
79.34115	0.7
81.03416	6.3
81.07030	1.6
83.06091	1.5
84.04490	2.7
84.08123	7.3
85.02894	25.2
85.06535	0.9
86.09703	5.2
86.32597	0.9
87.00825	1.1
88.03931	0.9
91.03882	0.8
91.05461	3.2
92.05806	2.6
93.07011	1.2
95.08581	1.2
97.02885	9.9
99.04404	2.1
103.03896	1.0
103.05437	1.2
105.01834	1.4
105.03360	0.9
105.07027	2.6
106.06533	1.1
107.04962	1.0
107.08607	1.1
109.02849	3.8
110.07124	1.8
111.93522	0.7
115.05444	4.1
116.07030	1.2
117.05723	3.4
118.06541	10.2
119.04930	7.7
120.05254	5.9
120.08086	4.6
122.03622	1.1
123.04404	1.4
127.03901	6.5
129.06960	2.8
129.10246	4.2
130.06509	5.4
130.07309	0.9
131.04900	2.1
131.07292	2.2
132.04434	18.0
132.05359	2.1
132.08075	32.6
133.02864	4.0
133.08350	0.9
133.10107	2.1
135.04393	1.9
136.06128	1.6
136.07593	1.3
137.04961	1.4
137.05951	14.1
142.06499	8.5
143.07240	1.1
144.08076	12.8
145.04977	4.0
146.05983	5.0
146.09645	3.7
147.04395	28.5
148.04729	32.1
149.05937	1.2
150.09082	1.4
153.05438	1.7
156.08057	3.6
157.06424	0.8
159.06734	2.8
160.07559	100.0
160.14143	1.1
161.07903	3.1
162.09198	1.2
163.04033	0.7
163.07567	1.2
167.07188	1.3
168.07974	1.1
170.09529	1.0
172.05162	1.0
172.07559	3.3
174.05438	3.7
174.09097	7.1
175.07492	1.5
177.05400	1.9
177.07761	1.1
178.08614	62.4
179.03381	30.8
179.08919	1.6
182.09610	1.4
184.07516	5.4
187.07500	6.4
189.05411	1.1
189.09079	2.8
190.08630	5.1
198.09106	2.0
199.07449	1.3
202.08612	27.3
203.08646	1.7
210.09061	2.9
217.08611	3.7
219.08096	1.5
220.09680	18.5
222.09027	1.2
226.08542	1.8
231.05182	1.6
231.07999	2.2
244.09680	4.1
247.07506	1.4
248.08275	2.4
253.08569	0.8
255.06546	1.4
256.09729	5.7
261.02014	0.7
263.10620	2.5
265.08484	1.2
268.09662	1.7
270.08914	1.9
271.09650	1.7
274.10489	0.8
279.10098	2.3
286.10645	1.8
291.10056	5.1
296.10345	1.0
304.11771	5.0
311.12714	3.2
322.09326	1.1
322.12830	18.3
323.12796	7.0
340.13190	4.1
340.21692	1.0
341.10178	3.4
341.13763	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	339.1069
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37922	0.3
53.03933	0.7
55.01852	0.4
55.05495	0.9
57.03412	0.5
62.00104	0.3
65.03925	1.0
67.05482	1.4
69.03425	3.7
69.07050	0.7
69.79379	2.0
70.06580	2.4
71.04963	0.3
72.08151	0.6
79.05463	0.9
81.03397	1.4
81.07039	1.3
81.81322	0.3
83.04964	0.9
84.04494	0.7
84.08128	1.7
85.02880	1.1
85.06485	0.3
86.09698	1.6
89.03838	0.3
91.05464	11.4
92.05789	0.5
93.07027	0.9
95.04938	0.6
95.08586	1.1
95.80525	0.3
97.02882	0.9
97.06524	0.3
98.20793	0.4
99.88795	0.3
103.05433	0.5
104.10593	0.3
105.07001	0.6
107.04956	0.4
107.08588	0.5
109.02869	2.9
109.10143	1.1
111.04417	0.6
111.08040	0.5
113.09617	0.5
113.47378	0.3
117.03344	0.5
119.04925	24.9
119.08531	0.4
120.05260	0.8
120.08075	1.2
121.06533	0.3
121.10160	0.5
123.07970	0.4
125.09586	0.4
127.03895	1.3
129.10213	0.7
131.10652	0.9
137.05914	0.9
143.10634	0.7
145.02789	1.4
147.04387	100.0
148.04712	3.2
149.05952	0.3
155.51781	0.3
159.07988	0.4
161.05862	0.3
161.11737	0.4
162.06735	0.8
162.17612	0.3
163.03798	0.4
177.05432	3.3
178.04973	0.3
217.12297	0.4
235.13185	0.4
307.09503	1.7
321.13608	0.4
322.12875	0.3
335.07437	0.4
339.15610	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2166
Annotation	Cytosporin D
Peak:m/z	Relative Intensity
55.01871	4.2
55.05508	7.6
57.03431	7.6
57.07039	1.8
58.69483	0.7
65.03912	0.9
67.05494	21.1
69.03424	1.0
69.07056	16.8
70.14383	2.7
71.04980	4.2
75.04446	1.6
79.05479	18.6
81.03391	2.3
81.07047	26.7
82.07351	0.8
83.04980	6.0
83.06075	1.2
83.08602	3.8
84.08123	0.9
85.06528	1.5
91.05464	22.8
93.04510	1.2
93.07028	28.5
95.04951	7.9
95.06038	1.2
95.08042	1.2
95.08593	16.8
97.06510	5.7
97.10114	1.1
99.08077	1.2
103.05434	0.9
105.07016	23.3
107.04951	8.4
107.08575	20.1
109.02816	0.9
109.06512	7.8
109.10137	7.9
110.07153	8.7
111.05540	0.9
111.06805	0.9
111.07419	3.4
111.08118	1.7
113.05984	1.0
115.05359	1.2
117.06218	0.7
117.06998	11.2
119.07775	1.2
119.08562	17.2
121.06499	9.8
121.09328	1.1
121.10131	15.6
123.04450	1.2
123.08034	6.1
123.11637	1.7
125.05946	1.0
125.09577	1.5
128.06187	1.3
129.06982	4.5
130.07741	1.7
131.04884	1.0
131.08553	25.0
133.06422	3.1
133.10110	15.8
135.08040	8.0
135.11674	11.6
137.09587	4.0
139.11168	0.8
141.06947	1.9
143.08566	5.6
145.06375	2.1
145.10098	31.6
147.08009	5.5
147.11673	5.9
149.05902	0.8
149.09598	26.4
149.13240	1.5
151.11157	8.6
153.09100	1.0
155.08533	3.6
156.07828	0.7
157.10069	2.5
158.07332	0.8
159.07996	1.7
159.11682	11.9
161.09581	5.5
161.13222	3.0
163.11154	29.5
165.08990	1.3
169.10141	3.4
171.11609	2.3
173.09601	7.1
173.13251	3.8
175.11076	2.3
175.14781	1.8
177.05449	0.9
177.09070	1.4
177.12720	2.5
177.16403	1.2
179.10666	9.1
183.11646	1.9
185.13164	2.7
187.11166	7.1
187.14807	8.8
189.12646	2.5
191.10689	7.7
191.17824	1.2
197.11639	0.9
201.12791	0.8
201.14801	1.0
201.16354	10.2
203.14282	2.1
205.12141	2.6
205.15831	1.0
207.13618	1.3
209.11687	2.0
211.14752	7.6
219.17412	15.4
223.13286	0.9
224.31631	0.7
229.13676	1.4
229.15840	19.7
231.19305	1.0
247.16893	40.4
248.17160	1.0
248.21893	3.3
253.14038	0.8
265.17960	37.1
266.18198	1.5
275.22821	1.1
276.19647	0.8
277.19919	1.6
293.24136	4.4
303.25964	0.8
321.20560	70.6
322.20789	1.6
339.21494	100.0
339.24603	9.1
340.21741	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	339.1069
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02366	0.4
53.03933	2.3
55.05499	0.7
56.46306	0.3
57.03430	0.6
60.31863	0.3
61.02947	0.5
61.52573	0.4
65.03936	2.0
67.05480	1.2
68.99802	0.5
69.03420	5.7
69.07063	0.7
69.66894	2.7
70.06573	3.2
71.04979	2.2
72.08142	0.6
79.05482	1.3
79.99994	0.3
81.03410	9.4
81.07039	1.4
83.04972	0.5
84.04498	0.5
84.08138	1.6
85.02899	4.3
85.06529	0.5
86.09687	1.1
87.00834	1.8
87.18530	0.3
91.05470	100.0
92.05812	2.9
93.06997	1.8
95.04961	0.9
95.08599	1.2
97.02872	1.5
97.06535	0.5
99.04446	3.1
105.07039	1.2
107.08571	0.8
109.02867	10.9
109.10161	0.9
111.04434	0.6
111.08092	0.5
113.05987	0.6
117.07010	0.9
119.04863	0.6
119.08554	0.8
120.08112	0.7
121.06505	0.9
121.10133	0.9
122.06026	1.8
123.04425	0.4
123.07988	0.4
127.03896	13.1
129.01831	0.5
129.07005	0.7
129.10231	1.0
131.08615	0.6
131.74414	0.4
135.08070	0.6
136.07565	1.5
137.02377	0.4
141.05415	0.5
143.08655	0.5
145.06427	0.4
147.04414	1.2
149.09644	0.6
159.06572	0.4
164.07092	2.8
175.11115	0.5
177.05354	0.5
181.09712	0.9
185.05730	0.5
213.03862	0.4
217.08540	0.5
217.12244	0.8
231.04982	0.7
234.98987	0.4
235.13202	1.0
240.22852	0.4
255.55371	0.3
303.16058	0.5
321.05911	0.6
321.13586	0.6
321.17328	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.1954
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12043	0.9
57.01996	1.0
67.05488	2.7
69.03432	1.0
69.07066	2.2
71.36030	1.9
81.07040	3.4
83.06091	8.3
83.08611	1.2
91.05460	2.0
93.04502	4.4
95.06084	11.3
95.08602	2.9
107.06037	1.6
109.10169	1.5
110.07149	44.5
111.05518	1.4
112.08645	1.3
117.06998	1.0
128.06068	1.0
131.08568	1.1
145.06453	2.3
156.07684	3.1
159.08040	2.5
161.05923	2.4
161.09576	2.9
162.60693	0.9
173.05957	4.3
175.07547	3.1
187.07495	7.3
189.09109	2.4
191.07007	3.9
203.07004	11.0
203.10620	1.7
205.08525	9.5
211.11111	1.3
215.06992	17.0
217.08487	1.1
221.08055	50.4
222.08409	1.6
229.12221	3.9
231.13802	2.3
233.08058	36.6
234.08315	1.8
235.09583	1.6
239.10591	2.6
242.09280	1.3
245.85886	1.1
247.13382	1.5
247.21620	12.9
257.11676	15.8
274.22748	6.1
275.12726	56.0
276.13040	1.8
292.23785	20.0
293.13776	100.0
294.14105	4.4
307.04080	1.0
307.09689	1.3
338.24316	70.0
339.24527	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	339.1069
Annotation	3-p-coumaroylquinic acid
Peak:m/z	Relative Intensity
52.83533	0.3
59.03951	0.2
65.03925	0.8
67.05479	0.4
69.03368	0.3
69.62681	1.1
69.63103	0.8
70.06587	0.3
83.04939	0.6
84.08134	0.3
86.09710	0.3
91.05464	6.9
95.08582	0.3
101.39359	0.3
111.04432	0.5
119.04920	19.8
120.05242	0.3
127.03888	0.3
134.48981	0.3
147.04382	100.0
148.04742	2.7
154.21069	0.2
165.05467	0.3
215.03758	0.2
219.38777	0.3
321.09998	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1069
Annotation	4-p-Coumaroylquinic acid
Peak:m/z	Relative Intensity
50.01616	0.3
51.85954	0.2
55.01846	0.3
55.05481	0.3
65.03927	0.7
67.05477	1.1
69.03423	2.2
69.07054	0.3
69.97488	0.9
71.05006	0.3
72.03310	0.2
72.08155	0.3
73.94138	0.3
79.05471	0.3
79.95898	0.3
81.03388	0.6
81.07060	0.4
83.04948	0.5
85.02892	0.5
86.39189	0.2
91.05469	14.0
92.05808	0.4
93.03349	0.3
93.06994	0.4
95.04958	0.3
95.08591	0.6
97.02854	0.5
98.20757	0.3
102.04674	0.4
103.05489	0.4
105.07007	0.6
107.08611	0.4
109.02840	0.5
109.10148	0.4
111.04395	0.3
111.08093	0.6
115.07914	0.3
119.04929	25.2
119.08572	0.5
120.05284	0.4
123.11719	0.3
127.03928	0.3
137.05957	0.6
137.09615	0.4
145.02843	0.3
147.04388	100.0
148.04720	3.3
161.06013	0.5
162.06679	0.4
165.05489	0.4
177.05453	0.9
177.82841	0.3
219.08162	0.5
295.15695	0.3
307.09579	1.3
339.12167	1.0
341.97726	0.3
344.23831	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.1803
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.7
55.01859	4.7
55.05501	3.8
57.03432	6.9
61.02917	10.4
67.05488	4.4
69.03417	17.6
69.07060	4.3
69.40139	9.1
70.06580	6.1
71.04977	4.6
72.08141	4.4
73.02899	4.0
75.09494	1.0
79.05486	1.5
81.03394	8.6
81.07043	3.1
81.58924	0.9
82.06561	1.7
82.39259	1.1
83.04963	1.6
83.08611	2.0
84.04496	1.2
84.08157	5.3
84.08932	1.3
85.02888	100.0
86.09695	5.3
87.04449	3.5
91.03940	7.0
91.05442	1.3
93.07010	1.8
95.08590	55.6
96.08872	1.1
97.02884	26.6
98.09684	1.5
98.21552	2.2
99.04443	5.6
100.11243	4.9
101.11570	1.4
107.96832	1.3
109.02861	9.3
110.07131	1.4
110.07817	1.4
110.41222	1.0
111.04453	1.5
113.09625	79.2
119.08611	1.3
120.08076	1.2
123.08015	2.1
127.03891	25.1
129.10216	2.1
141.09088	4.9
141.12839	1.3
145.04932	43.4
147.04402	2.9
159.10150	11.0
163.05995	7.3
177.05461	4.5
180.08684	2.7
210.14857	1.5
210.16766	2.4
211.15149	2.7
211.17047	2.5
303.04968	1.3
322.12814	2.1
338.24091	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	338.1704
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	0.3
55.05501	1.7
56.05021	1.1
60.04510	0.9
65.03931	0.4
67.05495	0.7
69.07037	0.6
70.06583	3.8
71.62310	0.4
72.08145	15.7
73.08475	0.3
74.06075	1.1
79.05473	0.5
81.03410	0.3
81.07050	0.8
82.06595	0.3
83.04975	0.6
84.04477	1.3
84.08133	4.1
85.02898	0.7
85.08485	0.5
86.09692	3.3
88.03971	0.9
89.03883	0.3
91.05467	6.0
91.73772	0.3
92.05856	0.3
93.07024	0.3
95.08595	1.2
96.24781	0.2
97.02929	0.4
97.06535	0.6
100.07594	0.7
101.07093	0.4
102.05516	0.4
103.25109	0.3
103.64564	0.3
104.05309	0.6
106.05003	1.0
107.04932	4.4
109.02864	0.5
110.07174	0.4
113.07088	1.4
115.07558	0.7
118.08640	6.8
119.04922	11.9
120.01191	0.6
120.05189	0.3
120.08096	1.8
121.06506	0.6
121.10097	0.4
123.08015	0.6
128.10674	0.3
129.10213	2.1
135.04456	0.4
136.07556	100.0
137.06017	0.4
137.07910	2.5
141.09076	1.2
145.02791	0.5
145.09726	0.8
146.05911	0.3
147.04388	29.2
148.07547	0.6
150.05789	0.4
152.07062	0.6
152.14301	0.3
159.10156	0.9
161.07350	0.3
163.03900	2.5
164.04237	0.7
164.07063	0.8
165.05431	0.4
166.08606	0.7
173.09268	0.6
176.09813	0.3
176.74541	0.2
177.05373	0.5
179.03369	0.4
182.08015	0.3
186.12386	0.4
187.14394	0.3
193.09697	62.9
194.09995	1.2
206.05232	0.5
221.09177	17.0
222.09520	0.3
242.09952	0.4
248.91789	0.3
260.10764	0.3
281.14951	1.2
302.09241	0.3
302.12643	0.6
303.13196	0.4
320.16077	0.3
323.09634	0.4
338.09360	1.0
339.08170	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.273
Annotation	Subamolide C
Peak:m/z	Relative Intensity
53.00281	0.2
53.03920	0.8
55.01869	0.8
55.05503	22.6
56.05826	0.2
57.03428	16.3
57.07067	3.3
57.18547	0.2
65.03937	1.7
67.05494	50.1
68.05820	1.0
69.03414	0.3
69.07057	29.7
69.42426	1.8
70.07394	0.5
71.04987	1.3
71.08624	1.5
73.06522	0.2
79.05481	12.7
80.05814	0.2
81.07043	49.6
82.07394	1.1
83.04975	1.8
83.08606	14.4
84.08924	0.3
85.06527	1.4
85.10163	0.6
87.04465	0.2
91.05468	8.3
93.07028	13.0
94.07349	0.3
95.04955	1.0
95.08591	35.2
96.08886	0.8
97.06509	2.8
97.09522	0.4
97.10151	7.0
99.08086	1.3
101.06016	0.2
105.04522	0.3
105.07011	5.5
107.08578	7.2
109.06506	0.7
109.10138	12.6
110.10500	0.2
111.08062	1.6
111.11690	1.2
113.09628	0.4
117.07017	0.4
119.08560	5.1
121.10120	5.3
122.23158	0.2
123.08068	0.7
123.11691	6.0
123.12565	0.4
125.09593	1.0
125.13221	0.2
127.07531	0.2
127.11183	0.2
131.08556	0.3
133.10117	4.7
134.10513	0.2
135.11679	3.3
137.09578	0.7
137.13242	2.3
139.11163	0.5
145.10045	0.3
147.11670	3.2
147.12781	0.3
149.13232	1.8
151.11165	0.7
151.14787	1.0
153.12703	0.9
161.13239	2.6
163.02690	0.2
163.14781	1.4
165.12724	0.5
165.16370	0.3
167.14265	0.3
173.24858	0.2
175.14818	1.8
177.16353	0.6
179.14233	0.2
179.17892	0.2
189.16347	0.7
191.40948	0.2
193.15862	0.4
203.17911	0.3
207.17415	0.2
240.81432	0.2
245.22623	1.2
263.23633	2.7
337.27307	100.0
338.27634	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	337.273
Annotation	Subamolide C
Peak:m/z	Relative Intensity
53.03947	1.1
55.01845	1.2
55.05503	23.3
56.05823	0.5
57.03428	16.3
57.07069	3.2
64.88985	0.4
65.03922	1.4
67.05494	46.6
68.05819	0.7
69.07058	24.9
69.84573	2.9
71.04969	0.9
71.08608	1.4
79.05482	12.1
81.07044	44.8
82.07349	0.6
83.04969	1.6
83.08135	0.9
83.08607	13.0
85.06529	1.2
85.10144	0.6
91.05461	7.3
93.07031	11.4
95.04962	0.6
95.08592	34.4
96.08892	0.7
97.06519	2.4
97.10158	8.3
99.08069	0.8
101.05940	0.4
105.07018	4.7
107.08580	5.9
109.10143	12.8
109.94805	0.5
111.08064	1.6
111.11707	1.9
115.07549	0.5
119.08548	4.6
121.10125	5.7
123.08009	0.7
123.11696	5.7
123.28269	0.4
125.09621	1.3
133.10130	4.7
135.11665	3.9
137.09656	1.0
137.13251	2.2
139.11200	0.7
147.11652	2.2
149.13213	1.8
151.11189	0.6
151.14767	0.9
153.12755	0.6
161.13240	3.0
163.14752	1.7
165.16351	0.5
170.91162	0.4
175.14810	1.6
177.16374	0.6
189.16362	1.0
195.82651	0.4
203.17990	0.6
245.22588	1.3
263.23697	3.4
337.27316	100.0
338.27658	7.4
343.76511	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2664
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	3.5
56.05027	4.8
56.40877	0.6
57.03425	0.7
57.07056	2.9
60.08160	0.7
65.30265	0.7
66.44247	0.7
67.05489	4.8
68.05013	7.0
68.29890	0.6
68.98923	0.6
69.07062	5.4
70.06566	0.9
71.08620	2.0
71.57789	1.1
71.58179	0.7
79.05467	1.4
81.07031	4.5
82.06565	4.2
83.07347	24.1
83.08605	2.4
84.08128	49.8
85.08434	0.8
85.10166	0.7
88.02201	1.8
91.05503	0.8
93.06981	1.0
94.06564	1.0
95.08599	3.6
96.08102	3.8
97.10155	2.1
101.04229	8.4
109.07615	0.7
109.10127	1.2
110.09656	1.4
120.08029	1.0
121.07616	4.2
122.09689	0.9
123.09174	38.7
134.09572	0.8
150.12660	0.9
177.14459	0.7
190.54846	0.7
216.76758	0.7
265.18405	0.7
280.20493	0.8
310.25446	1.2
337.26663	100.0
338.27151	7.5
338.33914	1.7
356.67511	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2519
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47275	7.5
51.85416	8.1
55.05511	20.4
57.07060	9.8
67.05496	42.8
69.07059	57.7
69.48150	76.5
71.04982	39.8
78.38873	6.4
79.05480	29.1
81.07045	76.9
83.04947	7.2
83.08593	20.9
89.06018	8.0
91.05468	34.9
93.07036	53.9
95.04952	28.5
95.08596	100.0
96.50098	7.0
98.21524	12.6
105.07023	80.0
106.65826	7.6
107.08552	56.1
109.10135	31.5
116.06287	7.4
117.06965	14.3
119.08566	71.7
121.00409	6.9
121.10138	79.4
123.08041	11.7
123.11659	54.6
129.06975	13.7
131.08554	42.2
133.10120	40.3
133.29230	7.9
135.08051	31.4
135.11713	10.4
142.07721	20.0
143.08527	36.2
145.10100	61.0
147.11653	36.0
149.13354	8.1
155.08479	12.6
156.09357	11.3
157.10133	61.3
158.10721	8.9
159.11679	29.7
161.09618	28.7
161.13162	9.9
168.09270	10.7
169.10097	22.8
171.11707	30.8
173.13254	18.8
175.14876	15.7
177.16447	11.4
181.10112	10.3
182.10835	16.3
183.11690	34.5
185.13310	15.0
187.14752	21.5
195.11703	15.6
197.13237	39.6
201.12721	18.0
201.16380	22.1
209.13150	22.7
211.14725	8.3
213.12665	10.9
215.14365	22.4
215.17934	8.5
223.14813	16.9
253.19638	12.4
279.21069	17.8
281.19092	12.9
337.24622	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	337.1641
Annotation	8'-Hydroxyzearalanone
Peak:m/z	Relative Intensity
55.05503	2.2
57.07077	5.5
60.47266	1.2
63.36608	1.2
63.81217	1.2
67.05482	4.0
69.03412	2.1
69.07060	14.9
70.04922	6.4
70.06593	1.4
70.07837	1.7
71.04990	3.4
72.08153	3.7
72.13884	1.2
78.65128	1.0
79.05479	2.1
81.07040	2.9
84.08143	1.8
85.09595	1.2
91.05470	3.4
93.07032	2.4
95.04961	1.6
95.08588	2.6
98.20767	1.4
105.07042	1.9
107.08587	1.6
109.10161	1.7
111.05571	1.2
115.05481	1.6
115.07589	6.7
117.06985	2.8
121.10165	1.1
126.99476	2.6
128.06219	3.0
129.01039	2.2
129.06979	1.6
131.08546	1.8
136.06166	21.1
137.04585	3.7
137.06627	6.0
141.01045	2.2
143.08563	3.6
145.06485	5.4
145.10114	2.4
147.04379	2.0
147.08034	1.7
149.09518	1.1
155.08521	1.4
158.07286	2.7
161.05969	2.9
169.06448	1.8
171.08089	3.4
173.06006	4.5
173.09579	3.0
175.03867	5.6
175.07469	8.8
177.05376	1.4
177.09102	3.1
181.06580	1.7
185.09544	1.7
187.07549	3.4
187.11259	1.5
189.05435	8.7
190.59804	1.2
197.07300	10.8
199.07579	5.4
201.09157	4.1
203.07013	24.7
203.10646	13.6
205.04950	25.6
205.08603	3.3
211.07608	3.0
213.09071	2.1
215.07066	1.5
217.08598	3.2
219.10225	4.1
221.08197	1.5
225.06911	1.3
229.08571	31.9
231.10165	5.2
241.08604	2.1
247.09634	44.8
248.09955	1.4
249.11307	2.2
257.11731	2.3
257.15405	1.9
265.10681	100.0
266.10910	2.8
275.13055	5.8
275.16397	5.4
277.10648	7.7
283.13290	3.3
301.14291	9.0
319.09842	1.7
319.15372	30.1
319.23203	3.9
320.15598	1.5
337.16476	55.8
337.24384	18.3
338.16956	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1487
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	6.4
55.01868	6.7
55.05504	38.6
56.05030	3.2
57.03424	2.4
60.04520	4.5
61.01141	5.0
61.42834	1.5
67.05482	5.3
69.03410	6.6
69.07064	30.7
69.82705	9.8
70.06575	25.4
71.04984	8.0
72.04518	3.4
72.08144	45.7
74.06068	6.3
78.03778	5.3
79.05486	4.6
81.03407	72.5
81.07037	4.0
83.04932	2.3
83.08607	100.0
84.04505	8.2
84.08125	20.0
85.02902	11.0
86.09702	23.1
86.74394	1.5
87.04475	2.2
91.05476	4.6
93.07029	6.6
95.08604	7.8
96.04529	2.0
97.02905	4.1
97.06516	2.5
99.04451	8.0
102.03749	5.0
103.05418	2.5
107.04961	3.5
107.08606	2.6
109.02864	76.1
110.07159	2.9
111.07344	2.7
111.08079	33.6
111.08862	3.1
111.70060	1.7
112.08703	3.5
115.03904	9.0
115.05442	3.2
115.08687	3.0
116.07098	1.9
120.08091	15.5
121.08443	2.0
121.10150	2.3
122.05992	2.4
123.04427	1.6
125.02319	3.6
127.03896	10.0
128.10721	3.9
129.09116	8.4
129.10219	12.6
129.27023	1.6
130.04990	1.7
131.06378	3.8
132.04817	1.7
133.06126	2.6
136.07565	5.6
138.05498	3.1
139.07526	3.5
143.03284	1.9
143.04918	9.2
145.04968	3.5
147.04367	3.7
147.11287	1.9
149.07417	11.5
157.08575	13.0
161.05956	12.6
162.06793	4.5
163.03903	4.1
166.04971	3.4
173.12831	2.8
175.09636	84.1
186.08858	2.0
187.14445	4.2
189.05437	3.2
213.05450	2.4
241.04970	2.2
245.08311	1.9
248.05786	2.1
259.10748	3.7
265.09683	2.3
273.08704	1.8
283.11081	3.1
301.12747	67.0
302.13187	3.1
319.09140	5.7
319.13327	16.3
337.10651	27.1
337.17059	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	337.1386
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05486	3.5
65.03922	3.5
67.05480	1.7
69.03420	1.5
69.07041	3.5
70.06567	2.6
70.07353	1.5
70.17410	3.4
72.08132	2.4
79.05470	1.7
81.07057	5.3
82.06557	1.0
83.08604	2.2
84.04491	1.2
84.08122	4.0
86.09700	4.8
91.05449	2.9
92.04991	3.1
93.03445	0.9
93.07014	1.6
94.06535	1.8
95.04931	1.6
95.08617	1.7
97.05257	1.5
98.06033	1.7
98.09632	1.1
108.08072	1.9
109.06489	5.9
109.10133	0.9
120.04427	4.7
120.08076	1.6
121.10124	1.1
122.05995	0.8
126.09134	87.8
127.09461	1.8
129.10214	1.9
131.24045	0.8
135.08044	1.1
136.03873	1.0
138.05486	16.1
138.09137	2.5
138.12788	1.3
145.06342	0.8
148.03908	11.3
150.05475	11.0
151.05766	1.1
154.04912	1.0
166.04971	100.0
167.05298	3.9
168.13763	2.1
171.85170	0.8
176.03386	1.2
179.10617	0.8
183.13284	0.8
186.12097	0.8
194.04459	63.4
195.04794	2.2
212.05508	33.7
213.10201	1.3
214.14330	9.9
225.10367	1.3
226.10954	2.8
227.11725	3.6
228.10172	1.4
235.91072	0.8
243.07622	1.4
255.11253	3.4
270.09946	6.2
271.10596	2.3
272.11469	9.3
273.12204	9.3
283.10718	3.9
301.11777	51.8
302.12164	2.8
319.12823	17.1
320.12527	1.0
359.15509	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0891
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78069	1.6
53.05559	1.5
56.96560	51.6
57.03420	2.6
59.14622	1.9
61.02908	6.0
65.86380	1.8
68.33998	2.0
69.03422	1.8
70.06565	1.9
70.16016	7.2
70.98108	19.1
71.95258	2.7
73.02901	2.1
74.97585	3.5
75.19592	1.9
84.08096	2.9
84.95997	2.9
85.02882	2.7
88.99140	7.9
94.93001	2.1
96.20391	1.7
96.92823	1.6
97.02906	2.0
98.97575	51.1
107.00170	3.9
110.97551	12.9
112.99094	4.1
116.98598	31.2
119.01984	2.7
124.95467	8.4
128.98604	25.5
131.00156	6.6
133.01683	2.5
133.03474	3.2
134.99597	8.9
140.98555	3.9
142.96501	10.8
146.99641	25.3
149.01208	6.1
152.94919	2.3
152.98564	1.9
156.98033	2.3
158.99681	8.3
160.97600	6.3
165.00705	18.4
167.02211	2.6
170.95972	9.5
170.99641	2.6
174.99138	8.2
177.00679	7.0
177.02267	3.1
184.97569	7.6
186.99147	2.8
188.97064	29.1
189.00679	21.5
193.00195	7.4
202.98595	15.7
205.00230	8.0
206.98056	18.8
207.01736	19.0
212.97072	4.2
217.00137	6.0
218.53423	2.0
219.01781	5.9
220.99644	6.9
223.01251	6.3
227.04021	5.0
230.98093	26.5
232.99611	3.0
235.01228	7.5
237.02805	7.0
244.99670	16.7
248.99205	11.2
249.02850	5.0
263.00726	69.1
267.04001	2.9
272.26483	1.9
277.02377	13.4
281.01871	10.5
284.18332	1.9
286.02258	1.8
295.03650	4.0
295.07007	10.9
305.01633	2.9
335.50955	1.9
337.08868	100.0
338.09088	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	336.3253
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	3.8
55.05501	65.2
55.52968	2.2
55.61827	2.4
57.03432	4.1
57.07063	32.5
65.03942	2.1
65.81101	2.0
67.05491	83.8
69.07055	90.5
70.06577	4.4
70.99286	1.9
71.04980	3.3
71.08612	19.3
72.08155	4.7
79.05468	22.1
81.07039	100.0
81.49548	2.2
82.07378	3.9
83.04980	3.2
83.08129	4.6
83.08602	59.9
84.08134	4.6
85.10158	10.2
86.06051	6.2
89.06010	13.0
91.04932	3.4
91.05439	18.6
93.07025	25.9
94.07312	2.4
95.04967	2.4
95.08588	98.2
97.06525	10.2
97.10149	41.0
98.09712	2.0
99.08103	2.7
100.07617	11.2
105.07030	16.6
105.07631	3.0
107.08583	20.3
109.06488	3.5
109.10128	55.8
111.08073	9.9
111.11658	12.2
114.09140	12.7
119.08569	15.7
121.10133	24.9
123.11684	22.9
125.09635	4.1
125.13248	4.0
126.09132	2.6
127.11183	2.5
128.10689	7.0
129.88391	2.0
133.10095	18.5
135.11674	15.9
137.09569	7.1
137.13245	9.0
139.11148	5.0
142.12285	6.0
147.11658	9.2
149.13240	13.9
151.09618	25.6
151.14783	5.9
153.12758	3.3
156.13916	2.4
161.13261	12.9
163.14798	3.5
165.12724	3.8
165.16400	4.2
170.15375	4.4
175.14810	7.7
177.16348	2.4
178.72371	2.5
179.17885	4.3
184.17017	3.1
189.16373	6.5
203.17807	2.6
205.19482	5.0
219.21091	3.5
221.19011	3.9
221.22693	4.2
222.10208	2.5
235.20512	2.9
235.24103	4.3
240.23045	4.5
263.23807	2.3
289.60788	2.6
301.28836	36.1
319.26120	4.1
319.29898	76.2
320.30072	3.8
336.25980	7.6
336.32526	48.2
337.27240	34.8
346.59235	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	336.3255
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01847	3.3
55.05258	4.2
55.05506	56.8
57.07071	31.4
67.05499	64.2
68.84882	2.3
69.07059	93.8
70.15810	10.9
71.08624	18.4
72.04498	4.1
72.08148	5.8
79.05479	17.4
81.06567	5.6
81.07048	100.0
83.04971	2.9
83.08612	75.9
85.06532	4.9
85.10204	5.7
86.06059	6.7
89.06023	10.4
91.05452	12.5
93.07042	25.5
95.08590	91.5
97.06516	12.3
97.10164	45.1
97.73966	2.2
100.07620	16.2
100.11222	2.8
105.07009	11.1
107.08572	19.2
109.10146	54.6
110.10474	2.5
111.08073	10.3
111.11694	14.5
114.09152	11.2
119.08555	11.1
121.10132	23.9
123.07995	3.9
123.11688	24.4
125.09614	6.6
125.76067	2.6
126.09136	3.4
128.10695	8.5
133.10133	15.1
135.11676	18.3
137.09593	4.2
137.13223	13.4
139.11189	5.5
142.12251	6.2
147.11656	11.1
149.13298	7.0
151.09662	14.4
151.11237	2.9
151.14822	8.5
156.13744	5.9
161.13264	6.2
163.14790	7.0
165.12775	3.1
165.16411	5.0
168.01646	2.6
170.15433	5.9
175.14830	5.5
177.16380	4.6
184.16969	8.0
189.16385	5.0
190.65601	2.3
193.19647	3.4
198.18571	4.4
205.19542	6.0
212.20100	3.0
221.22861	3.7
223.20552	2.9
235.24092	3.3
238.21643	4.0
240.23264	6.1
249.22058	2.5
254.24808	4.9
263.23639	3.4
298.62875	2.8
301.05942	2.7
301.28839	29.8
319.29895	81.8
320.30496	2.8
336.32562	76.4
337.27310	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	336.289
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02341	0.3
53.03910	1.3
55.01868	2.3
55.05502	14.3
57.03407	1.1
57.07070	1.9
58.06383	0.3
58.06642	0.4
60.08146	2.8
65.03902	1.1
67.05492	34.6
69.03399	0.7
69.07058	10.3
70.06554	0.3
71.04987	2.0
71.08601	0.4
71.62566	0.6
73.02901	5.1
74.24097	0.3
75.28980	0.3
76.31851	0.3
79.05479	26.7
80.05803	0.4
81.03400	0.5
81.07044	25.7
82.07349	0.7
83.04969	1.5
83.08605	5.6
85.06500	1.0
86.09661	1.0
87.04414	0.9
91.05463	14.2
92.05750	0.4
93.07026	27.6
94.07352	0.5
95.04945	2.1
95.08588	19.1
97.06530	1.4
97.10123	1.1
98.98405	1.1
99.04439	13.0
99.08038	1.1
105.04493	0.5
105.07008	9.4
107.04916	0.5
107.07859	0.7
107.08574	12.0
109.06441	1.3
109.09444	0.5
109.10138	7.2
111.08031	0.8
112.39406	0.3
113.05966	1.1
117.06979	2.6
119.07778	0.4
119.08564	6.3
121.10116	8.4
123.08040	1.0
123.11668	1.2
123.13473	0.3
125.05935	0.8
125.09634	0.4
125.10709	0.6
126.06570	0.4
131.08557	3.7
133.10106	5.5
135.07993	0.4
135.11664	3.3
137.09567	0.6
139.07462	0.3
143.08488	0.6
145.10081	3.3
147.11662	2.5
149.09596	0.7
149.13174	1.3
149.14182	0.3
151.11069	0.6
153.09122	0.3
155.01022	1.8
155.10686	0.7
157.10100	0.4
159.11676	1.5
161.13167	0.8
163.11086	0.4
163.14746	0.5
171.11612	0.7
173.13191	1.0
181.12122	0.3
183.17343	0.4
185.13116	0.4
187.14725	0.4
195.13771	0.5
207.13710	0.4
215.17940	0.4
237.39809	0.3
277.21579	74.8
278.22006	4.0
281.03473	0.3
336.28903	100.0
337.23456	0.4
337.25204	0.5
337.29202	6.1
337.32260	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.1913
Annotation	Gly Leu Phe
Peak:m/z	Relative Intensity
55.05502	0.7
58.20421	0.3
59.98321	0.3
60.04499	0.8
62.06062	0.4
67.05490	0.8
68.83204	0.3
69.03422	0.4
69.07051	1.4
69.32236	0.3
70.06573	3.1
70.56076	0.7
70.56444	0.6
71.04961	0.3
72.08140	0.5
75.05577	0.4
79.05478	1.2
81.07043	1.3
82.03712	0.3
84.04504	0.5
84.08125	1.6
85.02908	0.6
86.09692	100.0
87.10030	1.3
91.05471	0.9
93.07027	1.4
94.07351	0.7
95.04944	0.7
95.08595	0.9
97.06514	0.3
103.05464	1.8
105.06997	0.5
107.04924	0.6
107.08572	0.9
109.02859	0.7
109.06503	0.4
109.10162	0.4
117.06973	0.4
119.08578	0.5
120.08084	68.2
121.08411	1.2
121.10084	0.4
129.06819	0.3
129.10258	0.7
131.04892	1.4
132.10181	1.8
133.10057	0.5
135.11644	0.8
136.07524	0.8
136.11938	0.4
137.05968	0.4
137.07881	0.5
138.05492	0.3
138.14209	0.3
143.11772	82.1
144.12108	0.8
145.10107	0.4
149.05936	1.0
157.09891	0.3
161.46634	0.3
166.08614	34.7
167.08951	0.6
171.11263	23.9
172.11649	0.3
177.10201	9.7
199.17981	0.4
205.09686	3.4
277.08643	0.3
279.16965	0.8
318.18057	0.3
318.24393	0.3
336.12283	0.6
336.15936	0.6
336.21805	0.5
337.10608	1.5
337.14041	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2572
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
53.03927	1.5
55.01866	1.1
55.05501	11.9
57.03428	11.9
57.07049	1.9
59.23408	0.7
61.61592	0.6
65.03909	1.9
67.05495	44.3
69.07055	10.7
71.04984	1.0
71.18398	1.6
72.99124	0.9
78.41769	0.7
79.05478	22.0
81.07041	48.2
83.04976	1.2
83.08596	5.7
85.06507	1.1
91.05467	13.2
91.87968	0.6
93.07027	28.3
93.07616	1.5
95.04952	2.8
95.08589	41.8
97.06509	1.6
97.10130	1.9
99.08059	0.9
105.07009	9.3
107.08574	17.4
109.06487	1.6
109.10135	16.7
111.08050	0.9
117.06984	3.4
119.08556	7.6
120.58978	0.8
121.10116	15.7
121.94385	0.7
123.08040	1.4
123.11697	6.4
123.79124	0.8
125.09553	1.0
129.05453	1.2
131.08536	4.9
133.10103	6.2
135.11656	11.6
137.09576	0.8
137.13223	2.7
145.10115	4.8
145.11082	0.7
147.11632	5.2
149.13211	8.4
150.13646	0.7
159.11652	4.2
161.13200	4.9
163.14766	4.6
165.12721	0.8
173.13292	4.7
175.14801	2.0
177.16342	2.4
187.14833	2.1
201.16235	1.0
210.93527	0.7
243.21046	8.0
261.22037	10.6
277.21530	1.4
307.46918	0.7
317.24695	2.0
335.25739	100.0
336.25827	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	335.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	2.1
56.05003	0.4
57.65583	0.4
62.98289	0.4
67.05494	4.3
69.07050	1.3
69.66436	2.7
69.66856	0.7
79.05476	3.4
81.07043	4.3
83.04972	0.5
83.08604	0.7
86.63004	0.6
87.04453	0.5
91.05451	2.0
93.07033	3.1
95.08620	3.6
99.04430	1.2
103.69225	0.4
105.07018	1.4
107.08561	1.9
109.10138	1.3
111.05542	1.6
119.08537	1.1
121.06525	0.5
121.10129	1.4
123.05546	1.0
131.08531	0.6
133.10146	0.9
149.13219	0.5
195.09866	0.8
205.07623	0.9
233.07144	0.6
249.24181	1.0
276.23187	0.5
277.21613	5.4
294.24292	1.1
318.24457	0.5
335.21878	100.0
335.26736	3.1
336.21957	4.6
336.25369	1.8
336.28656	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	335.2573
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
53.03930	1.2
53.46483	1.0
55.05500	12.7
56.27839	0.9
57.03430	14.4
57.07053	1.5
59.35740	0.9
60.96384	1.0
65.03902	2.2
67.05495	48.5
67.72461	1.0
69.07051	11.5
71.02731	2.3
71.03061	1.2
71.04975	1.6
79.05479	26.1
81.07046	53.1
83.04932	1.5
83.08607	5.0
85.06541	1.4
85.10153	1.1
91.05470	11.4
93.07034	28.8
95.04948	2.9
95.08593	40.2
97.06509	2.0
97.10187	1.5
105.07023	9.0
107.08594	14.9
109.06480	1.4
109.10140	19.8
117.07038	2.2
119.08532	5.3
121.10128	14.2
123.08063	1.3
123.11720	7.5
126.27605	1.3
131.08580	5.2
133.10130	6.4
135.11676	9.1
137.13213	2.4
145.10147	2.7
147.11670	3.9
149.13190	5.0
151.11162	1.0
159.11668	4.1
161.13219	2.2
163.14764	2.9
165.14189	1.1
173.13229	3.9
175.14862	1.5
187.14767	2.3
243.21097	2.1
261.22067	7.8
265.26285	1.4
335.25748	100.0
336.26053	5.0
350.21399	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2572
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
53.03905	2.1
55.05502	14.0
57.03431	14.4
57.07057	2.6
60.03924	1.7
67.05495	58.7
69.07053	14.6
69.35926	3.8
69.36333	13.1
71.08597	1.7
79.05482	28.3
80.82791	1.6
81.07043	57.3
83.08585	6.4
85.06513	1.8
91.05457	14.5
93.07027	29.1
95.04945	2.3
95.08588	41.9
97.06536	2.3
97.10149	1.8
105.07022	9.0
107.08578	15.9
109.10148	15.6
117.06987	4.0
119.08562	9.1
121.10139	13.7
123.11667	5.4
127.23808	1.6
131.08517	5.5
133.10091	4.8
135.11644	11.6
137.13232	1.7
145.10109	5.1
147.11667	3.6
149.13243	4.4
159.11734	2.5
161.13191	2.6
171.45599	1.8
173.13271	5.0
187.14815	1.8
208.49510	2.0
241.05118	1.6
261.22058	4.8
322.21103	1.6
335.25742	100.0
336.26132	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	335.1598
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.6
55.01861	0.5
55.05493	1.5
56.99375	0.4
67.00463	0.4
67.05495	6.8
69.03415	0.8
69.07050	1.4
70.06586	1.5
70.14039	0.8
70.14453	1.4
71.04979	0.5
72.08147	0.7
77.03893	0.5
79.05486	1.3
81.03397	0.6
81.07053	3.1
83.04963	0.7
83.08628	0.6
83.70265	0.4
84.08123	1.3
86.09682	0.8
91.05463	1.8
93.07014	2.6
94.06552	5.3
95.04961	1.4
95.08591	1.6
97.02862	0.9
97.06541	0.7
98.98446	0.5
105.06999	1.2
107.04940	0.7
107.08570	1.6
109.02832	0.5
109.06503	0.6
109.10143	1.6
119.08553	1.4
120.08084	1.3
121.06500	0.5
121.10133	1.3
121.71310	0.4
122.06014	16.4
123.05514	1.3
123.08034	0.8
126.05392	0.5
129.10234	0.8
131.08511	0.4
133.10092	1.3
135.07971	1.1
135.11693	0.6
136.07559	53.9
137.07889	1.1
137.09593	0.9
140.07065	1.0
143.08472	0.5
145.10100	1.1
147.11662	0.7
149.09625	0.7
151.07582	0.8
157.10135	0.7
159.08018	0.5
161.09657	0.5
163.11186	0.5
164.07047	100.0
165.07465	1.9
182.08107	87.3
183.08470	2.1
189.08998	0.5
191.10716	0.6
196.09647	1.6
201.16335	0.4
215.14136	0.5
240.09091	0.6
240.52954	0.4
243.11287	0.8
244.09496	0.4
257.09079	0.4
257.13058	0.5
271.10666	2.4
289.11807	1.1
317.11276	2.1
317.14746	1.3
317.20895	0.6
335.14951	0.8
335.18591	0.7
335.22195	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1232
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.2
55.48301	1.7
66.84737	1.8
67.05494	7.0
69.03407	2.2
69.07059	100.0
70.06601	2.2
70.21919	9.5
79.05484	3.9
81.03409	4.8
81.07049	9.2
83.04954	1.8
84.20412	2.0
92.05014	2.5
93.07018	5.9
94.06544	3.5
95.04961	1.8
95.08608	3.5
97.06524	14.6
105.07014	4.7
107.08595	2.8
109.02868	8.9
109.06501	2.2
109.10134	2.6
112.54005	2.0
119.03638	2.2
119.08586	2.7
119.53376	1.9
121.06480	2.3
121.10129	3.1
122.06034	4.7
123.05560	3.3
131.68916	1.8
133.10086	1.9
137.05994	3.2
138.05453	4.3
140.07005	9.4
145.08868	3.3
145.10039	4.0
146.09656	3.5
148.61307	1.8
150.05486	81.4
159.11723	2.3
161.08315	2.4
163.11174	4.7
166.04962	26.9
168.06470	2.7
172.07478	2.8
172.11237	2.6
173.08325	3.0
174.12794	5.7
176.03429	8.7
178.05110	2.7
186.07591	2.8
190.12166	3.6
191.10628	2.1
194.04651	2.4
200.10715	9.8
202.12282	7.3
216.10219	3.4
218.11694	27.2
227.61400	2.3
228.10217	17.5
229.13293	2.2
234.11258	3.6
246.11212	26.4
261.12091	2.3
271.10678	4.2
272.09235	4.4
274.10727	3.0
287.10095	6.4
289.11832	10.2
290.10135	2.9
299.10352	5.8
317.11307	36.0
317.17151	2.6
317.20795	2.7
335.12329	36.4
335.15982	4.0
335.22220	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	335.0736
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53860	1.8
53.29716	1.5
56.72992	1.7
64.84218	1.6
68.61944	1.6
70.08183	6.1
78.95620	3.6
79.85688	1.5
84.08137	1.8
87.41669	2.0
90.85676	2.3
94.93032	10.7
96.92213	9.6
96.92806	8.0
97.02872	4.9
112.89590	14.2
114.89300	5.0
119.01880	5.9
123.05544	20.1
127.08667	3.9
131.01910	2.0
133.03442	3.0
136.93976	3.6
139.91466	22.1
141.91270	2.4
143.01860	3.9
145.03455	3.7
155.01880	2.1
157.03423	2.5
159.05011	2.6
161.02960	6.4
173.02924	2.2
175.09003	3.7
177.06233	1.6
185.02969	4.0
192.90955	2.1
195.00218	2.0
203.03856	1.9
203.08345	2.6
215.05138	3.9
216.03288	1.7
216.92780	21.2
216.94838	2.8
227.05167	1.7
228.03438	1.8
231.93817	3.0
232.90123	40.7
232.92271	10.5
233.88290	3.3
233.90508	36.3
233.92700	8.4
233.99234	5.9
234.89973	100.0
234.92130	17.7
245.05177	3.9
248.93407	2.1
249.89864	2.3
250.89418	6.8
261.92828	4.2
263.06003	2.1
335.03821	3.2
335.07312	57.9
335.10965	20.0
335.85388	1.8
336.07245	5.0
351.73514	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.3098
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05483	0.4
57.03399	0.3
57.07067	0.2
60.22673	0.1
62.32901	0.1
67.05492	1.0
69.07047	0.3
69.28420	1.5
71.68314	0.1
79.05463	0.6
81.07037	1.1
81.43507	0.1
91.05473	0.3
93.07055	0.7
94.06553	0.2
95.08589	0.8
105.06998	0.2
107.07317	3.3
107.08501	0.3
109.10157	0.2
115.53603	0.1
119.08592	0.2
120.08073	2.1
121.08841	0.5
121.10166	0.2
133.45230	0.1
134.09630	1.5
135.11670	0.2
145.10019	0.1
147.07225	0.1
148.11179	0.3
151.09891	4.9
162.12802	0.5
164.10692	2.7
165.11525	0.7
176.14284	0.3
178.12248	2.7
178.15779	0.2
182.34685	0.1
190.15866	0.3
192.13773	0.4
192.17485	0.1
204.07324	0.2
204.17435	0.3
206.15422	0.7
206.18990	0.2
218.19064	0.3
220.16959	0.3
232.06770	0.2
234.18539	0.4
236.19991	0.2
248.20032	0.2
250.74686	0.1
262.21698	0.3
290.28372	15.0
291.28641	1.0
316.29971	0.5
334.30966	100.0
335.25745	2.1
335.31299	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	334.3098
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	0.7
55.01852	0.8
55.05503	5.9
57.03428	6.5
57.07064	1.7
61.67420	0.2
65.03922	0.9
67.05495	22.0
69.03371	0.2
69.07056	6.0
70.74266	0.7
71.04977	0.5
71.08621	1.4
72.04507	6.3
79.05482	11.2
81.07044	19.2
83.04967	0.9
83.08598	2.5
85.06515	1.0
91.05466	5.7
93.07029	13.3
94.06577	0.2
95.04953	2.8
95.08593	17.4
97.06523	1.0
97.10132	0.8
98.21431	0.3
98.98451	0.5
99.08077	0.7
100.29955	0.2
105.04489	0.4
105.07013	4.4
106.06545	2.3
106.59135	0.2
107.07354	2.7
107.08572	5.6
108.08021	0.2
109.06507	2.5
109.10136	5.9
111.08044	0.5
114.09150	1.7
117.07018	1.2
118.06481	0.3
119.08559	2.6
120.08096	3.2
121.06477	0.4
121.08841	0.6
121.10128	4.8
123.08060	0.5
123.11695	2.3
125.09565	0.3
128.10670	0.4
129.06973	0.2
131.08574	1.9
133.10106	2.5
134.09621	1.0
135.08008	0.5
135.11668	3.2
137.09511	0.5
137.13245	0.3
142.12225	0.5
145.10094	1.3
147.11668	1.2
148.11169	0.4
149.05931	0.2
149.09601	0.3
149.13234	1.5
150.09120	0.6
151.14798	0.3
159.11655	1.0
161.13252	1.0
162.12747	0.7
163.11137	0.3
163.14778	0.7
164.10808	0.2
165.12726	8.8
165.14113	0.5
166.13063	0.6
173.13293	1.5
175.11139	0.3
175.14809	0.3
177.12621	0.2
177.16248	0.2
178.15839	0.3
179.14383	0.2
180.13744	0.3
182.15382	1.3
187.14748	0.4
188.04646	0.6
189.04990	1.0
191.14264	0.7
191.16661	1.1
192.17453	1.0
196.74190	0.2
201.12585	0.4
203.06956	1.4
204.07326	2.5
204.17441	1.1
205.18007	0.3
206.19000	0.6
212.16473	0.8
218.19012	1.0
220.17014	1.0
220.20670	0.2
221.08075	0.4
229.19460	0.4
231.06541	0.6
232.06825	1.9
232.20491	0.6
235.19235	0.3
236.20062	3.6
237.20360	0.2
243.21045	0.4
244.20612	0.5
248.19969	0.4
250.07959	0.7
261.22147	0.9
271.20590	0.7
289.21475	0.8
290.28372	27.8
291.28671	1.8
316.26352	0.8
316.29807	0.4
334.27386	8.7
334.30966	100.0
335.22083	2.6
335.25742	38.5
335.31290	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	334.2733
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13103	0.5
51.74918	0.4
55.01861	1.9
55.05505	6.3
55.41140	0.6
57.03427	5.8
57.07064	4.5
65.03919	0.7
67.05491	23.3
69.07061	7.5
70.36236	0.5
71.04990	1.1
71.08620	4.1
71.18086	1.1
71.18428	0.7
71.92001	0.6
72.04504	29.2
79.05476	13.6
81.03368	0.5
81.07040	24.7
83.08599	2.3
85.06535	1.5
87.04453	1.0
88.07616	0.5
91.05453	7.3
93.06454	1.0
93.07025	15.0
95.04958	6.9
95.08587	19.9
97.06485	2.6
97.10121	1.0
98.98450	0.7
99.08076	2.3
100.07616	1.1
105.07000	4.6
106.06546	2.5
107.04917	0.6
107.07318	2.4
107.08572	8.8
109.06499	9.4
109.10130	7.2
114.09138	6.8
117.07003	1.6
118.06503	0.6
119.08564	5.3
120.08103	3.2
121.06499	0.7
121.10129	5.2
123.08100	0.9
123.11687	2.0
125.09589	0.7
128.10654	2.9
131.08528	3.3
133.10100	5.3
135.08009	1.5
135.11685	2.4
137.09584	1.0
137.37221	0.6
142.12189	1.4
145.10103	2.7
147.11604	2.6
149.09552	0.6
149.13205	2.4
150.09134	0.7
156.13855	1.2
159.11690	1.1
161.13194	0.9
162.12874	0.7
163.11090	1.1
163.14784	1.3
165.12724	40.8
165.82216	0.5
166.13225	0.6
171.63632	0.5
173.13213	4.1
175.11150	1.6
175.14751	0.6
180.13805	1.3
182.15388	6.7
183.11662	0.6
184.13326	0.8
187.14806	0.8
188.04655	1.5
189.05037	2.3
191.14314	3.3
191.16689	1.6
192.17380	0.7
194.15271	0.6
201.12761	2.1
203.07095	2.9
204.07362	5.1
204.17451	1.0
212.16418	4.8
218.19106	0.8
220.16922	6.2
221.08026	0.7
229.19435	1.7
231.06525	1.5
232.06796	4.8
232.20457	0.7
236.17599	1.1
236.20045	17.0
238.21620	0.7
244.20505	1.5
248.20076	0.7
248.23708	2.8
249.07382	0.9
250.07828	2.7
261.22171	1.4
271.20459	3.5
275.12811	0.9
289.21567	4.2
290.28360	27.8
302.65359	0.6
316.26172	3.9
325.72061	0.7
334.24017	2.3
334.27292	35.5
334.31000	100.0
335.21915	3.4
335.25647	34.6
335.31219	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.2218
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	5.7
55.05741	0.5
56.04989	0.7
56.05791	0.3
57.07068	2.4
58.02908	0.4
58.06543	0.7
60.04481	0.5
67.05497	1.9
69.03374	0.5
69.07059	5.6
70.02894	0.4
70.06586	2.8
70.56312	0.9
70.56685	0.5
71.04966	0.3
71.08569	0.8
71.42803	0.3
72.04465	0.4
72.08124	0.4
73.02909	2.2
74.02425	1.5
79.05446	0.6
79.25681	0.2
81.07038	2.8
82.06530	0.5
83.08604	8.7
84.04486	3.0
84.08083	1.1
85.36377	0.3
86.02412	1.6
88.03976	10.4
88.07619	2.0
91.05405	0.8
93.06966	0.5
95.08597	3.0
96.08041	0.7
97.10153	3.5
98.98421	0.5
99.00765	0.6
100.03963	2.4
100.07577	0.4
102.05529	4.6
105.06988	0.6
107.08544	0.4
109.10085	0.4
110.09588	0.2
111.08189	0.3
112.11205	0.2
114.05524	1.3
114.09156	1.2
116.03365	0.5
116.81030	0.3
118.08618	0.3
119.08517	0.4
121.10124	0.4
123.05471	0.5
128.03363	1.0
128.07056	2.1
132.09352	0.4
132.10178	4.4
133.10027	0.5
134.04420	0.5
137.13145	0.7
142.04897	0.3
142.07729	0.2
142.08621	3.0
147.07996	0.3
156.10159	1.3
156.17448	2.3
157.15790	0.3
159.08006	0.7
161.09558	0.2
166.15895	12.8
167.16154	0.8
173.05887	0.5
175.07462	0.5
180.17363	0.4
182.19016	0.4
183.95380	0.3
184.16902	0.5
187.07468	0.7
191.06963	0.5
194.13857	0.5
201.14484	0.3
203.06944	1.1
204.07297	0.6
208.16902	2.0
211.11134	0.5
212.16428	17.3
213.16721	1.0
215.06920	0.8
221.08055	5.4
222.08313	0.4
226.17984	14.9
227.18268	0.8
228.23125	0.7
229.12175	0.6
232.06891	0.4
233.08014	0.8
239.10562	0.4
242.09315	0.3
254.17468	11.7
255.17764	1.4
257.11688	2.0
271.20087	0.4
272.18488	100.0
273.18845	5.0
275.12698	4.9
275.20026	0.8
276.12921	0.4
290.26849	0.6
292.15497	0.4
293.13947	1.2
316.21042	3.4
334.13089	0.4
334.16501	3.0
334.23721	1.8
334.29456	18.0
335.07047	0.9
335.23499	0.5
335.29721	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.1643
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11303	0.8
55.05502	4.4
57.07038	1.1
58.06596	6.1
62.15379	0.7
65.74976	0.7
67.05462	2.7
68.04993	1.0
69.03421	4.2
69.07027	2.9
70.06544	1.7
70.41451	2.8
71.04944	0.8
71.08591	1.2
72.05005	0.7
72.08113	0.7
81.03374	0.9
81.07027	1.5
82.06529	1.5
83.04943	1.3
83.08575	3.0
84.04492	5.8
84.08127	3.8
85.02882	1.0
85.04807	0.9
85.06518	1.3
86.09673	1.0
88.11242	1.6
89.38106	0.7
91.05448	2.0
93.06997	1.7
95.04944	0.7
95.08596	1.4
96.04460	1.0
98.98425	2.1
100.07575	3.2
100.11240	7.7
102.05443	1.0
105.06986	1.9
107.08576	1.2
109.02844	1.2
109.06478	0.9
109.10144	0.7
110.05997	1.0
110.07087	0.7
111.04401	2.3
114.05516	4.1
115.05490	0.8
117.06957	2.6
118.95557	0.7
119.04899	0.8
119.08562	1.3
120.08048	0.7
123.05510	2.3
126.09063	0.6
128.07059	1.6
129.06995	1.2
130.04932	3.0
131.05215	0.8
135.07976	1.0
141.10381	0.7
141.11438	2.8
142.04971	3.9
145.06465	4.6
147.04355	0.8
147.08015	0.9
148.30089	0.6
150.51730	0.7
159.08035	4.1
161.05945	1.7
163.07524	1.6
163.11198	0.9
169.10130	1.3
170.15381	4.4
171.85779	0.8
173.05954	10.1
173.09615	0.8
175.04033	0.7
175.07558	5.3
177.09123	0.8
179.08495	1.4
181.10106	0.8
182.15385	4.3
187.07500	5.4
189.05151	1.4
191.07027	7.4
196.08838	0.9
197.09554	1.8
198.10202	0.8
198.14873	4.2
199.07524	1.0
199.11235	0.9
199.18031	1.5
201.09071	1.1
201.12697	1.8
203.06989	23.0
203.10320	1.0
204.07317	1.9
205.04820	1.5
205.08614	2.7
207.08122	0.7
209.08067	1.0
209.16458	1.4
210.14865	4.8
211.11150	5.2
212.66133	1.0
214.09833	1.4
215.06993	9.5
215.10587	1.1
215.66718	0.8
218.66196	1.3
221.08051	100.0
222.08336	4.9
224.08269	1.1
225.09119	2.2
226.09875	1.6
226.17982	1.5
227.06967	2.1
227.17471	1.3
229.12210	14.1
231.06535	0.8
231.10210	0.8
231.13802	1.3
232.07773	2.1
233.08049	14.8
239.10658	7.9
241.09657	1.1
242.09378	4.4
243.42728	0.8
245.07977	1.3
247.13246	1.3
255.17863	1.7
257.11688	42.3
258.12079	2.4
262.21423	6.6
262.71542	1.4
263.09048	1.2
272.18237	11.6
272.20901	1.7
274.08997	1.2
275.12729	84.8
276.13120	6.4
282.19235	1.3
292.15366	13.0
293.13724	22.7
294.14206	1.5
314.28110	1.7
317.13757	5.5
325.74518	2.3
334.16440	60.6
335.16992	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	334.1495
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86811	0.5
56.05024	1.4
56.96554	1.2
59.37256	0.5
60.04517	2.9
61.02912	1.3
69.03409	2.4
69.07050	0.6
69.16821	0.5
70.06574	4.5
71.61143	0.6
72.08149	3.1
73.02898	1.0
74.06072	0.7
81.03390	0.9
81.07030	0.7
84.04482	1.8
84.08128	6.0
85.02876	4.7
85.08454	0.6
86.09698	7.1
87.05556	1.5
88.03973	2.0
91.05491	0.8
94.04156	0.9
97.02874	6.5
98.06036	0.6
98.97584	3.1
98.98489	3.1
102.05517	0.8
106.64954	0.6
109.02862	1.2
115.04987	1.4
116.07049	1.0
116.98593	3.1
119.04926	0.5
122.03615	3.9
123.05539	23.2
123.06455	1.1
127.03920	3.0
128.96411	0.6
129.10204	1.1
130.04944	1.6
130.08594	0.8
131.08095	0.6
132.10213	3.0
134.99620	1.4
135.04388	0.6
136.06161	1.3
137.05952	100.0
138.06303	2.3
140.60167	0.5
145.04929	1.5
157.06073	2.1
159.11285	2.5
175.07158	2.1
177.00639	3.2
177.13249	0.6
180.08641	0.9
185.05537	0.5
187.10741	0.8
187.14380	2.1
195.01730	2.6
203.06628	3.7
215.13855	1.4
217.38846	0.6
219.01688	0.9
232.06799	1.1
235.01207	0.7
247.01205	0.9
253.02338	1.1
265.02295	2.2
270.14371	0.8
292.04874	0.8
300.62247	0.6
307.16797	0.6
316.18677	1.6
317.11316	0.9
334.19727	0.8
335.07605	0.8
335.10956	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	333.2629
Annotation	9,10,18-Trihydroxyoctadecanoic acid
Peak:m/z	Relative Intensity
53.03936	1.8
55.01854	1.6
55.05261	1.2
55.05503	17.7
57.03408	2.6
57.07067	5.2
62.43953	0.9
65.03912	1.2
65.06530	0.9
67.05495	53.5
69.07055	24.9
71.04984	5.2
71.62282	1.6
79.05481	17.5
81.07047	65.3
81.19157	1.0
83.04965	3.8
83.08605	9.9
85.06518	3.9
86.09737	0.9
91.04939	1.3
91.05466	8.9
93.06456	1.4
93.07030	20.3
95.04945	2.2
95.08593	60.9
95.21782	0.9
97.06506	5.2
97.10171	8.6
98.98446	8.2
99.08062	2.1
105.07000	6.0
107.08572	15.6
108.12939	1.0
109.06535	2.5
109.10139	32.9
111.08041	1.7
111.11688	2.5
117.06989	2.4
119.08576	7.5
121.10127	15.4
123.08016	1.8
123.11691	15.6
125.09614	1.7
131.08551	5.5
133.10123	5.5
135.07974	1.5
135.11667	13.1
137.09633	1.5
137.13240	8.9
139.11156	2.2
141.08998	1.0
143.08578	0.9
145.10106	5.0
147.11655	7.7
149.09573	1.9
149.13223	4.5
151.11209	2.7
151.14801	2.7
159.11606	2.9
161.13263	6.7
163.14821	2.6
165.12761	4.2
167.07100	1.2
167.10617	1.2
167.27530	1.0
173.11708	3.7
173.13228	4.1
175.14786	1.9
176.98883	1.7
177.12790	1.1
177.16364	1.3
179.14261	3.3
181.12221	1.4
187.14828	2.7
188.04607	1.2
191.14236	1.1
195.13716	2.2
203.06953	3.6
207.30244	0.9
209.15335	3.4
221.08046	2.7
223.16898	2.9
231.06473	2.0
243.06068	1.0
243.21036	7.9
249.07458	1.1
257.11630	1.4
261.22119	22.3
272.18561	1.2
275.12805	2.5
279.23151	100.0
280.23508	3.8
297.24207	12.9
305.51645	1.0
321.53281	1.0
333.13007	4.5
333.20709	1.5
334.16574	1.4
341.47537	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2379
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33269	0.3
55.01858	0.6
55.05500	5.1
56.05021	1.0
57.07066	2.5
58.02919	0.6
60.04475	1.1
67.05489	3.3
68.04998	0.9
69.03401	0.6
69.07057	4.7
69.98255	2.1
70.02919	1.0
70.06583	1.9
71.04974	0.8
71.08612	0.6
72.04491	1.0
72.08143	0.5
73.02895	0.5
74.02420	0.9
79.05461	1.0
81.03383	1.1
81.07050	4.4
82.06549	1.1
83.08143	0.6
83.08603	7.8
84.04459	1.7
84.08121	2.1
85.02809	0.6
85.06504	0.6
86.02404	2.3
87.05576	7.0
88.03978	2.6
91.05427	1.6
93.06990	1.8
95.04939	0.9
95.08589	3.9
96.04453	0.7
96.08077	1.6
97.06487	0.7
97.10146	3.2
98.09663	1.4
98.20760	0.4
98.98453	7.5
99.00795	0.6
100.03928	1.2
100.98869	0.5
102.05518	2.7
105.06973	0.9
107.08544	1.5
109.02886	2.8
109.06463	0.6
109.10131	1.3
110.05992	0.9
114.05485	1.7
119.08537	1.1
120.08035	0.5
121.10121	0.8
122.10467	0.5
123.05535	0.7
123.08069	0.4
127.03882	0.7
128.03416	0.7
128.07048	1.5
130.04906	0.5
131.08485	0.7
133.06026	0.8
133.10133	0.5
135.11685	0.7
136.06113	0.4
137.39508	0.4
142.08572	1.8
147.04326	1.2
147.11575	0.8
149.05928	0.4
149.13162	0.4
154.15898	0.7
156.17482	4.5
159.07846	0.5
159.11684	0.5
161.05888	0.5
166.15887	18.6
167.16216	0.5
168.17429	4.7
173.05869	0.4
173.37425	0.5
176.98872	1.2
180.17426	1.7
182.19009	2.3
183.18436	0.5
188.04617	1.7
192.17461	0.6
203.07018	4.4
208.16946	3.0
210.18488	0.8
212.16437	20.9
213.16675	0.9
214.18057	0.5
215.06859	0.5
221.08029	3.0
225.19577	9.2
226.17969	7.1
226.20038	0.7
227.18468	0.5
227.21118	1.2
231.06450	3.6
243.06245	3.7
249.07542	1.7
254.17490	18.2
255.17792	0.8
256.22986	0.4
257.11670	1.7
271.20123	100.0
272.18430	2.3
272.20499	2.7
275.12732	3.0
279.22171	0.6
280.19318	0.5
287.20047	0.5
293.13736	0.9
297.21698	3.8
315.12015	1.2
315.17343	1.2
315.22699	4.8
333.13043	25.4
333.20172	0.9
334.13116	2.7
334.16568	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49171	0.3
55.05491	0.8
57.07058	0.3
58.06591	0.7
66.26814	0.3
67.05481	1.3
69.07049	0.6
69.31493	0.6
69.31902	2.9
70.06571	0.9
79.05482	0.5
81.07044	0.7
83.08612	0.4
84.08131	0.5
86.06035	0.6
87.04441	1.1
91.05470	0.6
92.98007	0.3
93.07015	0.8
95.08597	0.6
98.06036	2.2
98.98449	4.7
99.06363	0.8
105.07011	0.8
107.08559	0.6
108.08771	0.3
109.10117	0.3
112.07591	0.4
116.99508	0.4
118.06535	0.4
119.08563	0.6
121.06520	0.4
121.10092	0.4
131.08556	0.3
133.10097	0.4
147.11702	0.4
157.10033	0.3
159.11664	0.4
160.28799	0.3
173.05829	0.4
176.98947	0.7
177.05542	0.3
193.04988	0.8
203.07123	0.5
210.64247	0.4
221.08087	2.5
225.24335	0.3
233.07977	0.4
243.06091	0.4
246.22232	0.4
247.13014	1.7
247.22414	1.7
257.11612	1.5
270.24164	0.9
271.24554	4.7
275.12714	2.2
275.20172	0.7
292.15738	0.3
315.15805	0.6
315.19260	5.6
315.27246	0.9
316.22699	0.5
333.13190	4.2
333.20319	100.0
333.75870	0.4
334.16428	1.4
334.20636	3.8
334.24106	1.9
334.29370	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1903
Annotation	9-Hydroxylinaloyl glucoside
Peak:m/z	Relative Intensity
53.03920	2.7
55.01856	3.1
55.05494	2.4
57.03415	4.2
57.07066	13.7
59.04993	9.6
60.04506	3.1
61.02911	8.3
64.91074	1.1
67.05495	10.3
68.29504	1.1
69.03071	1.8
69.03417	24.8
69.07055	11.5
69.51170	8.3
69.51590	2.4
70.06565	4.5
70.96622	1.1
71.04971	5.6
73.02890	3.4
79.05463	2.6
81.03388	10.1
81.07038	7.4
83.04946	3.7
83.08591	4.0
84.04459	1.6
84.08115	5.3
85.02889	68.6
85.06527	11.5
85.10149	1.5
86.09686	11.2
87.04444	3.6
87.05585	1.5
87.10030	3.1
91.03938	3.3
91.05459	3.7
93.07044	6.6
94.06516	1.1
95.04936	4.6
95.08589	41.7
97.02874	20.9
97.06507	7.9
98.98455	20.7
99.04425	5.1
99.08070	14.5
100.98868	1.6
103.03924	1.3
105.07061	1.3
107.08577	12.7
109.02871	8.0
109.06500	9.6
109.10136	19.3
111.04415	1.8
111.08047	10.0
111.11714	2.5
113.09621	47.8
117.07016	1.1
119.08537	1.7
120.08091	2.4
121.10098	1.8
123.05508	2.8
125.69904	1.3
127.03892	14.1
127.11173	41.8
127.50356	1.3
128.11517	1.3
129.10222	1.8
133.10110	2.2
135.08029	1.7
135.11684	15.9
136.06206	1.8
137.05908	1.4
137.09593	1.5
137.13213	2.3
137.81200	1.1
139.07506	1.3
145.04929	17.2
153.12718	100.0
154.13084	2.7
155.14253	5.4
167.06967	1.3
169.12209	1.6
169.67227	1.1
171.13777	64.4
173.12874	4.9
174.13113	4.8
175.07436	1.2
176.98872	2.1
177.12729	2.6
179.03348	2.5
185.05893	2.3
188.04668	6.6
188.07010	2.0
195.13817	2.8
201.12216	1.7
202.12585	1.9
203.06976	15.1
213.14763	3.1
228.12961	1.5
231.06505	12.1
249.07562	4.4
279.15802	2.6
301.11835	2.7
315.19797	2.8
333.10611	2.6
333.14529	2.8
333.18948	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	333.19
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	9.5
53.76624	3.3
55.01858	13.5
55.05498	27.2
56.05020	6.8
56.36068	3.7
57.03191	3.2
57.03434	37.4
57.06812	5.0
57.07065	59.4
61.02912	13.5
61.63922	3.3
62.87395	4.1
67.05470	21.9
69.03415	37.1
69.07059	30.9
70.06581	18.8
71.04982	7.4
71.62110	5.6
72.08131	9.5
73.02886	4.7
78.68897	3.3
79.05469	14.7
81.03404	51.5
81.07047	52.3
82.07352	3.4
83.04974	31.7
83.08593	19.9
84.04490	34.5
84.08131	41.6
84.43115	3.6
85.02892	100.0
85.04248	3.3
85.06520	21.7
86.09692	17.6
87.04453	6.4
88.86977	3.3
91.03934	7.1
91.05460	14.5
92.05801	4.1
93.07025	14.7
95.04942	8.5
95.08581	15.6
97.02879	29.2
97.06501	11.3
97.10155	18.4
98.06040	4.2
98.98455	67.2
99.03893	3.5
99.04430	19.0
99.08076	53.5
100.98869	4.5
102.05524	8.7
103.05421	5.1
104.05263	8.8
105.07006	14.3
106.05013	4.8
107.04933	8.7
107.08579	17.0
109.02866	62.4
109.06491	12.0
109.10139	60.8
110.07161	4.9
111.08094	8.2
113.05968	3.2
117.06967	4.7
119.04947	3.6
119.08554	11.4
120.08086	23.9
121.06473	3.8
123.08060	3.6
123.11675	8.8
125.06008	6.3
125.09608	17.4
127.03884	33.3
127.11176	59.3
129.10228	27.4
130.04980	16.8
131.08569	9.2
135.08020	11.7
137.05968	8.6
137.09575	8.8
137.13205	6.8
138.09094	5.3
140.98410	3.9
145.04939	27.3
145.06415	5.3
145.10078	7.4
147.04309	4.8
147.11642	15.9
148.06021	4.6
149.09578	11.0
151.07489	5.3
151.11101	10.9
153.12732	51.3
155.14268	80.1
163.05963	4.8
167.00024	11.7
167.07014	3.8
169.12186	4.4
171.10138	4.6
171.13774	42.3
174.11288	4.3
175.09006	4.1
175.11205	4.4
176.98875	11.2
177.12740	6.6
185.06006	5.9
187.05818	3.4
188.04688	23.7
189.11180	20.0
189.12704	11.0
193.12212	4.4
195.13785	14.3
197.12804	6.1
203.06966	50.7
204.76421	3.5
207.13759	10.9
211.13268	5.8
222.98976	12.6
231.06477	34.9
236.96774	4.6
241.00017	14.2
249.07610	23.8
250.98450	8.4
251.09175	4.3
253.14342	6.6
255.13235	3.7
256.01953	3.3
257.17279	10.1
268.99545	32.2
287.00543	68.4
292.01074	28.0
310.02094	32.8
311.02271	6.4
315.09702	4.2
315.14075	15.0
315.19714	9.6
315.26752	3.4
333.03775	5.1
333.11069	4.9
333.16937	27.6
333.24301	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	333.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	1.0
55.93520	7.3
56.94293	2.3
57.07070	11.4
59.14505	0.7
67.05485	2.9
69.07054	1.1
70.95863	4.0
71.08633	5.8
71.63583	1.3
71.64289	0.7
71.93001	1.4
72.93781	9.8
74.09681	0.8
78.00249	0.7
78.16758	0.7
79.05482	2.0
81.03409	1.6
81.07029	3.4
83.04977	1.1
85.10175	4.2
88.96868	1.6
89.06021	14.7
89.94048	0.8
90.94812	7.5
91.05461	5.1
93.07039	3.6
95.04993	0.9
95.08596	2.1
98.98467	6.1
105.06999	3.2
107.07056	1.4
107.08553	1.4
108.95848	4.2
109.06506	0.8
111.04378	1.0
113.96391	2.1
119.08561	2.1
120.03461	0.7
126.98420	2.1
128.96336	1.5
129.06934	1.8
129.97079	0.9
130.08647	0.8
131.08556	1.7
131.97461	1.0
131.98643	1.4
132.95833	0.8
133.08606	1.7
133.10101	0.8
137.05957	5.8
138.98331	1.1
142.97902	0.8
144.99446	1.5
146.97330	1.3
148.98955	1.1
150.96846	1.1
151.02048	1.3
151.09648	11.2
151.97635	2.2
154.97859	0.8
156.99350	0.7
159.01013	1.2
160.05186	0.8
162.96875	1.0
164.99982	3.2
165.97118	1.6
166.97913	1.9
168.99449	0.9
172.98988	1.1
175.02016	0.9
175.07468	0.8
176.98573	1.0
178.97896	2.9
183.98178	2.2
184.98964	1.3
185.05962	1.2
187.00496	1.3
188.04652	7.0
189.03525	0.9
192.99477	1.7
199.02130	0.9
200.02959	1.0
201.03618	1.8
203.07004	18.6
203.08679	0.9
213.03651	1.5
215.05214	1.6
221.02480	1.0
225.03748	0.9
227.05197	2.1
228.05876	1.1
231.06462	12.4
237.05733	1.0
240.06049	0.7
241.05171	1.6
249.07498	6.4
255.06784	1.5
275.07242	1.5
277.09149	0.8
279.08365	2.4
281.09781	4.5
283.11453	1.0
329.12015	4.1
331.13480	7.0
333.15079	100.0
333.29950	1.3
333.33081	4.2
334.15430	8.5
351.16147	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1361
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	1.9
55.01851	2.7
55.05495	5.5
56.68651	1.1
57.03424	1.7
57.07066	54.9
58.99569	4.6
63.52240	1.3
64.73251	1.2
67.05492	15.7
69.03401	1.9
69.07053	20.5
69.55141	11.9
70.06572	4.1
71.04965	3.7
71.08616	9.0
77.00603	2.2
79.05480	49.2
81.03397	1.8
81.07043	25.1
83.04974	1.7
83.08601	3.2
84.04494	4.2
85.01110	1.8
85.02889	2.2
85.06529	71.3
86.99033	9.3
87.08079	1.5
91.05464	49.7
93.07028	30.5
95.04959	5.6
95.08591	11.5
97.01083	2.0
97.06511	23.5
98.98450	16.6
99.08035	1.7
105.00066	3.4
105.03384	3.3
105.07014	37.6
107.04942	9.7
107.08578	18.0
109.02849	1.3
109.06511	5.5
109.10159	2.7
110.04763	1.7
111.02643	2.6
111.04399	3.2
111.05568	2.3
111.08038	2.7
114.05505	5.9
117.07001	2.0
119.04903	3.4
119.08562	20.1
121.06483	4.8
121.10136	11.5
122.75873	1.2
123.02676	1.9
123.04406	34.0
123.05344	2.3
123.08065	1.9
125.04195	1.2
125.05939	9.5
127.05743	9.5
128.06129	1.5
129.06990	1.8
130.04990	7.5
131.08530	3.5
132.99467	3.2
133.06436	4.5
133.10103	3.6
135.02600	2.0
135.04350	2.2
135.07930	1.6
135.11696	8.2
137.04193	4.2
137.05949	6.3
137.06909	1.3
137.13263	2.1
139.05736	3.6
142.04944	5.4
142.07738	1.4
143.08533	1.4
145.10120	4.8
147.04428	8.9
147.08032	1.8
147.11664	67.0
148.11978	1.4
149.09610	1.5
149.13240	15.4
151.05725	3.2
151.07533	4.7
155.05261	3.7
156.17459	1.5
157.10080	3.7
159.01234	1.6
159.11690	1.6
165.09076	1.7
165.12726	17.4
169.06699	1.5
171.11575	2.4
175.11157	27.5
176.98882	2.5
177.12733	2.1
179.08818	1.3
181.10342	2.2
188.04633	3.8
193.12213	87.4
194.12544	2.4
195.13750	4.0
199.11169	1.7
201.05734	6.2
203.06949	10.1
205.10490	4.5
207.08304	4.2
207.11990	1.6
211.13266	4.8
223.11440	12.7
225.09415	5.3
231.06479	5.7
233.09955	2.4
241.12451	2.2
248.59016	1.5
249.07602	4.6
251.10951	13.5
254.17484	4.3
261.19339	1.3
269.12024	100.0
270.12387	1.7
271.13535	2.1
271.20129	17.1
279.10507	1.4
287.13089	65.2
288.13043	1.4
297.11398	9.5
305.18634	10.0
307.25497	1.4
315.12540	47.8
315.22879	2.9
315.26315	1.7
333.13605	22.4
333.21057	2.2
333.24765	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1326
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	0.5
55.94552	0.5
57.07069	21.4
66.40691	0.5
70.87597	2.0
85.06535	2.1
91.05487	1.2
99.00159	0.6
104.06231	0.8
106.12225	0.6
115.05454	1.7
117.06992	2.2
128.06201	0.8
129.06985	1.7
131.04884	1.4
132.05685	1.1
143.04947	0.7
145.02895	0.6
145.06465	5.0
147.08058	1.4
155.04897	0.8
155.06024	1.0
159.04320	1.2
160.05144	5.7
161.05945	2.4
163.07468	1.2
170.03563	0.7
172.05177	5.8
173.02299	4.2
173.05920	1.6
174.03033	0.8
175.07512	4.3
185.05940	7.7
187.03856	1.3
187.07455	1.0
188.04657	47.5
189.05055	0.6
203.06999	100.0
205.08549	1.4
206.05690	0.6
231.06488	66.6
232.06810	0.7
249.07538	28.8
357.01675	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1361
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15416	1.5
55.01854	3.2
55.05493	6.8
56.96557	2.2
57.03434	2.1
57.07064	66.6
58.99571	7.3
59.04972	2.0
60.05703	1.5
67.05489	16.2
69.03407	2.0
69.07055	19.9
70.06571	2.3
70.89054	4.1
71.04964	3.2
71.08619	9.4
72.08144	2.1
73.02890	1.5
77.00583	2.3
79.05477	53.6
80.05811	1.5
81.03416	3.4
81.07045	25.6
83.04964	2.9
83.08566	2.0
84.08096	4.2
85.02887	2.1
85.06525	84.6
86.09679	1.9
86.99024	6.6
87.02596	1.4
87.08092	3.1
91.05464	41.8
93.07024	32.4
95.04936	5.7
95.08604	10.7
97.01128	2.2
97.06506	24.5
97.10130	1.9
98.98453	30.1
100.98887	1.8
105.00050	4.6
105.03390	4.1
105.06372	2.5
105.07019	32.6
107.04948	8.6
107.08575	20.6
108.08924	1.7
109.06500	4.5
109.10120	3.0
111.02656	2.7
111.04410	3.9
111.08051	2.5
112.35888	1.4
117.07008	3.9
119.08549	15.8
120.01121	3.2
120.08069	1.6
121.06483	3.8
121.10103	6.8
123.02532	1.9
123.04408	33.7
123.05449	3.7
125.04183	2.8
125.05977	9.2
127.05751	12.8
129.06976	3.3
131.08530	4.1
132.99469	3.7
133.06512	1.9
133.10106	2.1
135.04395	2.4
135.08009	2.3
135.11664	10.2
136.06129	2.7
137.04190	4.4
137.05945	7.5
137.09550	1.9
137.13284	1.7
139.05771	3.2
139.07437	1.7
145.10065	4.8
147.04381	2.2
147.08026	1.8
147.11662	64.7
148.11983	1.5
149.13225	14.4
151.05696	2.5
151.07524	4.0
155.05200	3.2
157.10080	3.4
159.11273	2.0
163.04964	2.3
165.12714	20.3
167.06990	1.7
167.14313	1.6
171.11711	1.9
175.04991	38.9
175.11160	20.6
176.98862	5.8
177.12642	2.0
179.08821	1.9
188.04680	5.2
193.12202	82.3
193.86327	1.5
194.12651	3.5
194.21942	1.6
195.13750	6.4
199.61771	2.1
201.05743	3.5
203.06950	14.6
205.05992	7.2
205.10422	4.3
207.12021	2.9
211.13260	4.7
223.11539	10.3
225.09430	2.2
229.09613	2.4
231.06548	11.2
241.12419	3.4
249.07555	4.0
251.10919	10.2
258.29578	1.5
269.11996	100.0
270.12317	4.2
271.13538	3.8
286.60672	1.7
287.13058	69.8
297.11411	5.8
297.15802	1.6
315.12543	40.5
316.12875	2.3
333.13522	15.1
333.17984	29.6
333.21185	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.2786
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05259	0.5
55.05505	4.3
57.07061	1.4
61.56692	0.5
67.05494	1.0
68.05008	1.1
69.03414	3.0
69.07053	5.2
70.06579	11.6
70.58534	1.7
83.08603	3.7
84.04471	0.6
86.06046	11.3
87.04449	18.0
95.08578	1.2
97.10164	1.8
98.06035	62.9
98.98448	1.3
104.07076	0.9
111.11687	0.5
112.07591	1.1
184.20573	10.4
234.95752	0.4
240.02881	0.4
252.23163	9.0
270.24219	100.0
271.24554	3.7
289.13049	0.4
314.26822	20.7
315.27167	1.1
332.27881	51.3
333.28137	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	332.3307
Annotation	Piptamine(antibiotic)
Peak:m/z	Relative Intensity
53.36449	0.1
55.05488	0.2
57.07066	1.1
58.06580	0.2
59.34302	0.1
63.69181	0.1
67.05478	0.5
67.52251	0.1
69.07037	0.3
69.54534	1.1
69.54955	0.2
70.06581	0.2
71.08595	0.5
76.52159	0.1
77.08410	0.1
79.05434	0.1
81.07027	0.4
83.04937	0.2
91.05465	0.5
91.58200	0.1
93.07014	0.1
95.08575	0.4
97.02893	0.2
98.98442	2.3
105.06992	0.2
107.07292	0.2
108.08115	0.3
109.10127	0.4
116.42651	0.1
119.08569	0.4
120.08083	0.3
121.08865	10.1
122.02730	0.2
134.09624	5.0
135.10416	1.2
137.09332	0.1
146.09662	0.2
148.11183	5.2
162.09125	0.3
162.12746	0.8
175.07465	0.2
176.10744	0.4
176.14339	1.4
176.98927	0.3
185.05980	0.2
188.04634	1.0
190.12215	0.2
190.15889	0.8
203.07005	2.4
204.17458	1.1
207.06378	0.2
213.09651	0.3
218.18974	0.6
220.20599	0.3
231.06490	1.9
231.10696	0.4
232.20561	1.2
234.22169	0.2
246.22171	0.4
249.07629	0.9
260.23709	0.2
270.24426	0.2
288.26736	0.5
289.27078	0.2
314.27631	0.5
332.29626	5.5
332.33041	100.0
333.29910	0.3
333.33389	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	332.2175
Annotation	Ser Leu Ile
Peak:m/z	Relative Intensity
54.59375	0.4
55.05502	0.4
56.05033	0.6
60.04519	20.7
60.51775	0.3
67.05515	0.4
69.03426	0.5
69.07063	1.3
70.02944	1.1
70.06589	1.5
71.04987	0.4
71.62790	0.7
72.04519	0.6
72.08157	0.6
75.57181	0.4
79.05486	0.5
79.82811	0.4
81.03429	0.5
81.07045	0.9
84.04503	0.5
84.08138	1.6
85.02906	0.7
86.09696	81.5
87.05583	14.0
87.10030	0.6
91.05506	0.5
95.08612	0.7
97.06503	0.4
98.98459	7.4
100.11236	1.3
107.04982	0.4
111.04355	0.4
112.11243	0.5
120.08110	1.0
128.10706	9.1
129.10246	0.5
131.25493	0.4
132.10194	6.0
136.06143	0.6
141.07448	0.5
143.08565	0.5
143.11806	0.5
147.11626	0.4
149.58125	0.4
153.12784	0.5
154.02057	0.5
162.05681	0.4
163.05847	0.5
166.95380	0.4
173.12842	100.0
174.13194	1.2
176.98924	1.0
193.12134	0.4
201.12323	40.9
202.12607	0.8
213.10228	0.8
219.13403	1.3
223.08522	0.4
238.24628	0.4
241.09550	0.6
245.18582	2.8
269.09268	0.4
286.04074	0.5
287.10315	1.3
297.08554	0.5
314.03656	1.4
315.09680	1.3
315.12912	0.8
332.04996	0.6
332.24487	0.9
333.07251	2.2
333.10767	8.0
333.14246	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.2578
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05470	1.5
56.05824	0.4
56.33373	0.4
57.07069	7.9
67.05468	0.5
69.56058	0.8
69.56456	2.9
70.06564	0.4
81.07002	0.5
83.04934	1.4
83.08591	0.6
84.05338	0.4
85.06499	1.2
87.04458	28.2
87.62431	0.4
91.05470	0.7
93.05748	0.4
93.07028	0.4
95.08591	0.5
98.06033	0.6
98.98454	5.2
106.06536	0.5
110.93123	0.4
117.06981	1.1
118.06532	11.6
119.07310	7.6
119.08571	0.6
120.08079	2.3
129.06985	0.4
131.04947	0.5
132.08054	1.6
136.06180	3.7
145.06430	1.1
147.07982	0.5
153.61549	0.4
160.05150	1.2
161.05925	0.5
163.07503	0.4
172.05141	1.6
173.02290	0.8
173.05920	0.6
175.07500	1.4
175.18484	0.3
176.98854	0.8
185.05968	2.6
188.03009	0.8
188.04659	13.9
189.04996	0.7
192.20137	0.4
203.07008	32.8
204.07362	1.5
204.10217	0.7
205.08626	0.5
222.08459	0.8
222.96176	0.4
231.06490	24.8
232.06805	0.8
238.14206	0.4
246.22136	63.0
247.22458	2.0
249.07555	12.7
270.24265	3.1
286.25284	0.5
319.43436	0.5
332.25781	100.0
333.26193	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	332.2173
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04512	19.3
61.48497	0.3
67.05506	0.4
68.05028	0.3
69.07059	0.9
70.02945	1.3
70.06580	1.4
71.57603	0.6
72.04508	0.6
72.08147	0.5
81.03374	0.5
81.07073	0.4
83.04971	0.5
84.04488	0.5
84.08118	1.0
86.06064	0.3
86.09689	79.1
87.05574	14.9
87.06110	0.7
87.10032	0.9
91.05462	0.7
93.07038	0.4
98.98457	4.8
100.11250	0.9
110.09641	0.5
112.11254	0.4
118.98498	0.3
120.08064	1.0
120.08828	0.3
126.09122	0.6
128.10695	8.5
129.10190	0.6
132.10176	6.6
136.03171	0.3
139.03810	0.3
154.02107	0.5
155.11772	0.5
156.10083	0.4
173.12827	100.0
174.13141	1.9
180.03740	0.3
188.04591	0.4
201.12303	39.7
202.12653	0.8
203.07039	1.2
211.13147	0.5
213.10199	0.4
219.13348	1.0
227.08418	0.3
231.06480	1.1
245.18614	2.3
249.07565	0.7
288.18057	0.5
314.03653	1.5
314.19839	1.0
315.03992	0.3
332.04794	1.0
332.15329	0.5
332.21500	1.1
332.24683	0.7
333.07156	0.8
333.10782	1.4
333.14352	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.2063
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	1.1
55.01860	4.1
55.05503	5.4
56.05011	2.4
56.10423	0.8
57.07047	2.3
60.04515	6.3
67.05220	0.8
67.05499	8.0
68.05007	1.2
69.03422	5.9
69.07059	7.6
70.06579	14.6
71.04982	4.1
71.61888	0.8
72.08123	2.6
74.06061	2.7
79.05479	8.1
80.04996	1.2
81.03394	5.7
81.07040	14.6
82.06560	1.2
83.04966	5.4
83.08591	3.7
84.04491	7.2
84.08125	10.6
85.02873	3.9
85.06535	2.9
86.06049	25.3
86.09689	12.5
87.04449	22.6
88.03975	16.3
91.05468	5.8
93.07031	13.5
95.04939	3.7
95.08587	8.2
96.08119	2.4
97.02892	2.0
97.06503	6.7
97.10110	1.3
98.06039	9.8
98.98444	24.8
99.04462	1.7
100.98856	1.1
102.05521	2.9
104.07091	22.7
105.07025	9.6
106.05018	7.2
106.98053	0.8
107.04919	2.9
107.08581	15.1
108.08102	1.2
109.06493	3.6
109.10125	1.9
111.04405	1.2
111.08052	3.6
112.07590	7.2
113.05966	1.8
116.99456	1.0
117.06982	2.2
119.08539	3.7
120.08065	3.5
121.06467	3.7
121.10119	8.3
122.02724	2.2
122.06028	0.8
123.05505	1.7
123.08026	2.8
123.11692	1.8
124.07572	10.2
125.09495	1.1
126.05490	1.1
126.58006	0.8
128.07045	1.1
129.06967	1.2
129.10229	2.4
130.07733	0.9
130.08598	1.3
131.08469	2.9
133.10110	3.1
135.08003	1.6
135.11656	3.8
136.06137	1.2
136.07562	1.1
137.05995	1.9
138.12740	1.2
139.11221	1.0
140.07043	1.6
142.08598	3.2
145.10114	5.3
146.08076	1.2
147.04340	0.9
147.11678	4.4
149.09583	13.2
149.13098	1.0
151.07501	1.5
153.05397	0.9
157.10059	1.8
158.08121	3.6
159.11682	1.1
163.11169	12.7
165.00076	1.1
165.12709	2.4
166.12314	1.4
167.10648	6.1
169.08577	19.8
173.09604	1.5
173.12834	2.7
175.11072	1.4
176.98888	3.2
181.12198	4.7
182.15353	2.1
184.13326	2.7
185.02611	1.0
185.11758	1.9
188.04630	2.8
191.10611	5.3
192.13750	0.9
193.12231	6.9
195.13829	2.0
201.12263	1.8
203.07002	4.3
209.11696	2.4
210.14835	5.0
211.00516	2.3
211.04300	0.7
211.13266	16.8
212.16502	1.5
224.16257	0.9
227.12741	12.0
228.16022	1.0
231.04378	0.9
231.06499	6.1
243.03149	1.0
244.16563	2.7
249.07582	1.9
250.17982	2.1
252.15912	2.4
256.16922	2.0
260.16367	1.9
268.15530	1.7
268.18954	1.3
270.16937	9.0
278.17459	3.4
286.16583	1.0
288.17990	7.4
296.15341	1.6
296.18515	4.6
300.05154	2.0
314.19547	100.0
315.19901	3.4
332.13297	2.3
332.17014	11.9
332.20651	2.9
332.24265	2.7
333.10638	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.1523
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	1.0
55.05496	3.6
57.03429	1.2
57.06866	0.7
57.07072	7.9
58.40963	0.7
58.99575	5.0
65.03925	1.1
67.05168	1.1
67.05502	15.7
69.03406	0.9
69.07063	7.6
70.06570	3.6
71.04967	1.1
71.08636	4.6
71.62688	1.7
74.00269	0.8
74.00661	8.8
76.02219	2.0
79.05484	16.2
81.03407	1.0
81.07049	22.9
83.04972	5.3
83.08592	1.4
84.08120	2.2
85.01115	1.9
85.02897	1.5
85.06541	13.6
86.09690	3.7
86.99045	2.5
88.03979	3.8
91.05471	17.7
93.07029	11.1
95.04969	3.9
95.08592	15.3
97.02897	1.4
97.05955	0.7
97.06513	5.0
98.98456	26.2
99.02657	2.2
99.08067	4.6
100.11245	1.2
100.98829	1.0
102.00107	2.2
103.05492	1.5
105.00069	2.9
105.07017	19.0
107.04934	1.9
107.08578	13.5
108.08170	0.8
109.01061	1.0
109.02876	1.1
109.06506	6.1
109.10144	2.8
111.02671	1.8
111.08061	0.9
116.99475	1.1
117.07006	1.9
119.08564	14.6
120.01143	3.3
120.08086	3.7
121.06506	1.0
121.10133	10.1
122.02695	3.0
122.06030	0.8
123.02672	1.9
123.04402	6.2
123.05477	1.8
123.08054	2.6
123.11671	3.8
124.07610	1.4
125.04176	1.0
125.05987	1.4
127.02132	2.8
127.03884	1.0
129.10324	1.2
131.08514	1.7
133.06447	2.5
133.10121	3.5
135.02637	1.4
135.08015	1.3
135.11687	1.3
136.06184	1.1
137.04166	3.4
137.05913	1.6
137.13242	3.4
139.05768	1.2
141.05467	0.9
144.08055	1.4
145.10121	2.9
146.06052	1.3
147.11667	40.9
148.07535	0.8
149.13257	3.5
151.07520	1.7
153.03654	1.2
157.10081	1.4
165.12744	30.4
169.10384	2.5
175.11153	8.4
176.98915	3.4
179.08865	2.6
183.03090	0.9
185.09236	1.4
189.10217	1.8
193.12216	24.7
197.09969	3.0
203.43533	0.9
205.10399	2.5
210.14612	0.9
211.13303	7.2
223.11499	8.0
225.09433	2.8
233.10086	1.3
243.10417	5.2
250.12613	2.3
251.11028	3.7
254.99702	1.0
268.13632	6.2
269.11932	3.9
273.12155	1.3
286.14679	42.7
287.14102	1.7
297.11484	3.2
314.14117	8.4
315.12576	100.0
316.12964	3.2
322.63751	1.0
332.12207	4.3
332.15253	94.4
333.15054	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	332.152
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77882	0.5
55.01861	1.3
55.05494	2.3
55.66298	0.5
57.03427	0.8
57.07067	9.9
58.99574	1.4
62.00679	0.5
66.62252	0.6
67.05498	6.1
69.07061	5.0
69.87692	0.5
70.02934	0.6
70.06579	1.1
70.22900	2.0
71.04974	1.6
71.08617	1.5
72.08141	0.6
74.00656	12.7
75.01431	2.0
76.02215	3.3
77.03895	0.6
79.05482	15.4
79.95465	0.6
81.07040	9.5
83.04958	1.6
83.08596	0.6
85.06529	12.0
86.09702	1.3
86.99051	0.7
87.08076	0.6
88.03975	4.5
88.99959	0.6
91.05470	14.2
93.06455	0.9
93.07027	13.8
95.04955	2.4
95.08610	3.0
97.06509	4.3
98.98458	8.5
105.07020	17.5
107.04935	3.2
107.08577	6.9
109.06484	3.8
109.10126	1.1
111.02694	1.4
111.04427	1.9
111.08042	0.8
117.07000	1.7
119.04942	1.0
119.08566	11.2
120.01143	7.2
120.08092	1.0
121.06491	2.9
121.10124	11.0
122.02735	0.7
123.04404	6.2
123.05396	1.0
123.08035	1.2
123.11680	1.3
124.05197	3.3
125.05965	7.1
129.06982	2.0
129.10257	0.6
129.99542	1.4
131.08528	1.2
133.06490	3.6
133.10126	2.3
134.35876	0.5
135.08067	1.2
135.11679	1.9
137.04250	2.7
137.05939	5.6
137.09656	1.3
139.07542	0.8
139.11183	0.8
139.41859	0.6
145.10107	1.5
147.08011	1.6
147.11665	39.6
148.12117	0.6
149.09598	2.5
149.13235	11.2
150.24997	0.5
151.07518	3.9
151.11191	1.0
153.05450	2.2
154.06828	1.4
157.10098	2.1
163.11177	1.6
164.07025	0.7
165.07350	0.6
165.12721	6.5
167.06995	2.0
175.11157	17.3
176.00163	0.9
176.98969	0.8
177.12726	4.5
179.08882	1.9
180.62994	0.5
181.10323	0.6
183.04758	0.8
183.13864	0.9
191.10707	1.7
193.12210	25.5
194.13097	3.1
195.13777	13.1
200.07455	0.9
203.07120	0.6
205.10426	0.7
207.11929	0.8
209.11713	2.2
211.13278	16.1
212.14008	0.8
222.13068	1.8
225.09444	1.3
250.12579	0.9
251.11031	1.7
268.13666	4.7
269.11987	1.4
276.23779	0.6
286.14703	43.6
296.13129	1.8
297.11514	1.8
310.62213	0.6
314.14267	3.6
315.12585	21.3
317.09177	0.7
317.69180	0.6
332.15228	100.0
333.15512	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.1522
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.9
55.01838	1.2
55.05493	3.3
56.67313	0.9
57.07061	2.9
58.99577	5.7
65.24856	0.8
67.05167	1.3
67.05495	17.8
67.05855	0.6
69.03405	1.8
69.07061	9.6
70.06577	1.9
70.32996	2.6
71.04981	1.6
71.08607	2.7
73.02905	0.9
73.33517	0.7
74.00653	10.2
76.02211	10.5
79.05045	1.4
79.05478	17.4
80.70413	0.7
81.03399	1.3
81.07043	39.0
83.04967	5.7
83.08623	1.1
85.06534	3.7
86.09664	1.9
86.99046	3.2
88.03982	2.9
91.05466	16.8
93.07031	11.6
95.04956	5.3
95.08590	21.3
97.01115	1.8
97.06523	4.2
98.98451	19.4
100.98875	1.4
105.00080	2.4
105.07014	21.8
107.04951	2.4
107.08577	14.5
109.02878	1.2
109.06496	8.5
109.10136	1.8
111.02645	1.4
111.08076	1.5
119.08560	14.3
120.01160	6.8
120.08096	1.1
121.10117	10.3
122.02715	22.4
123.04411	5.7
123.05476	0.7
123.08052	3.9
123.11689	7.4
125.04179	1.0
125.05959	2.9
129.00035	1.1
129.06978	1.6
131.08585	1.7
133.06451	1.5
133.10110	3.6
135.07999	1.7
137.04182	3.2
137.05959	3.2
137.09610	2.4
137.13226	9.6
145.10086	1.9
147.11664	60.2
149.09598	1.4
149.13240	4.1
151.05754	1.1
151.07527	2.6
157.10088	1.2
159.11386	0.8
165.03654	1.3
165.12733	34.5
170.99594	0.8
171.08536	0.9
174.99164	0.7
175.11130	10.2
176.98944	2.2
190.11086	1.3
193.12218	39.9
195.13805	1.2
199.11630	2.8
203.07045	1.5
205.10281	0.9
207.11934	3.6
208.12250	1.1
211.13249	19.3
223.11487	2.5
231.06319	0.9
252.57790	0.8
268.13638	1.1
269.12027	4.6
286.14688	22.4
287.12952	2.3
297.11401	0.9
314.13840	1.9
315.12543	62.0
316.12875	1.2
332.11908	7.1
332.15222	100.0
333.15283	3.1
335.93637	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.1335
Annotation	5'-O-beta-D-Glucosylpyridoxine
Peak:m/z	Relative Intensity
55.01862	1.3
56.96555	2.3
57.03424	2.8
61.02932	3.9
65.03922	0.8
67.05488	1.7
69.03066	0.7
69.03420	7.3
70.06566	2.0
71.01357	0.7
71.04991	1.0
71.61022	0.6
71.61407	0.8
73.02912	2.7
79.05473	1.0
81.03409	1.8
81.04507	0.6
81.07037	0.9
84.08125	1.3
85.02895	9.7
86.09698	2.4
87.04441	2.4
89.13995	0.5
91.03921	0.6
91.05426	0.5
93.05786	0.9
96.08073	0.6
97.02885	5.1
98.97556	1.7
98.98456	0.8
99.04422	0.8
101.02355	0.6
104.10720	2.6
106.06536	5.4
108.08099	100.0
108.60408	0.6
109.02851	1.4
109.08432	2.6
113.03471	0.7
115.03907	0.7
116.98592	0.8
119.01877	1.5
121.01632	0.7
123.06783	5.0
124.07573	14.5
124.08466	0.8
127.03893	3.5
131.00159	0.5
133.03433	1.7
134.05992	9.3
134.99574	0.6
136.07559	14.2
137.08308	0.6
145.01512	0.6
145.04903	1.3
146.99602	0.5
148.02083	0.9
152.07040	68.3
153.07446	1.5
154.08632	1.5
159.04977	0.6
160.70087	0.5
161.02879	1.1
161.05510	2.4
161.55521	0.6
170.06029	1.9
170.08093	6.8
170.09253	0.9
189.00769	0.6
193.00137	0.7
202.72279	0.5
203.03914	0.5
213.03275	0.7
217.04005	0.5
219.01808	0.6
219.07167	1.0
220.04294	0.9
229.04636	0.8
231.07201	0.6
242.08057	2.1
245.04915	0.5
251.08334	1.4
287.39294	0.5
314.12277	36.6
315.12549	1.8
321.10364	2.8
332.13351	78.2
333.13675	2.4
337.91711	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.1336
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08773	1.3
52.02102	1.2
53.03925	3.0
53.25364	1.2
55.01859	2.1
55.05487	1.6
56.05020	3.2
56.96559	2.1
57.03415	3.5
57.07053	1.3
61.02913	10.5
69.03419	18.5
69.07049	2.6
69.48540	1.3
70.06571	4.6
71.04976	3.0
71.31269	1.9
71.31599	2.1
72.08145	13.7
73.02879	3.1
76.01694	1.7
80.05000	2.1
81.03404	8.3
83.06129	1.5
84.04491	12.3
84.08122	4.7
85.02892	100.0
85.48980	1.2
86.09691	57.6
87.10043	1.6
91.03944	4.8
96.04478	1.7
97.02872	32.5
98.98452	57.3
99.04442	6.6
100.98850	3.3
102.05527	7.4
103.03944	2.2
106.02893	2.3
107.04278	2.2
107.04943	28.4
108.08089	3.9
109.02853	5.5
110.06036	1.7
115.03945	1.9
116.99464	3.6
123.05537	35.2
124.07543	1.8
127.03898	23.7
132.10197	17.7
136.06163	31.1
145.04941	44.7
151.03937	1.5
152.07013	4.3
153.05452	14.1
155.08118	6.7
158.97456	1.3
163.05977	7.1
167.07048	1.4
170.08104	10.2
173.05936	3.6
173.09177	7.3
176.98906	6.8
177.99254	1.6
180.08656	24.3
183.07639	3.0
185.16434	4.0
190.05014	1.6
199.18036	9.6
201.08682	6.4
203.07004	4.0
213.15968	4.5
219.06512	7.1
227.17470	5.7
234.99075	1.8
249.07634	2.0
262.98557	2.0
279.08804	2.1
297.09561	2.4
332.05051	1.6
332.13156	11.3
333.41107	1.6
351.91116	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2835
Annotation	Monopalmitin
Peak:m/z	Relative Intensity
55.05498	13.9
57.03415	6.6
57.07066	100.0
67.05494	26.3
69.07053	13.6
69.72221	1.7
71.08620	75.4
75.04453	4.1
75.44246	1.8
81.07047	36.8
83.08605	26.6
85.06525	2.7
85.10165	37.5
85.20206	1.9
95.08588	51.7
97.10160	15.1
98.98427	6.7
99.11724	3.9
109.10143	25.2
110.49077	2.0
111.11703	5.3
123.11691	9.9
125.13226	3.8
132.54280	1.9
137.13231	8.2
151.14769	3.0
221.22610	2.5
229.23796	1.9
239.23674	32.6
257.24692	7.3
302.67303	1.9
313.27304	84.1
314.27655	2.1
331.34006	7.5
353.37061	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	331.2834
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78922	1.8
55.05507	11.0
57.03409	6.7
57.07065	100.0
59.28528	2.6
67.05491	25.3
69.07055	17.8
70.06576	2.6
71.08218	4.1
71.08616	76.4
75.04490	3.0
81.07047	32.4
83.08605	25.1
85.09695	3.7
85.10165	37.7
93.06964	2.6
95.08591	54.4
97.10155	12.6
98.98441	12.9
103.07520	2.7
109.10146	28.0
111.11675	3.2
123.11690	12.7
123.12449	2.4
125.13302	2.7
128.94576	2.2
137.13222	6.1
161.47311	2.1
221.22565	3.3
239.23642	31.5
257.24701	8.2
313.27301	81.2
314.27591	3.5
331.34012	21.3
332.29279	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	331.2836
Annotation	Monopalmitin
Peak:m/z	Relative Intensity
55.05495	10.6
57.03441	6.9
57.07063	100.0
57.48204	1.2
58.07381	1.4
66.58039	1.3
66.77947	1.2
67.05158	2.4
67.05489	23.3
69.07056	17.2
69.37962	12.8
71.08616	68.1
75.04458	5.3
79.05467	1.6
81.07037	33.1
83.04943	1.6
83.08600	28.7
85.10167	38.2
89.05994	2.4
90.24917	1.3
93.07070	1.8
95.07965	2.4
95.08584	49.3
97.10146	13.1
98.98441	28.9
99.11704	2.0
109.10139	25.1
111.11703	5.6
116.06015	1.5
118.23808	1.2
123.11692	13.9
125.13224	2.2
127.14814	1.4
137.13231	7.2
139.14703	1.3
151.14775	2.0
153.40567	1.1
165.16411	1.5
174.99284	1.3
176.98892	1.9
203.07019	2.6
221.22606	3.3
231.06625	1.3
239.23642	38.2
257.24661	8.9
313.27304	86.3
314.27530	3.5
331.34384	9.0
332.33078	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	331.2838
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77516	1.0
55.05505	15.8
57.03440	8.2
57.07070	100.0
57.23760	1.1
61.71321	1.2
67.05154	2.2
67.05499	25.4
69.07062	16.0
71.04958	1.3
71.08624	71.7
75.04472	3.4
79.05499	1.5
81.07046	38.0
83.04982	7.2
83.08128	2.4
83.08607	29.6
83.09102	1.6
85.10173	39.9
89.06013	1.2
92.03212	1.2
93.07037	2.0
95.08595	58.2
97.10150	13.8
98.98456	81.2
99.08116	1.2
99.11736	4.1
100.98887	1.8
107.04947	5.8
109.10145	31.2
111.11703	5.5
116.99525	4.1
122.02731	2.7
123.11683	14.8
125.13264	4.1
127.14844	2.1
132.08159	1.5
137.13263	7.2
139.14728	1.2
140.01076	1.7
151.14796	1.3
165.16371	1.7
174.99223	5.0
176.98921	7.7
188.04701	4.2
203.07100	5.0
204.07446	1.4
221.22620	4.0
229.24451	1.4
231.06505	3.9
239.23674	36.8
252.99585	2.4
257.24759	5.4
313.27335	79.4
314.21576	2.5
314.27676	2.9
331.31281	12.6
332.32852	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	331.2474
Annotation	9,10-Dihydroxy-12,13-epoxyoctadecanoate
Peak:m/z	Relative Intensity
55.01857	5.3
55.05501	22.4
56.56858	1.9
57.03423	3.1
57.07047	2.0
59.04993	2.0
67.05495	70.5
67.59746	1.8
69.03422	2.8
69.07056	28.4
69.97910	10.5
71.04979	20.9
79.05485	43.7
81.03428	1.8
81.07051	67.7
83.04964	5.8
83.08617	14.6
84.04514	2.6
85.02885	2.6
85.06532	11.4
91.05458	18.9
93.06463	3.5
93.07034	65.3
94.07352	2.3
95.04960	5.8
95.08598	51.4
97.06518	9.7
97.10153	12.7
98.20902	2.4
98.98454	100.0
99.08076	16.6
100.98857	2.4
105.07021	14.2
107.08575	33.9
109.06527	2.4
109.10139	21.2
111.08063	6.2
111.11692	2.8
113.09605	3.6
116.99498	2.3
117.06988	4.6
119.08553	11.1
121.10131	59.7
123.08078	3.1
123.11699	5.3
125.09641	11.3
129.06998	2.5
130.04965	1.8
131.05356	2.3
131.08568	6.9
132.05396	2.0
133.10104	10.0
135.08041	3.6
135.11679	42.7
136.11931	2.9
137.09566	1.8
139.11171	11.0
140.01196	1.6
142.04892	2.4
143.05341	2.4
143.08548	2.9
145.10115	5.7
147.11658	7.4
149.09618	3.6
149.13263	11.6
157.10109	2.6
159.11668	4.7
161.13264	4.3
163.11223	4.0
163.14771	3.3
165.12749	4.0
167.10683	2.4
171.11670	5.7
173.11710	7.3
173.13161	4.0
174.99200	5.7
175.14827	4.0
176.98932	11.9
177.12785	2.9
181.12238	4.7
185.11707	7.4
185.13190	1.9
189.11169	4.4
190.04951	4.4
191.14384	1.8
195.13817	5.1
203.12813	8.0
235.16869	3.8
241.19547	4.9
243.25201	1.7
252.99638	2.6
259.20557	20.4
270.19510	2.1
277.21585	71.0
278.21948	3.9
285.12210	3.4
287.22629	3.2
295.22659	28.8
296.22989	3.3
313.23657	5.0
331.09070	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	331.1384
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	2.8
55.01854	2.9
55.05259	1.1
55.05506	16.8
57.03429	6.0
60.04498	0.9
61.02915	1.6
62.36661	0.6
62.39751	0.6
67.05222	0.5
67.05500	6.3
68.32642	0.7
68.99776	1.5
69.03423	22.8
69.03806	1.2
69.07054	6.6
70.06579	2.2
71.04984	10.3
71.08616	0.8
71.62752	0.8
72.08118	0.9
73.02901	1.2
79.05485	5.5
81.03407	17.1
81.07050	8.9
82.04185	1.2
83.04964	7.2
83.08611	10.0
84.08133	1.8
85.02412	1.0
85.02895	11.8
85.06510	1.5
86.09696	2.3
87.00827	4.9
91.05472	5.0
93.07040	7.7
95.02406	0.5
95.04967	3.4
95.06046	1.3
95.08597	9.2
97.02890	8.2
97.06526	2.4
98.98456	100.0
99.04449	5.0
99.08092	2.2
100.98862	2.0
103.03978	0.8
103.05427	1.1
105.01895	1.2
105.06989	4.3
107.04903	1.0
107.08589	4.5
109.02862	9.4
109.06521	3.1
109.10157	4.1
111.04432	2.2
111.05538	2.0
111.08066	14.2
113.09625	5.3
115.03938	2.8
116.98756	0.7
116.99464	3.2
117.07005	2.2
119.08591	3.0
120.08079	0.9
121.06480	3.1
121.10131	2.0
123.04470	0.8
123.05532	2.0
123.08043	5.3
123.11694	1.5
123.92245	0.6
125.09655	1.7
127.03907	18.1
127.07550	1.3
128.06206	0.7
128.10818	0.7
129.01872	1.3
129.10196	1.5
130.07742	0.9
131.08565	1.1
133.06555	1.4
133.10081	0.9
135.08035	8.0
137.05974	2.3
137.09613	1.7
139.07512	8.9
139.11183	1.3
140.01079	1.0
141.06596	2.8
141.09084	12.7
143.08609	1.7
145.10109	1.9
147.08051	2.0
147.11591	0.7
149.08527	0.7
149.09644	2.6
151.07520	6.1
151.09341	0.6
151.11192	1.2
153.09128	2.3
155.10640	1.7
159.11693	0.9
161.05940	0.7
161.09642	1.1
163.07671	0.7
163.11162	2.1
165.09091	1.7
165.12773	0.9
167.10661	2.0
174.99223	5.0
176.98912	10.9
177.00412	1.1
179.10696	2.0
181.12105	0.7
189.09180	0.8
191.10655	5.6
201.04106	0.9
209.11697	13.0
209.13579	0.8
210.12027	0.6
213.16350	1.0
223.31961	0.7
227.10751	0.7
227.12807	1.7
231.05084	2.1
239.18013	0.8
252.99770	2.5
254.99536	0.8
257.18951	3.6
269.13773	2.1
285.18411	1.6
295.11713	13.2
313.08228	1.6
313.12848	2.0
313.21143	3.2
331.08875	1.1
331.12811	2.5
331.19095	1.0
331.22595	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	331.1205
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.7
53.98302	0.4
55.01860	2.0
55.05510	2.1
55.51606	0.4
56.96545	0.8
57.07069	3.2
58.99567	1.0
67.05497	2.6
69.03398	1.7
69.07054	1.3
69.37143	4.7
70.06571	1.2
71.04963	0.7
72.08133	0.6
75.72720	0.5
77.00584	0.5
79.01282	0.5
79.05470	5.4
81.07038	3.3
83.04964	2.5
84.08101	1.1
85.02882	0.6
85.06536	2.9
86.09709	0.5
86.99049	0.6
90.99992	0.4
91.05470	5.9
93.07022	7.0
95.04967	1.3
95.08582	1.6
97.02890	0.6
97.06527	2.3
97.10111	0.5
98.98447	100.0
100.98867	2.8
103.05467	0.4
105.07014	4.4
107.04932	3.3
107.08578	3.8
109.02876	0.6
109.06510	1.2
109.10154	1.4
116.99464	4.4
117.07004	2.2
119.08543	3.2
121.06490	2.7
121.10116	6.0
123.08085	0.8
123.11771	0.4
125.05968	1.0
127.03899	0.8
128.06137	0.5
129.06999	0.5
131.04924	0.9
131.08530	1.6
133.06445	0.9
133.10126	0.7
135.04399	1.6
135.08083	0.7
135.11639	3.8
137.06029	0.6
137.59880	0.4
140.01044	1.3
143.08606	1.0
145.06470	0.9
145.10112	5.2
147.08003	0.6
147.11678	1.0
149.05927	2.2
149.09547	1.1
151.03868	0.5
153.05437	19.2
155.06976	0.4
155.08522	0.8
157.10098	0.8
163.02138	0.5
163.11157	14.0
167.07138	0.5
169.10095	0.5
173.09650	1.4
174.99202	4.7
175.03917	0.8
176.98889	11.3
179.08578	0.5
183.11609	0.5
187.05783	0.6
188.04686	1.0
191.10632	18.8
192.10977	0.8
193.03282	1.0
193.10002	0.8
193.12222	0.9
197.09663	0.8
197.15869	0.5
203.07042	1.3
209.11710	17.7
210.12128	1.0
211.14853	0.6
223.07928	0.5
231.06528	0.6
239.14297	0.8
243.10532	1.2
247.09627	0.5
249.09508	1.1
249.12953	0.4
252.99660	2.3
254.99405	0.9
257.15466	0.8
267.10501	7.7
267.13586	1.2
277.21628	0.5
285.11533	26.1
285.14731	2.5
286.11823	1.4
295.10272	0.6
303.15848	0.6
313.10999	5.2
313.14307	0.9
313.17792	0.7
329.20050	0.5
331.11993	5.4
331.15628	0.6
331.22794	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1169
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07587	0.8
53.03928	2.1
55.05503	47.9
57.73635	0.8
70.58950	2.4
83.04968	100.0
84.05292	1.2
91.05464	1.3
105.06976	0.8
110.43759	0.8
115.05422	1.3
117.07008	1.8
129.06961	1.2
131.04906	1.1
132.05658	1.0
145.06450	4.2
147.07959	1.1
159.04347	1.6
160.05159	6.3
161.05943	2.8
163.07521	1.9
172.05217	5.3
173.02339	3.6
173.05899	1.1
175.07568	5.8
185.05959	7.5
187.03891	2.5
188.04654	43.9
191.03308	0.8
203.06999	96.8
204.07364	3.0
231.06488	58.1
232.06847	1.7
249.07565	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.3149
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	1.0
57.06813	0.5
57.07068	6.6
58.06577	0.4
62.06098	0.5
67.05476	0.5
69.07059	0.7
70.06579	7.3
71.08620	3.1
71.62895	0.2
71.63396	0.6
81.07035	0.9
83.04949	1.5
83.08607	0.8
84.08125	0.3
85.10168	1.4
87.04433	0.3
88.07616	9.3
91.44011	0.3
93.07056	0.3
95.08604	1.0
97.10172	0.4
98.98448	20.1
100.98853	0.5
102.07578	0.3
102.09161	2.9
105.81087	0.3
106.08649	5.2
109.10126	0.5
112.70641	0.3
116.99466	0.4
118.06539	1.1
120.22085	0.3
121.08849	0.5
132.08067	14.4
133.08943	0.4
140.01108	0.7
144.08072	0.5
145.08836	0.7
146.09619	8.4
146.10747	0.5
147.10432	1.8
158.09598	0.3
160.11188	15.6
161.11635	0.6
174.12718	3.1
174.99214	1.1
176.98929	1.4
188.04640	0.6
188.14311	0.6
202.15891	1.3
203.07034	0.9
216.17471	1.2
218.19066	0.3
230.19060	1.6
231.06511	0.5
232.20500	0.9
239.23610	0.4
244.20589	0.7
253.00008	0.4
258.22205	1.0
270.71164	0.3
286.31189	0.4
312.32486	4.3
313.27322	1.4
329.62244	0.4
330.31589	100.0
330.34045	24.3
331.31424	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	330.3148
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72790	0.2
50.92929	0.2
55.05494	0.8
57.07070	3.3
58.06570	0.2
60.11573	0.2
60.49278	0.2
62.06064	0.4
64.60835	0.2
65.30543	0.2
67.05478	0.4
69.07060	0.3
70.06584	4.0
71.08633	1.5
71.31012	0.2
71.63358	0.4
74.54340	0.2
76.54996	0.2
80.09500	0.2
81.07053	0.3
83.04984	1.1
85.10162	0.7
87.04441	0.3
88.07616	6.2
88.60840	0.3
95.08596	0.3
98.98450	14.3
102.09150	1.1
106.08647	3.3
107.07347	0.3
116.99480	0.6
119.08513	0.2
120.08112	0.3
121.08850	0.7
132.08073	9.4
133.08856	0.4
134.09575	0.3
134.23210	0.2
144.08081	0.6
145.08795	0.4
145.69824	0.2
146.08466	0.5
146.09621	8.2
147.10423	1.9
148.11098	0.3
156.17587	0.2
158.09627	0.5
160.11195	16.5
161.11606	0.5
174.12741	2.9
174.99194	1.0
175.13185	0.3
176.98914	1.3
188.04640	0.7
188.14316	0.8
202.15884	1.1
203.07040	1.0
203.16452	0.2
216.17471	1.3
230.18942	1.6
231.06389	0.3
232.20570	0.7
239.23749	0.2
243.21114	0.2
244.20612	1.2
258.22137	0.9
260.23718	0.6
268.29843	0.3
286.30975	0.4
312.32538	2.1
313.27332	0.4
325.18460	0.3
330.31046	100.0
331.26111	0.3
331.31506	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	330.2634
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.1
53.31051	0.8
55.01855	2.3
55.05257	1.5
55.05502	20.1
57.03423	5.2
57.07056	2.7
59.04993	0.9
65.03918	1.1
67.05494	31.6
69.07054	9.2
69.56965	0.9
70.06594	1.2
70.22397	4.5
71.04989	4.4
71.08606	1.8
79.05474	8.5
79.38661	0.8
81.03391	3.3
81.07039	21.4
83.04474	1.2
83.04970	24.0
83.08589	6.2
85.06532	2.1
87.04434	3.2
91.05464	7.8
93.07017	16.4
95.04935	3.3
95.08593	11.6
97.06503	1.9
97.10146	3.1
98.98450	100.0
99.08066	2.1
100.98899	1.8
105.07029	4.8
105.77992	1.0
107.08579	6.6
109.06490	1.2
109.09444	1.8
109.10142	24.1
111.08043	1.8
111.11666	0.8
116.99488	2.4
117.06981	2.6
118.06512	1.2
119.08565	6.9
121.10116	5.0
123.08044	1.6
123.11735	4.3
125.09565	2.3
129.07008	1.3
133.10094	3.5
135.11690	3.6
137.09628	1.1
139.11148	4.5
140.01018	1.2
140.14296	1.6
141.12738	1.3
147.11641	3.1
149.13223	2.8
151.11118	1.2
155.10648	5.5
159.11682	2.2
161.13176	2.6
165.12685	1.3
171.11702	1.2
173.11717	36.9
173.78888	0.9
174.99149	5.5
175.14764	1.1
176.98871	7.8
177.12741	1.3
185.05949	1.8
188.04665	8.6
189.11156	1.6
193.12193	1.9
195.13766	3.2
199.14906	1.0
201.05405	1.4
203.06995	18.3
211.13254	2.9
231.06439	8.9
241.19460	1.3
249.07410	1.1
250.18587	0.9
252.99629	1.9
253.32208	0.9
259.20648	1.0
260.23709	2.2
270.27625	1.2
277.21588	11.5
278.21863	1.0
295.22629	7.0
301.45911	0.9
330.27237	2.0
330.30063	3.2
330.33652	2.6
331.23917	1.0
335.90390	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.2633
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97952	1.8
54.21251	1.8
55.01855	6.6
55.05506	45.8
57.03438	15.1
57.07059	4.7
59.04998	2.9
67.05495	77.0
69.03398	6.5
69.06713	2.9
69.07058	34.2
70.04067	3.6
70.11187	7.5
71.04974	5.9
71.08623	4.6
79.05485	26.6
81.03400	9.5
81.07049	60.8
83.04974	43.0
83.08611	20.3
85.06509	4.0
87.04453	5.9
91.05470	26.2
93.07030	39.3
95.04961	12.4
95.08033	3.3
95.08591	36.3
97.06521	9.8
97.10162	11.5
97.39251	1.7
98.98454	83.7
99.08054	3.0
101.06001	2.2
105.07003	17.3
107.08579	20.4
109.10143	42.7
111.08073	8.1
111.11697	2.7
113.05992	1.9
113.09686	2.3
116.99451	3.2
117.06963	3.9
119.08560	16.5
121.10133	18.1
123.08027	3.6
123.11708	13.0
125.09604	11.2
129.06955	4.7
131.08543	3.0
133.10094	10.6
135.11652	10.1
137.09576	9.4
139.11151	20.9
140.14308	3.7
143.08527	2.6
147.11670	9.3
149.13210	5.6
151.11159	3.6
153.09036	2.6
153.12744	2.2
155.10611	14.8
157.10104	3.1
161.13222	9.6
163.14781	4.0
165.09006	2.6
165.12712	6.7
171.11641	3.2
172.13326	3.0
173.11725	46.1
173.13124	2.2
174.12045	2.2
174.99229	5.3
175.07663	3.2
175.11086	4.2
175.14795	4.6
176.98907	6.9
188.04620	14.2
188.07037	12.8
189.11185	7.3
193.12193	8.7
202.08601	11.8
203.07031	22.5
203.08867	2.9
207.13768	3.3
211.13293	15.0
216.10199	6.0
221.08015	10.1
221.15273	2.9
222.08488	5.2
230.11710	3.0
231.06503	17.0
231.21104	3.2
232.53218	2.0
238.98563	2.2
241.19510	4.9
249.22104	2.8
259.20532	6.5
277.21570	52.8
278.22028	3.1
294.23993	2.8
295.22629	35.9
330.24231	100.0
330.30249	4.8
330.33502	3.5
331.24588	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	330.2635
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	9.2
55.05253	5.0
55.05500	59.1
56.07628	3.0
57.03432	15.7
57.07054	10.6
57.78535	3.1
66.09547	3.4
66.63999	3.2
67.05492	99.9
69.03416	9.0
69.07058	40.5
70.87970	10.5
71.04973	11.2
71.08610	21.6
79.05111	4.0
79.05486	41.3
81.03391	9.0
81.07043	100.0
81.98195	3.1
83.04967	59.8
83.08605	40.2
85.06518	4.0
87.04434	9.9
88.07562	6.0
91.05462	26.5
93.07026	44.4
95.04956	9.3
95.08586	41.4
97.06492	10.4
97.10152	39.0
98.98450	99.4
99.08079	17.4
101.06011	16.7
101.41267	3.5
102.09206	3.8
105.07011	20.9
107.08559	29.1
109.06543	5.3
109.10136	46.5
111.08053	10.6
117.07047	3.7
119.08578	22.7
121.10115	14.6
123.08030	5.9
123.11681	26.5
125.09607	38.1
131.08585	5.2
133.10097	15.0
135.08057	4.7
135.11661	12.3
137.09589	9.2
137.13272	4.1
139.11151	15.2
145.10072	6.3
147.11647	10.5
149.13220	11.3
151.11139	10.7
153.09056	5.0
153.12744	7.0
155.10660	37.0
161.13213	13.5
165.12723	6.0
173.11710	53.3
173.13144	5.6
174.11967	4.5
174.99229	7.6
175.07521	3.6
175.11211	3.4
175.14751	5.3
176.98898	8.1
179.14291	8.3
185.13165	3.3
188.04665	21.5
189.11186	47.1
189.12759	3.5
193.12186	6.6
196.19305	3.5
199.14893	4.2
203.06975	43.9
211.13205	7.6
213.15788	3.6
231.06479	27.3
241.19403	8.9
249.22005	4.1
256.26212	6.5
259.20575	8.5
265.73373	3.2
277.21576	78.4
278.21793	4.6
295.22607	50.1
330.29980	40.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.1364
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	5.5
55.05503	2.4
57.07067	14.9
58.99586	4.9
67.05493	4.8
69.03410	2.6
69.07059	3.0
69.39145	8.8
70.06569	2.3
71.04993	2.1
72.08138	1.1
74.00652	11.5
75.01425	3.0
76.02219	16.5
79.05485	12.3
81.07057	5.9
83.04972	2.0
84.08131	1.5
85.06527	17.5
86.06039	2.4
86.09730	2.5
86.99061	1.6
88.03942	1.4
91.05471	9.1
92.05804	1.0
93.07033	18.5
94.06559	2.8
94.23545	1.1
95.04953	4.6
95.08608	2.2
97.06517	8.5
98.98450	93.3
100.98901	1.5
103.05481	1.3
105.00076	1.5
105.03374	1.0
105.07014	11.9
107.04939	9.7
107.08576	10.5
109.02895	1.2
109.06517	2.5
110.07162	4.7
111.04457	0.9
111.07477	1.4
116.99474	4.4
117.06982	4.8
119.08556	7.7
121.02912	1.1
121.06519	7.5
121.10125	17.4
122.02740	3.1
122.06010	5.1
122.10457	1.0
123.04453	1.8
123.08071	1.6
125.05975	3.5
127.03947	1.7
131.08563	1.5
132.74313	0.9
133.06462	1.4
133.10110	1.1
135.04390	3.5
135.08060	2.9
135.11664	11.4
137.06001	2.6
141.11665	0.9
143.08510	2.0
145.06480	1.0
145.10091	13.9
147.07994	1.9
147.11633	1.7
149.04802	1.9
149.05969	5.5
149.09622	4.9
151.07568	1.6
152.07043	3.0
153.05444	63.5
154.05782	1.1
160.56625	0.9
161.09775	0.9
163.11154	52.8
164.11536	1.6
165.12903	1.1
173.09634	3.2
174.99236	5.0
175.99605	1.9
176.98915	7.0
177.99574	1.0
181.12225	2.2
191.03464	1.1
191.10638	51.6
192.11070	1.6
193.12234	5.5
197.22330	0.9
206.04524	4.0
207.10152	1.6
208.05196	2.8
209.11697	100.0
210.12042	2.5
211.07561	1.1
229.08659	1.1
238.12469	1.5
239.07141	1.2
239.11067	2.2
250.14349	1.5
252.99736	2.1
257.08011	4.5
266.12097	1.8
267.10529	4.0
269.08182	3.4
284.13104	67.2
285.13272	1.6
302.10321	2.5
312.08716	4.9
312.12347	1.6
313.10959	19.9
315.08600	6.6
330.13736	98.1
330.22256	7.8
331.14035	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	330.1178
Annotation	Lithospermoside
Peak:m/z	Relative Intensity
53.03941	1.0
55.01852	0.5
55.80238	0.5
55.93520	3.3
56.05016	0.5
56.96527	0.5
57.03419	1.2
58.06561	0.6
61.02911	1.6
67.05495	4.5
69.03420	4.8
69.07059	0.7
69.48824	1.1
69.49247	2.5
70.02927	0.6
70.06579	7.4
71.04971	0.5
71.92997	1.0
72.08143	3.3
72.93767	2.4
73.02906	1.2
74.06063	1.8
79.01286	0.5
79.05484	0.7
81.03434	2.2
81.07030	0.7
83.01344	0.4
84.04487	2.1
84.08114	2.9
85.02896	7.8
86.09691	5.7
86.64145	0.5
87.04440	1.2
88.03945	0.7
88.96921	0.4
90.94812	2.8
91.03945	0.6
91.05441	0.5
94.06559	4.5
95.04932	1.2
97.02873	3.0
98.98450	100.0
99.04436	0.6
99.98895	0.5
100.98911	2.0
102.05549	0.7
108.95900	0.7
109.02847	1.0
111.63239	0.4
116.07076	4.7
116.98709	0.6
116.99480	3.8
120.06547	2.2
121.04966	0.5
122.06014	9.4
125.96111	0.5
127.03947	2.0
129.10196	1.1
132.10190	0.6
132.95810	2.8
136.06120	0.4
136.07588	0.6
140.01025	0.8
140.07022	0.9
144.95786	1.9
145.04926	1.2
149.96049	0.6
150.05482	50.9
150.96873	1.7
151.05853	1.3
152.06931	0.5
158.97343	2.3
162.96851	1.7
162.98877	0.5
163.03889	0.6
168.06540	61.2
168.95805	0.6
169.06859	1.4
169.96509	0.8
170.09253	0.6
170.97403	0.5
174.96867	0.7
174.99191	5.9
175.99532	1.3
176.98918	8.8
177.99232	0.7
183.11214	0.8
186.96887	0.9
187.10759	0.8
187.14319	0.5
187.97638	1.0
188.98387	0.6
190.04938	0.9
197.12796	0.7
215.13893	0.9
216.97977	1.3
217.11827	2.0
234.98973	11.2
235.05951	0.5
242.99413	3.9
248.57480	0.5
252.99828	4.2
254.00090	0.9
254.99417	1.0
258.00592	0.9
263.95575	0.5
264.01096	0.5
264.44482	0.4
273.00537	3.9
284.16138	0.5
291.01617	0.9
294.78098	0.4
330.11795	29.7
331.04660	1.2
331.12091	1.7
346.86743	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.2682
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40368	0.5
53.03941	0.6
53.44662	0.5
53.75094	0.5
55.00121	0.6
55.01833	0.7
55.05255	0.9
55.05502	12.2
56.05793	0.7
57.03427	3.2
57.07066	11.3
59.04987	0.5
61.13764	0.5
67.05493	15.6
69.07056	31.9
70.07383	2.4
70.07820	1.7
70.12200	1.7
70.12607	1.1
71.08617	4.9
74.06059	1.6
75.04445	1.0
75.06398	0.6
77.01579	0.6
77.98367	0.5
79.05477	9.3
81.07042	16.4
83.04903	1.7
83.08601	13.1
83.09097	0.7
85.10168	1.4
91.05458	1.6
93.07028	10.5
95.08596	12.8
96.08965	0.5
97.06491	6.7
97.10146	9.2
98.06905	0.5
98.21438	0.6
98.98447	100.0
99.08085	0.6
100.98846	0.9
103.03947	2.7
105.06973	0.7
107.08584	10.0
109.10136	6.6
109.13967	0.5
111.08053	2.1
111.11688	2.3
113.09592	0.6
115.07545	4.6
115.11182	0.9
116.07869	0.6
116.10755	0.6
116.99482	3.0
119.49369	0.5
121.10117	20.3
123.11679	4.8
125.09615	1.7
129.05437	1.1
132.96002	0.6
134.95758	1.6
135.11673	15.7
137.13232	3.6
139.11162	1.2
139.14711	0.5
140.01030	1.2
141.12712	0.6
143.10732	0.6
149.13240	5.8
153.12712	1.0
160.95538	1.6
161.95885	1.3
162.95239	5.6
163.14789	3.0
167.14249	0.7
174.99197	10.8
176.96809	2.7
176.98901	5.9
177.16396	0.8
201.11960	0.6
208.26128	0.6
219.21043	17.7
231.03416	1.5
232.03700	3.2
233.03009	10.4
237.22098	16.3
251.00137	1.6
252.99786	2.3
255.23180	2.5
311.25751	10.1
312.26196	0.6
329.06467	3.6
329.21384	0.7
329.26611	2.9
329.32437	4.5
330.05737	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	329.268
Annotation	2-palmitoleoyl-glycerol
Peak:m/z	Relative Intensity
53.03917	2.1
55.01864	2.5
55.05503	47.2
57.03432	9.5
57.07067	24.9
58.12680	1.9
67.05493	49.2
69.07062	54.5
69.58495	15.0
71.08620	16.1
79.05477	28.2
81.06572	3.6
81.07044	64.4
83.04942	4.2
83.08131	3.1
83.08607	46.3
85.06512	2.3
85.10157	5.4
91.05470	4.1
93.07028	44.2
95.08055	3.0
95.08599	45.2
97.06518	22.5
97.09535	2.3
97.10159	29.7
98.21521	4.0
98.98453	100.0
103.03928	9.1
107.08577	34.7
109.10148	22.0
111.08079	9.8
111.11703	5.8
113.09657	1.9
115.11106	2.4
121.10127	66.6
122.10439	3.4
123.11694	22.5
125.09574	6.1
129.05447	2.7
129.16827	1.7
135.11674	50.5
136.11971	2.3
137.13237	16.6
139.11156	4.7
149.13257	18.4
150.13562	2.5
153.12764	5.5
157.12221	3.7
163.14735	10.4
167.14319	4.2
174.99149	11.4
176.98875	4.3
177.16373	3.9
181.15869	2.6
185.15274	2.3
217.09488	1.7
219.21036	69.5
220.21539	2.2
237.22112	60.4
250.20468	1.8
255.23129	9.4
311.25769	42.6
312.26062	4.0
329.26865	12.3
330.33923	15.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1225
Annotation	Androsin
Peak:m/z	Relative Intensity
50.52760	0.3
52.99778	0.3
53.16721	0.3
55.05490	0.3
56.74483	0.3
57.03416	0.3
67.05497	0.6
68.99780	0.7
69.03412	1.0
69.07046	0.7
69.36668	3.2
70.06579	2.5
72.08168	0.7
73.97852	0.3
76.02214	0.4
79.05473	0.6
81.07039	1.2
84.08128	0.9
85.02905	2.1
86.09689	2.2
91.05453	0.7
93.07022	1.1
95.04893	0.4
97.02866	0.6
97.06509	3.1
98.98450	92.9
100.98872	0.7
103.05464	0.6
105.07021	1.2
107.04934	0.6
109.21102	0.3
116.99483	2.9
119.08550	0.7
121.05646	0.4
121.06485	7.0
121.10107	0.5
122.02075	0.3
122.02724	3.0
125.05986	3.3
127.03911	0.3
127.27010	0.3
129.10193	1.0
132.01117	0.6
136.07561	0.6
137.05956	0.8
140.01048	0.8
145.04999	0.5
147.11668	1.6
149.05960	28.3
150.06329	0.9
167.07011	100.0
168.07362	3.1
174.99202	10.6
175.00377	0.2
175.07524	0.6
176.98891	5.5
179.06946	0.4
187.07501	0.9
191.06978	0.7
209.07983	0.3
216.12344	0.4
244.06302	0.3
250.99945	1.2
252.99709	2.0
262.07425	0.5
269.09152	0.7
283.10767	1.7
301.11893	0.6
311.10059	1.2
329.11240	3.0
329.15344	0.9
340.00143	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.2427
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65327	0.5
53.97576	0.6
55.05504	8.7
56.05021	1.1
56.15136	0.6
56.96550	0.6
57.07063	1.9
63.29982	0.5
68.05009	8.1
69.07053	4.5
69.48948	4.9
75.58303	0.5
78.68192	0.8
81.07036	1.2
83.06099	1.4
83.08607	9.1
84.04491	41.6
85.02898	4.6
86.06092	1.0
89.80843	0.6
95.01299	1.2
95.08589	1.4
96.04478	5.3
97.10153	3.2
98.06032	1.3
98.20714	1.1
98.98450	70.5
101.07123	1.0
102.05563	3.6
110.73656	0.5
111.05560	4.9
114.05511	39.5
116.99472	2.0
130.04977	41.0
140.01074	0.6
142.04976	36.3
143.05258	0.8
156.17464	3.2
174.99194	7.5
176.98906	4.5
183.63127	0.5
194.17360	0.8
194.18988	4.0
198.31877	0.5
222.18478	6.7
239.21118	4.3
240.19609	1.4
251.00003	1.0
252.99739	1.7
265.22656	0.7
268.19040	27.2
271.60529	0.6
276.09549	0.5
285.21683	100.0
286.19635	3.8
295.87415	0.6
307.04904	0.9
311.23206	5.6
327.56122	0.6
329.20856	0.7
329.24326	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	329.1143
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49017	0.2
55.05496	0.3
63.51802	0.3
63.93966	0.3
67.05464	0.3
67.15253	0.2
68.57176	0.2
69.03400	0.9
69.07045	0.3
69.40012	2.5
84.56389	0.3
91.05480	1.0
98.20679	0.5
98.98450	29.2
105.07004	1.3
115.05441	1.2
116.99511	0.7
117.07011	3.5
119.08549	0.4
128.44067	0.3
129.06998	0.5
145.06454	3.9
147.08017	0.7
149.05966	1.0
156.50008	0.3
159.08011	1.0
161.05965	0.6
163.07520	0.6
173.05960	9.7
174.99193	3.4
175.07535	5.8
176.98917	1.3
177.05403	1.4
179.08572	0.5
187.07555	0.7
191.07002	7.2
197.09631	0.3
203.07007	18.7
204.07362	0.9
205.08658	0.7
209.03596	0.3
211.11224	1.4
213.09143	0.3
215.07008	1.1
221.08055	100.0
222.08389	3.9
225.09027	0.4
226.09872	0.4
227.07111	0.7
229.12196	2.6
231.13655	0.3
233.08072	2.2
237.03056	0.5
239.10643	1.7
242.09352	1.1
244.71150	0.3
252.99683	0.5
255.04216	1.4
257.11716	8.3
275.12732	15.1
276.13049	0.8
293.13898	1.8
311.10391	16.1
312.10712	0.9
329.11444	6.5
329.21194	0.3
329.25168	0.3
330.11508	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.2476
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52268	0.9
53.03936	1.6
55.01855	2.0
55.05503	10.3
57.03413	3.6
61.31623	0.9
65.03946	1.2
67.05493	21.3
69.03409	2.7
69.07062	16.6
70.06584	3.1
70.68539	2.1
71.04972	2.9
79.05482	12.3
81.03421	3.0
81.07046	32.0
83.04976	4.0
83.08598	7.3
85.06518	2.3
86.06085	1.1
87.04449	4.8
87.78584	0.9
91.05468	12.3
93.07031	17.1
94.83123	1.1
95.04958	4.7
95.08585	13.1
97.06510	5.3
97.10159	2.2
98.06049	12.2
98.09671	2.2
98.98451	100.0
99.08045	1.1
105.07024	13.2
107.04962	1.8
107.08572	9.5
107.22775	0.9
109.06518	4.0
109.10153	4.3
111.08075	2.5
116.99490	2.6
117.07002	3.2
119.08556	11.8
121.06472	1.6
121.10112	7.3
123.08051	4.1
123.11700	3.3
125.09609	2.8
129.06972	1.8
131.08496	4.6
133.10095	8.5
135.07996	1.6
135.11656	8.5
137.05971	1.8
137.09601	2.3
143.08551	1.7
145.10086	4.6
147.11665	7.4
149.09608	2.2
149.13243	4.0
157.10114	1.5
159.11693	5.2
161.13252	1.2
163.11137	2.7
165.12778	1.7
173.13246	2.9
174.99200	13.7
175.11162	1.3
176.98936	5.7
177.12669	1.7
181.12242	8.2
187.14737	1.1
189.11217	1.8
195.13766	6.1
199.13281	1.7
211.13124	1.3
229.19536	1.1
239.17883	1.8
250.99831	1.0
252.99693	2.1
257.19101	2.7
266.24808	1.4
275.19986	17.6
284.25806	20.0
292.22711	1.0
293.21069	3.5
328.18735	2.9
328.25031	1.8
328.28360	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	328.2842
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65503	0.6
54.36253	0.6
55.01860	0.9
55.05503	9.9
57.07065	2.3
66.26378	0.6
67.05505	4.5
68.05005	1.4
69.03413	2.7
69.07061	15.4
69.53093	5.3
70.06584	9.8
71.08620	1.1
72.08146	3.7
79.05482	4.2
81.07045	5.6
83.08604	8.0
84.04490	3.4
84.08110	0.7
86.06050	10.2
86.09721	1.2
87.04457	13.6
91.05458	3.0
93.07025	2.6
95.04972	0.8
95.08597	3.9
96.04453	1.1
97.10162	7.1
98.06044	51.6
98.21460	1.2
98.98454	97.8
100.98905	0.8
105.07018	2.7
107.04926	0.7
107.08585	7.1
107.55695	0.6
109.10166	1.9
114.05498	2.1
116.99506	3.6
117.06978	1.2
119.08568	2.2
121.10101	1.7
123.08109	0.8
125.09628	4.6
130.04987	1.0
133.06528	0.7
133.10094	2.1
140.01082	1.0
142.04951	0.8
145.10123	1.4
147.11679	1.4
149.09598	2.6
157.10146	0.8
159.11732	1.2
161.13203	1.0
163.11142	0.9
171.07793	0.7
174.99207	10.3
175.99541	1.2
176.98923	5.1
179.14313	0.9
189.11201	8.9
194.58426	0.7
198.22163	7.6
238.25273	9.2
250.99942	1.1
252.99687	2.2
257.18942	1.1
266.24753	6.8
275.20041	13.3
276.20346	1.2
284.25806	100.0
285.26157	3.9
293.21075	2.3
310.23654	1.0
320.91180	0.7
328.24725	5.5
328.28357	31.9
329.28796	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.2475
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03917	1.9
55.01852	4.0
55.05260	2.7
55.05499	39.8
57.03419	1.6
59.04985	2.6
65.94594	1.5
67.05491	15.0
69.03403	5.7
69.07051	15.9
79.05484	21.3
81.07048	15.0
83.04951	4.5
83.08611	33.5
85.06531	2.1
91.05469	9.9
93.07013	10.2
95.08584	7.2
97.09529	3.3
97.10153	66.7
98.20705	3.9
98.98442	62.7
98.98911	1.1
98.99105	2.1
105.07027	9.4
107.04911	1.8
107.08570	72.6
109.10132	2.5
117.06992	3.2
119.08570	4.8
121.10108	2.4
125.08745	3.5
125.09612	57.8
131.08508	4.9
133.10097	5.9
135.08041	5.3
143.10716	3.2
145.10065	6.1
147.11650	6.7
153.09068	2.9
161.13190	3.0
171.10120	6.5
173.13219	1.8
174.99156	7.0
176.28246	1.6
181.12151	1.9
189.11185	100.0
207.62254	2.1
239.17950	2.4
257.18884	7.2
275.20004	78.4
276.20352	3.1
284.25864	3.5
293.21066	8.5
328.34720	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.2475
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49889	0.5
53.03938	0.6
55.05505	3.5
57.03427	1.6
67.05490	6.1
69.07051	1.9
70.66463	0.6
70.66814	1.7
71.04984	2.3
77.01587	0.8
79.05485	7.3
81.07042	5.8
83.04945	1.1
83.08601	2.1
84.08119	1.3
85.06521	0.7
91.04933	1.1
91.05464	7.4
93.07027	12.0
95.04963	1.7
95.08588	5.0
97.06545	0.9
97.10143	1.5
98.98450	100.0
105.07010	7.0
107.08573	7.0
109.06506	0.7
109.10144	1.2
113.69526	0.6
115.62919	0.7
116.99505	2.8
117.07012	1.9
119.08575	5.8
121.10151	2.4
123.08074	0.9
127.37880	0.6
129.07013	1.7
131.08542	2.9
133.10089	2.3
135.08008	1.0
140.01033	1.8
143.04460	0.7
143.08553	1.8
145.10127	2.2
147.11668	1.9
149.09563	0.9
157.10114	0.8
159.11638	3.1
161.13225	1.6
163.11174	0.9
165.74277	0.6
173.11777	0.7
173.13277	1.0
174.99197	11.4
175.99579	1.0
176.98897	5.3
185.13287	2.4
187.14748	0.6
189.11246	0.8
190.44905	0.7
203.14313	1.8
221.08107	0.8
221.15390	4.0
235.16917	2.3
239.17770	0.9
251.00078	1.5
251.02667	0.7
252.99605	1.6
257.18991	1.6
270.24182	1.1
275.20047	8.2
275.73169	0.6
284.25833	1.2
287.12802	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.2476
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51918	0.8
53.22370	0.9
53.99836	0.8
55.01852	1.4
55.05500	11.3
57.03411	2.1
58.49908	0.9
67.05494	23.3
69.07059	16.2
71.04989	2.5
71.29118	1.9
72.31182	0.9
79.05486	13.1
81.03388	1.2
81.07045	45.2
83.04958	2.7
83.08612	7.6
84.04501	3.7
85.06538	1.5
87.04488	0.9
91.05469	11.3
93.07029	15.7
95.04946	3.5
95.08598	14.5
97.06512	4.5
97.10152	5.5
98.98454	100.0
99.08094	2.5
105.07014	9.9
107.04961	1.7
107.08581	12.7
109.06522	2.7
109.10142	8.5
111.05549	1.2
111.08064	2.8
114.05531	3.5
116.99511	2.2
117.07009	4.0
119.08576	9.9
119.49854	0.8
120.23563	1.0
121.06509	1.7
121.10123	7.1
123.08060	2.0
123.11709	3.0
125.09621	4.5
130.04997	3.3
131.08534	5.5
133.10121	12.7
135.08035	1.9
135.11653	6.0
137.09572	1.4
139.11162	1.4
142.05016	2.4
145.10060	4.9
147.08052	0.9
147.11694	5.7
149.09592	6.5
149.13239	12.0
151.11183	2.3
159.11665	7.0
161.13228	1.7
163.11162	2.2
165.12730	1.1
171.11708	1.0
173.11728	3.9
173.13301	2.6
174.99213	11.0
176.98940	4.6
177.12759	2.8
183.11719	1.1
187.11171	1.1
187.14732	1.3
189.11261	4.3
189.12683	1.2
195.13792	23.1
195.15477	1.8
197.13240	1.4
207.13763	1.2
213.14804	13.0
229.19489	2.1
239.17947	3.1
247.20618	1.6
252.99699	2.9
257.18900	5.3
265.21924	1.1
268.19083	2.1
275.20026	49.7
276.20435	1.4
285.21683	8.9
293.21054	12.0
328.24890	11.3
329.07800	1.2
331.82712	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.1962
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95544	0.3
55.01863	0.3
55.05499	0.9
55.48343	0.3
56.05028	0.6
57.03428	0.9
58.06597	0.4
59.04993	15.9
60.04535	0.5
61.02930	0.5
65.28851	0.4
67.05498	0.3
69.03419	1.7
69.07043	0.5
69.81389	1.3
69.81803	0.7
70.06581	6.1
71.04956	0.4
72.08147	7.4
72.20801	0.3
73.06547	48.9
74.06072	0.4
74.06852	0.6
76.94973	0.3
79.05462	0.5
81.03413	0.9
84.04525	0.5
84.08123	2.2
85.02898	4.8
85.06515	0.3
86.09694	8.5
89.91646	0.3
91.05486	0.7
93.06991	0.5
97.02910	1.5
97.06527	0.3
98.98454	100.0
99.04448	0.4
100.98869	0.4
102.05518	0.4
103.05454	0.6
109.02872	0.8
110.07163	1.7
116.07072	6.2
116.99487	4.1
117.09109	3.5
117.66251	0.3
119.08602	0.3
120.04429	0.3
120.08099	4.2
121.06428	0.4
121.08422	0.4
122.06903	0.3
127.03910	0.8
129.10223	1.1
130.09755	0.3
131.10651	4.8
136.07549	0.5
137.05942	0.7
140.01070	0.5
145.04950	0.7
148.07550	0.3
149.06017	0.3
149.11714	29.6
150.12042	0.7
174.99211	12.1
175.99527	0.6
176.98874	5.0
182.08018	0.4
185.16481	3.0
187.14357	0.6
191.16714	0.3
195.08688	0.4
201.12311	0.7
213.15965	1.5
219.14955	0.4
250.99988	1.3
252.00168	0.4
252.99614	3.1
268.91360	0.3
297.91208	0.3
328.10358	0.4
328.15155	1.0
329.15051	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94425	0.3
53.03928	0.3
55.01854	0.4
55.05496	2.9
56.05032	0.6
57.05794	0.6
58.06607	0.3
61.02897	0.3
62.12682	0.3
69.03407	1.1
69.07053	0.9
69.91385	0.6
69.91781	1.1
70.06581	19.1
71.04993	0.4
71.06908	0.3
72.08143	34.1
73.06538	1.5
73.08469	0.6
74.06047	0.3
79.05476	0.9
81.03401	1.0
81.07056	0.5
83.04964	0.3
84.08135	5.2
85.02868	1.3
85.06550	0.3
85.08442	0.6
86.09690	35.4
87.10057	0.3
88.03963	0.7
91.05455	0.4
93.07011	0.7
95.04993	0.3
97.02834	0.5
97.06506	0.3
98.06894	0.4
98.98447	100.0
99.05540	0.4
100.98838	0.7
103.05440	0.4
109.02834	0.5
110.03174	0.4
110.07157	0.5
116.07071	48.9
116.99483	4.3
117.03452	0.3
117.07411	0.4
120.08079	1.2
121.06480	1.3
122.06850	0.4
127.03867	0.6
127.12304	0.7
129.10211	1.3
133.02837	0.5
136.07556	0.4
136.08507	0.4
137.05963	1.4
138.06348	0.3
138.32390	0.3
140.01065	0.5
142.08620	0.4
147.04343	0.4
149.05998	0.4
149.11745	0.6
156.10199	0.7
167.06810	0.4
174.99197	11.2
175.07550	0.3
175.99533	0.9
176.98888	4.5
179.03365	7.9
180.03706	3.2
183.11319	0.3
185.16464	16.4
195.11218	0.8
201.12315	2.8
206.08871	0.5
213.15942	12.0
213.93239	0.3
215.13884	0.7
229.11812	1.3
229.15454	1.8
250.99908	1.4
252.00333	0.3
252.99751	1.7
283.09839	0.4
284.15964	0.4
328.11044	0.3
340.84436	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.1208
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.4
55.01855	1.3
55.05496	1.1
56.05020	0.3
57.03421	0.3
58.99588	0.3
62.62354	0.2
67.05487	1.9
69.03419	0.4
69.07047	1.1
69.14011	0.2
70.06570	0.8
70.75196	0.3
70.75536	0.6
71.04977	1.5
72.08147	0.3
76.02218	1.4
77.01555	0.2
77.03880	0.2
79.05481	3.3
80.97367	0.2
81.07046	2.7
83.04972	0.6
83.06094	2.2
84.08130	0.4
85.02888	0.4
86.09679	0.6
88.03972	0.3
91.05462	7.3
93.04519	1.6
93.07031	3.8
95.04955	1.5
95.06076	3.3
95.08590	1.6
97.06521	0.2
98.98450	60.6
99.98862	0.2
100.98882	0.3
105.00084	0.5
105.03368	0.7
105.07019	4.4
107.04906	0.8
107.08580	0.7
109.06504	1.1
109.10127	0.7
110.07150	25.8
111.05544	0.5
112.08729	0.8
116.99493	2.4
117.07005	2.0
119.04923	1.4
119.08563	8.4
121.06523	1.7
121.10102	0.9
122.02710	5.8
123.04398	2.6
123.08015	0.4
128.06221	1.0
129.06987	0.5
130.07777	0.4
131.08546	0.7
132.05693	0.3
133.06474	3.8
133.10101	3.7
135.08055	0.2
137.05952	1.3
137.09579	0.9
140.01033	0.5
143.08530	1.6
145.10094	0.9
146.07245	0.7
147.04373	0.8
147.08026	2.0
151.03867	0.3
151.11176	1.7
153.06863	0.3
156.07658	4.3
161.09593	6.7
163.07532	0.4
163.11165	1.1
165.05453	4.7
165.09084	6.2
171.08034	1.0
174.99197	7.6
175.00650	0.5
175.99539	0.6
176.98900	2.6
177.05458	0.3
177.09059	0.3
178.06216	0.6
179.10645	2.5
189.07361	0.4
189.09082	9.7
207.10132	100.0
208.10431	1.9
219.18526	1.7
225.11108	0.7
246.19618	0.6
248.12787	0.6
250.99965	0.8
252.00237	0.3
252.99623	1.6
264.20630	2.3
265.08954	0.7
282.11533	8.6
282.21732	3.4
283.19934	0.3
284.23236	0.3
310.21198	3.4
310.84763	0.3
311.09512	0.9
328.12073	23.3
328.22250	27.6
329.12500	0.4
346.07773	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2524
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12729	2.0
52.79679	2.0
55.01850	2.4
55.05500	28.4
57.03429	12.8
57.07065	19.0
67.05494	93.8
67.95607	1.9
69.07053	38.7
70.52434	5.7
71.04973	3.7
71.08598	6.4
79.05466	25.7
80.15691	1.9
81.07040	100.0
83.04977	4.5
83.08612	24.3
85.06516	5.2
85.10175	3.5
91.05460	22.2
93.07023	31.1
95.04933	2.6
95.08591	96.9
97.06502	9.7
97.10149	12.9
98.98449	68.0
99.08060	7.9
103.03915	4.5
105.07002	14.9
107.08585	21.3
109.06458	2.7
109.10120	38.9
111.08041	3.6
111.11676	3.8
113.09612	7.2
118.66824	2.1
119.08571	23.8
121.10120	31.5
123.11670	22.0
125.13255	3.5
127.11150	5.9
129.05467	5.0
133.10110	26.1
135.11662	25.9
137.09593	2.6
137.13220	22.9
139.11174	2.9
147.11652	15.5
149.13254	7.3
151.11159	2.3
151.14781	12.0
153.12781	2.9
161.13239	23.9
165.12662	3.0
174.99188	9.3
175.14757	7.2
189.16374	4.8
191.80730	2.2
217.19479	83.9
235.20531	59.6
235.22356	1.7
309.24155	31.1
327.25208	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	327.2522
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.8
55.01850	1.3
55.05253	0.5
55.05499	6.7
57.03427	4.0
57.07055	1.6
67.05492	10.7
69.03402	0.4
69.07054	11.8
71.04969	1.1
71.08611	0.5
71.09108	0.6
79.05476	4.4
81.03348	0.4
81.07038	12.4
83.04951	0.8
83.08605	4.4
85.02898	0.4
85.06522	0.6
85.10144	0.4
91.05464	3.8
93.07021	4.5
95.04963	0.7
95.08591	11.0
97.06513	1.5
97.10168	1.7
97.11230	0.3
98.98445	100.0
99.08099	0.7
103.03922	2.7
105.07007	2.8
107.08572	2.6
109.06496	0.4
109.10138	4.3
111.08038	0.8
111.11671	0.6
113.09622	0.4
116.99478	2.9
119.08566	2.5
121.10118	2.3
123.08040	0.8
123.10858	0.4
123.11652	1.9
125.09607	0.7
127.07417	0.3
129.05434	1.2
133.10085	3.0
135.11646	2.4
137.05943	0.9
137.09589	0.8
137.13223	1.1
139.11151	0.5
140.01044	0.8
147.11639	2.0
149.09583	0.6
149.13260	0.6
151.07527	0.9
151.11186	0.6
151.14799	1.3
161.13226	1.8
163.11096	0.6
174.99191	15.0
175.14851	0.7
175.95236	0.5
175.99551	0.5
179.14279	0.6
204.59557	0.4
207.10149	0.4
217.19446	3.7
217.80005	0.4
235.03426	0.4
235.20541	4.6
250.99956	3.1
254.47827	0.5
263.07602	1.0
275.19949	2.4
293.21072	0.7
297.06540	0.4
305.08676	0.4
309.24139	3.3
320.99875	0.4
327.07913	0.4
327.25247	19.8
328.25635	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2312
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	5.3
55.01855	2.0
55.05503	10.5
57.03425	2.0
57.07060	4.1
57.56255	1.4
58.24575	1.6
59.04987	1.6
65.03918	1.9
67.05491	17.5
67.05828	2.2
69.03427	2.1
69.07043	11.5
69.42102	6.4
69.42529	9.7
79.05480	15.6
81.03394	5.0
81.07041	21.7
83.08598	3.6
85.06524	3.5
85.96175	1.5
91.05462	26.0
93.07022	53.2
95.04949	61.0
95.08585	33.6
97.06495	16.4
98.98442	100.0
103.05424	2.0
105.04483	2.0
105.07008	37.8
107.04941	2.8
107.08573	29.5
109.06501	8.6
109.10105	14.7
115.05451	1.8
116.06260	1.9
117.06990	14.3
119.08556	36.8
121.06520	10.0
121.10123	22.7
121.53156	1.6
123.08077	9.2
123.11665	8.1
128.06241	2.1
129.06956	6.0
130.07722	3.1
131.08553	18.2
133.06499	2.3
133.10107	31.1
135.08017	6.1
135.11662	9.0
137.09557	3.2
141.06969	3.0
142.07787	6.9
143.08549	10.5
144.09384	3.8
145.10089	28.2
147.08028	2.9
147.11662	12.9
149.09593	4.4
149.13242	2.5
152.06161	10.1
153.06961	7.5
155.08559	3.8
156.09351	3.6
157.10094	19.8
158.10918	2.9
158.19043	1.7
159.08070	2.4
159.11664	28.4
161.09567	9.0
161.13229	4.1
163.11159	1.8
167.08597	3.4
168.05692	2.9
169.10083	11.4
170.10838	3.8
171.07994	2.7
171.11655	9.5
172.12379	1.9
173.13194	9.6
174.99205	15.2
175.14786	15.2
179.08548	2.2
181.10118	4.2
182.10944	2.4
183.11655	5.8
185.13257	4.8
187.11185	8.3
187.14847	11.7
195.11731	4.1
197.13197	5.9
199.14752	9.6
201.16324	4.2
204.74789	1.7
205.15829	3.1
207.11504	1.7
209.13257	5.7
210.13872	2.2
211.14745	3.7
213.16370	2.5
215.14320	2.1
217.15797	3.0
221.13228	2.2
223.14690	2.6
225.16345	3.7
227.14279	2.9
228.09253	3.4
229.10136	2.9
233.03462	11.5
235.14856	2.5
239.14308	2.7
239.17972	2.6
250.99965	3.4
251.04648	6.7
253.15877	3.1
265.19412	1.9
281.22543	2.3
291.20908	2.2
308.42606	1.9
309.22028	6.9
327.07742	48.2
327.23135	11.9
327.30862	4.0
328.08099	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1587
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02412	0.4
53.03940	1.6
55.01874	0.9
55.05519	1.1
56.00841	0.3
56.05038	0.6
57.03442	0.5
60.48821	0.3
61.01161	0.4
62.47401	0.3
65.03960	0.5
67.05495	10.1
69.03425	2.2
69.07066	0.5
69.67793	2.6
70.06591	1.1
71.04991	0.9
72.08181	0.4
77.01595	0.5
79.05480	3.2
81.03407	27.0
81.07045	5.5
82.03768	0.5
84.08132	4.7
85.02908	1.4
86.09698	0.9
91.05470	5.4
93.07033	2.3
94.04176	2.3
95.04961	2.2
95.08602	3.2
97.02943	0.5
98.98453	73.0
99.04448	1.4
99.08093	0.4
103.05455	15.2
104.05305	0.5
105.07016	8.4
107.04934	2.5
107.08581	1.0
109.02866	24.8
109.06473	2.8
109.10144	18.0
109.10909	0.8
115.05435	1.5
116.99457	2.2
117.07011	2.0
119.04910	1.2
119.08565	2.2
120.05735	0.6
120.07226	0.6
120.08086	11.7
120.08920	0.7
121.06482	5.5
121.08406	1.1
121.10134	0.4
122.03640	6.7
123.08037	1.1
125.05931	0.6
127.03927	1.6
128.06181	0.7
129.06969	1.0
129.10229	3.9
130.10565	0.5
131.04912	19.3
132.05164	0.5
133.06473	33.1
134.06789	0.6
135.08034	9.9
136.05162	0.4
137.05960	100.0
137.09587	34.2
138.06316	2.3
138.09909	1.1
143.04903	0.8
143.08592	0.5
145.04901	0.3
145.05322	0.6
145.06454	6.7
145.10133	0.4
147.08063	2.5
149.05983	2.0
151.07520	11.7
155.10660	1.8
157.06464	2.5
159.08055	0.4
160.05141	0.6
161.05945	0.5
162.06700	0.7
163.07523	52.7
164.07814	1.4
164.09224	0.6
165.09100	23.0
166.03221	0.4
166.09488	0.6
171.08017	1.7
174.99203	11.5
175.07529	3.8
177.09033	1.5
183.10080	1.5
187.07460	1.4
189.09079	2.8
191.10648	0.5
201.11166	1.9
202.07758	0.4
203.10323	1.7
207.07834	0.5
209.09201	0.5
217.10014	0.8
220.08664	1.0
226.11758	0.9
235.11180	1.8
244.12761	0.4
245.09435	1.2
248.08174	0.5
251.00027	2.9
260.19547	0.4
261.04175	0.3
263.10648	4.0
291.12082	0.7
295.13245	14.3
296.13492	0.6
306.76669	0.4
309.13275	3.1
312.13196	0.4
327.14487	18.3
328.14697	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1435
Annotation	Hinokitiol glucoside
Peak:m/z	Relative Intensity
51.02369	0.5
53.03935	2.4
54.50356	0.4
55.01865	1.3
55.05502	2.3
56.05019	0.4
57.03426	1.4
65.03938	0.8
66.04710	0.3
67.05492	19.6
69.03414	5.1
69.07065	1.2
70.06586	1.3
71.04989	1.6
71.61704	0.3
71.62134	0.4
72.08141	0.9
77.01568	0.7
79.05482	3.8
81.03403	58.8
81.07040	12.2
82.03735	0.8
83.04958	0.7
84.08124	1.4
85.02884	2.1
86.09696	0.9
91.05466	5.1
93.07026	3.0
94.04185	1.6
95.04946	3.9
95.08588	6.6
97.02905	0.4
97.06506	0.5
98.98447	100.0
99.04438	2.4
99.08086	0.5
103.04770	0.6
103.05447	10.6
105.07013	6.4
107.04918	2.4
107.08583	2.2
109.02861	58.2
109.06496	3.7
109.10135	41.0
110.03188	1.0
110.10454	0.7
111.04436	0.5
115.05428	0.8
116.99478	3.1
117.07021	1.8
119.04940	0.6
119.08560	2.6
120.05700	0.3
120.08086	2.8
121.06477	4.0
121.10142	0.6
122.03635	4.5
123.08050	1.2
125.05950	0.7
127.03899	3.1
127.07501	0.4
128.06169	0.8
129.06966	0.8
129.10193	1.0
131.04910	12.9
133.06468	23.9
134.06816	0.5
135.08031	7.2
136.05147	0.4
136.08398	0.3
137.05954	73.1
137.09586	73.0
137.10362	1.5
138.06281	1.6
138.09923	2.8
138.65939	0.3
140.00990	0.8
143.04889	1.1
143.08586	0.6
145.04874	0.5
145.05272	0.4
145.06450	5.2
145.10107	0.3
147.08005	2.0
147.69119	0.3
148.02132	0.8
149.05959	1.6
151.07523	9.5
155.10648	5.1
157.06421	2.0
159.07967	0.4
160.05135	0.4
161.05946	0.6
162.06741	0.6
163.07512	34.1
164.07823	1.1
164.09158	0.5
165.09084	51.9
166.03163	1.1
166.09447	2.0
171.07977	1.7
174.06816	0.5
174.99199	16.6
175.07489	2.2
177.09094	1.0
179.03371	0.4
183.08742	0.4
183.10159	3.5
187.07437	1.0
189.09067	2.1
201.11153	3.7
203.10622	0.9
213.07437	0.7
217.10016	0.4
220.08788	0.6
229.62697	0.3
235.11035	1.4
245.09514	1.0
248.08073	0.4
250.99983	3.1
263.10641	3.1
281.13699	0.3
282.77695	0.4
291.12204	0.9
295.10083	0.6
295.13211	9.1
296.13358	0.8
309.13312	7.0
312.13162	0.4
327.14218	42.8
328.14673	2.6
343.87308	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.0667
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53859	1.0
55.01854	1.7
56.47205	1.0
56.96548	1.5
57.03432	6.7
61.02914	1.2
67.20309	0.8
69.03413	3.4
70.02399	4.6
70.02938	8.5
70.06573	2.9
71.01347	2.1
73.02882	2.6
82.06564	3.6
82.14903	0.8
82.99836	1.8
84.08134	1.9
85.02895	4.5
86.09708	5.9
87.10071	1.0
93.48592	1.0
94.99871	1.1
97.02868	2.4
98.98445	33.2
101.00849	8.0
103.03925	1.0
110.07125	1.1
113.00834	6.3
113.03469	14.8
115.03911	1.5
116.99480	1.7
117.69986	1.0
119.01896	28.3
120.01974	1.3
128.91087	1.0
131.01886	27.2
132.01984	1.7
132.10205	1.0
133.03407	1.7
133.04944	3.4
137.02946	7.3
143.01878	4.4
145.03452	1.6
149.02942	3.1
155.01862	9.8
157.03435	8.2
161.02930	16.3
162.03169	1.2
166.07152	2.0
167.01900	2.0
171.02473	21.2
173.01466	0.8
173.02917	18.6
173.04269	1.5
174.03101	0.9
174.99214	8.9
175.04509	6.4
182.02948	2.2
185.02881	14.6
185.04303	1.1
189.03535	100.0
190.03589	4.8
191.04036	2.9
195.02481	5.7
200.03865	1.1
207.02409	5.8
212.05145	1.1
213.03528	61.2
214.03670	4.9
215.03799	4.6
221.07677	0.9
225.03523	29.9
226.03749	3.4
227.05089	6.9
231.04604	50.0
232.04700	5.0
232.96469	1.8
233.05028	22.4
234.05247	1.9
236.05099	2.0
237.03423	5.6
238.05783	1.0
243.04622	10.7
244.04773	1.1
245.06113	1.9
247.02812	1.2
249.03528	3.1
251.00003	2.0
255.04579	13.9
256.06741	1.5
259.02911	1.0
267.04605	3.7
285.05627	3.5
303.06693	4.4
304.06873	1.3
304.17859	3.3
327.06696	80.8
328.06839	7.1
345.07733	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	327.1221
Annotation	Egonol
Peak:m/z	Relative Intensity
51.69703	0.3
53.03933	0.4
55.01617	0.5
55.01865	6.8
55.05495	0.7
62.86792	0.3
65.03922	4.5
67.05486	1.1
69.03396	0.4
69.07056	0.4
69.78416	2.3
70.06557	0.7
71.04997	0.3
77.33403	0.3
79.05479	1.6
81.03383	1.1
81.07033	1.4
83.04942	1.7
83.08608	0.6
85.06486	0.3
86.67107	0.3
89.03879	0.5
91.05465	3.5
93.03407	2.9
93.07023	1.4
94.04148	1.4
95.04942	1.6
95.08582	0.8
98.21445	0.4
98.98447	100.0
100.11217	0.7
103.05447	1.1
104.07807	0.3
105.07010	1.2
107.04933	1.7
107.08559	0.7
109.06490	1.2
109.10149	0.4
110.03629	0.8
110.07159	0.8
111.03675	0.7
111.04421	9.8
115.05439	7.0
116.99483	3.5
117.03338	0.5
117.06998	1.5
119.04899	0.9
119.08562	0.6
121.02817	0.5
121.06464	1.5
122.03631	4.0
123.04410	1.3
125.05972	7.0
129.06998	0.7
131.04893	2.0
131.08557	0.4
132.01140	0.5
132.05701	0.8
133.02834	0.7
133.06464	0.6
134.03645	0.6
135.04366	0.7
135.11679	0.6
136.45619	0.4
137.05951	33.6
138.06320	0.5
140.01079	0.5
141.06964	0.3
143.04878	6.1
143.05934	0.5
144.05684	0.8
145.02739	0.7
145.06467	1.2
145.10132	0.6
147.04347	0.9
147.08049	2.3
149.05977	2.2
149.09673	0.4
150.31656	0.4
151.03914	2.3
151.07536	0.4
152.06117	0.5
153.05446	7.2
153.06798	0.7
153.09122	0.3
159.04330	0.4
160.05164	3.7
161.05960	1.4
163.03862	1.0
163.07440	0.5
163.11115	0.6
164.04222	1.0
165.06973	0.9
167.06982	0.3
167.08449	0.4
169.06444	0.5
171.04410	3.3
171.08002	0.6
172.05177	0.4
174.06815	0.6
174.99197	17.3
175.07518	8.4
177.05438	5.7
177.06906	0.3
178.07739	3.0
179.03329	0.5
179.08531	3.5
181.06476	1.4
182.15421	0.5
185.06013	0.5
188.04594	0.8
189.06982	3.8
189.09058	1.2
191.07030	0.5
191.08557	0.5
193.06483	0.5
194.07274	0.6
195.08031	1.2
197.05943	0.5
203.06992	10.7
205.06465	1.9
205.08531	1.1
206.07243	3.5
206.08934	1.3
207.08041	6.2
207.09926	0.5
208.08688	0.4
209.05977	0.3
210.99054	0.3
211.07555	0.9
216.01854	0.3
217.06473	4.1
218.07281	1.7
219.07921	0.5
221.05936	0.7
221.09604	1.2
222.06653	0.7
223.07487	2.7
224.08302	0.9
225.05443	0.5
225.09100	0.6
227.06891	0.4
231.06340	0.7
231.79955	0.4
232.06709	0.5
233.05943	0.9
234.06703	8.9
235.07449	5.0
235.13176	1.9
236.08241	0.7
237.09050	0.9
239.10690	0.9
240.07738	0.8
245.05923	2.6
246.06682	0.5
247.07516	0.5
249.09073	11.9
250.06290	0.7
250.09454	0.4
250.99986	3.5
251.06934	3.1
252.07703	1.6
253.08635	0.9
261.05417	0.5
261.09042	0.4
262.06268	3.7
263.06946	2.5
265.08478	2.9
266.09390	1.3
267.10141	6.5
268.07239	0.9
268.10349	0.4
269.07941	0.5
276.07898	0.4
277.08539	21.3
278.09192	1.7
279.06433	2.2
279.09460	0.4
281.07803	0.3
281.11581	0.9
283.09534	1.6
294.08801	8.3
295.09628	3.5
296.10358	0.4
299.12726	1.0
309.11142	16.4
309.16998	1.1
310.11456	0.9
312.09900	0.9
327.12216	20.6
328.12549	1.2
328.22125	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.1803
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.5
55.01857	2.3
55.05503	3.8
57.03419	3.9
59.04977	1.5
60.34932	0.6
61.02919	7.8
67.05479	0.7
69.03413	12.0
69.07054	1.3
69.67119	0.7
70.06575	1.8
70.91571	1.9
71.04984	1.7
72.08138	1.1
73.02906	3.7
81.03407	6.1
81.07021	1.6
83.08125	1.4
83.08604	17.3
83.15430	0.7
84.08122	1.7
85.02889	78.7
86.09695	2.8
87.04446	2.4
91.03931	4.0
93.07011	1.0
95.04962	1.0
97.02876	19.6
98.98447	100.0
99.04436	3.5
101.09641	13.8
109.02882	5.1
110.07141	1.0
116.99477	3.1
119.10657	1.5
120.08103	1.1
127.03899	19.4
129.10190	0.9
133.06433	0.9
137.05931	3.2
145.04932	39.7
147.10114	6.2
163.05991	10.3
163.07356	1.5
164.09212	0.9
174.47499	0.8
174.99205	18.9
179.03377	5.2
202.45026	0.6
230.67647	0.6
235.07422	0.6
250.99997	4.6
257.36761	0.7
271.01199	1.0
326.14029	1.5
327.12360	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.2108
Annotation	Daphniyunnine C
Peak:m/z	Relative Intensity
55.05508	3.1
57.07063	1.9
64.02334	0.6
64.08929	0.6
67.05492	1.5
69.07043	1.2
71.07938	1.6
72.50374	0.7
79.05470	2.7
80.05012	1.0
80.05823	1.1
81.03392	2.7
81.07040	1.6
83.04954	2.2
83.08586	1.4
84.05280	0.7
87.04482	0.6
91.05464	2.5
92.05823	0.8
93.06995	0.8
94.06548	5.2
95.04921	1.5
95.06862	1.9
95.08600	1.1
96.08118	6.8
97.08447	2.0
98.98451	44.9
105.07017	1.5
106.06551	2.3
106.07293	0.7
107.07343	1.9
107.08501	0.9
108.04477	1.1
110.06036	1.0
116.99480	1.7
117.05720	2.9
118.06526	7.9
119.06899	1.1
120.08057	1.3
121.07597	3.4
122.06001	4.5
122.07944	2.2
123.06329	2.4
129.06978	1.4
130.06528	4.5
130.07301	0.8
131.07190	1.2
132.08054	0.8
133.05249	0.6
134.05978	2.9
138.09090	1.5
140.01056	0.8
141.06979	0.8
144.04417	0.8
144.08032	2.5
148.09534	0.8
154.06480	1.1
155.07091	0.9
156.08028	8.2
156.09241	0.7
157.08704	2.4
158.09584	2.7
159.09990	0.9
160.07484	1.2
160.89006	0.8
167.07260	3.1
168.08060	6.9
170.05920	0.9
170.09573	7.8
171.10262	1.5
172.07657	0.7
173.08347	0.8
174.99213	7.2
180.08008	5.2
181.06508	3.9
181.08751	4.3
182.09607	11.9
183.06688	1.0
183.10094	1.3
184.07544	29.7
184.11031	1.0
185.03679	0.7
185.08223	4.4
185.10159	1.2
186.08994	1.2
189.14648	1.1
194.09650	2.3
195.10141	1.0
196.11125	1.5
197.10652	2.8
198.09137	40.5
198.11086	5.8
199.09673	5.6
199.11938	2.5
200.10603	2.2
200.12698	1.2
208.11168	0.8
209.08287	1.6
210.09138	7.6
210.10959	1.3
211.12230	1.3
212.06958	4.1
212.10643	2.2
212.12672	3.0
213.13322	0.7
221.10527	0.7
222.11081	1.7
224.10628	1.5
224.12621	1.1
225.10440	0.7
226.08665	4.2
226.12282	1.5
227.09425	5.9
228.09938	1.0
229.10150	0.8
236.12592	1.5
237.13562	0.8
240.09927	0.8
240.12010	0.9
241.10223	0.9
250.99959	2.0
257.20764	1.3
266.18961	4.1
267.19421	4.3
282.18182	1.1
283.19141	1.1
283.21826	0.9
284.19855	7.8
284.22086	7.7
285.20502	5.4
308.19836	1.4
326.10947	5.0
326.21118	100.0
326.29669	1.8
327.07657	1.7
327.11478	3.0
327.21039	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	325.2734
Annotation	Trixagotriol
Peak:m/z	Relative Intensity
50.69568	1.7
53.03936	2.7
55.01864	4.5
55.05506	17.4
57.03425	2.8
57.07066	8.3
59.05004	2.1
67.05497	23.8
69.03421	6.5
69.07061	51.4
70.06575	2.8
70.76102	3.6
71.04991	8.2
71.08624	6.3
79.05492	17.4
81.03430	2.3
81.07047	100.0
83.04977	4.0
83.08607	11.5
84.08125	3.0
85.02900	6.3
85.06523	7.8
86.09711	2.3
87.17932	1.4
91.05471	12.0
93.07032	46.2
95.04961	7.0
95.08597	53.6
96.08908	2.6
97.02870	3.6
97.06516	11.8
97.10178	7.2
99.04430	2.1
99.08069	3.2
101.05991	1.9
102.16474	1.9
105.07015	18.6
107.04915	4.2
107.08582	45.8
107.51775	1.5
109.06515	6.2
109.10141	46.1
110.07172	3.0
111.08077	37.0
111.11687	7.8
117.06992	3.2
119.08546	10.3
121.10122	20.9
122.06025	2.5
123.08069	4.3
123.11688	33.8
125.09636	7.6
127.03914	2.7
131.08559	4.4
133.02763	1.7
133.10121	15.5
135.11674	17.3
137.05977	2.4
137.09622	2.3
137.13232	14.2
139.11165	10.8
145.04944	3.0
145.10144	4.9
147.11673	10.5
149.09608	1.9
149.13231	13.9
151.11153	26.8
151.14798	2.1
153.12717	29.1
155.08470	1.5
155.10649	2.6
159.11688	4.3
161.13203	5.6
163.03915	2.5
163.11237	2.7
163.14822	6.2
165.12729	6.0
169.12207	7.5
173.13206	2.1
175.14815	5.7
177.16383	2.4
179.10594	1.8
181.12230	24.3
181.13707	2.6
182.63303	1.4
187.14716	1.6
189.16359	4.4
191.17906	2.4
193.15744	1.7
195.08347	3.7
201.16449	3.2
203.17928	5.5
205.08502	2.3
207.17387	2.3
215.18027	3.5
237.05788	4.1
244.09604	2.5
245.22710	4.5
251.07384	1.8
271.24194	6.9
277.25226	6.8
289.17978	1.6
289.25223	25.6
293.08212	1.8
307.09451	2.8
307.22958	3.1
307.26273	38.6
325.12491	1.5
325.16376	7.4
325.23630	2.5
325.27332	12.6
346.96518	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2732
Annotation	Trixagotriol
Peak:m/z	Relative Intensity
55.01858	3.0
55.05500	13.0
57.03418	1.5
57.07060	6.9
58.01209	1.5
59.04981	2.4
60.84126	1.5
67.05499	16.5
69.03410	4.5
69.07059	45.5
69.41824	11.5
69.42235	2.8
71.04980	7.6
71.08598	1.8
71.27586	1.6
73.02903	3.0
74.35767	1.7
79.05473	12.2
81.03405	2.2
81.07045	100.0
83.04971	2.4
83.08598	10.7
83.35547	1.3
84.08144	2.1
85.02879	4.1
85.06537	8.8
89.06062	1.9
91.05470	8.1
93.07032	33.0
95.04956	5.7
95.08591	43.4
97.02856	1.8
97.06539	7.9
97.10159	6.0
99.08086	3.5
101.05978	2.4
105.07010	13.7
106.84143	1.5
107.08585	36.0
109.06538	5.1
109.10139	37.7
110.07124	3.8
111.07360	3.2
111.08068	43.6
111.11691	6.8
119.08527	8.3
121.10122	14.8
123.08064	3.1
123.11687	25.2
125.09634	5.7
131.08517	2.7
133.10114	12.1
135.11696	19.8
137.09572	2.3
137.13232	14.0
139.11163	8.5
145.04999	1.5
145.10081	4.2
147.11630	6.7
149.13226	9.1
151.11169	24.0
153.12724	31.9
153.13921	2.2
159.11667	3.7
161.13261	4.1
163.03870	2.6
163.11153	3.9
163.14799	3.5
164.82454	1.7
165.12755	6.3
169.12227	7.3
171.13771	2.2
175.14803	5.4
177.12674	2.6
177.16393	3.1
181.12181	24.4
183.41913	1.7
187.14705	2.2
189.16345	4.2
193.15887	2.7
199.13307	1.9
203.17923	3.8
209.19101	3.3
215.17941	2.8
219.21173	3.0
233.18985	2.1
240.57542	1.6
245.22656	7.5
271.24161	5.5
277.25223	3.4
279.22470	1.9
289.25198	26.7
307.26291	34.8
325.23157	5.6
325.27307	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2732
Annotation	Trixagotriol
Peak:m/z	Relative Intensity
52.03682	1.8
53.03929	2.5
55.01856	4.2
55.05501	14.2
57.07066	8.3
59.04985	2.4
62.85561	1.6
67.05497	22.7
69.03408	5.5
69.07058	53.3
70.97298	1.6
70.97662	4.9
71.04968	8.1
71.08616	3.0
73.02903	2.9
75.11286	1.8
79.05469	14.5
81.01439	1.7
81.07046	100.0
82.07361	2.0
83.04960	4.5
83.08609	13.0
85.02914	3.1
85.06525	9.3
91.05460	7.1
93.07030	39.2
95.04955	4.7
95.08589	48.0
96.08927	2.4
97.06493	9.5
97.10159	6.5
97.57323	1.6
99.04426	2.6
99.08062	4.2
101.05997	2.1
105.07008	13.6
107.04966	2.5
107.08578	41.3
107.09280	3.4
109.06496	5.3
109.10140	44.6
110.07131	5.5
110.10397	1.7
111.07476	1.9
111.08064	51.7
111.11695	9.5
119.08582	7.6
121.06491	2.8
121.10127	17.9
123.08046	2.9
123.11697	24.8
125.09602	6.6
125.13204	1.9
127.03908	3.3
131.08591	2.3
133.10097	13.3
135.11678	21.9
137.09634	3.1
137.13242	17.8
139.11174	9.7
141.49411	1.6
145.04967	1.9
145.10100	6.0
147.11679	7.6
149.09496	2.2
149.13254	10.6
151.11165	22.9
153.12714	39.1
155.10645	3.6
159.11668	4.9
161.13249	6.7
163.11160	4.1
163.14806	7.9
165.12752	7.2
169.12231	10.8
173.13235	2.7
175.14781	5.4
177.12735	2.6
181.12215	30.5
189.16383	3.3
199.10785	2.1
203.17953	4.3
215.17921	2.9
234.20270	1.9
245.22610	7.3
251.92125	2.0
271.24182	7.7
277.25333	5.1
279.22565	3.4
289.25189	30.9
307.26279	43.5
307.29800	2.1
325.23016	9.4
325.27307	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	325.2367
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.0
55.01856	4.1
55.05505	19.0
57.03436	3.2
57.07064	2.0
59.04993	4.2
65.03923	2.8
67.05499	32.7
69.07059	22.6
70.07407	1.7
70.75629	6.7
71.04978	17.1
72.67618	1.7
73.06537	5.4
79.05484	26.1
81.07043	40.6
83.04961	4.2
83.06075	2.8
83.08614	9.9
85.02865	1.9
85.06524	6.2
91.05471	34.3
93.07030	32.9
95.04939	9.4
95.08594	33.0
97.06509	8.4
97.10129	6.5
99.08076	7.0
100.08478	2.0
105.07021	48.0
107.04923	5.5
107.08578	28.9
109.06499	7.3
109.10134	13.7
111.05544	7.7
111.08057	3.8
113.09645	2.6
117.07007	10.9
119.07785	3.0
119.08569	42.7
121.06470	7.6
121.10130	16.6
123.08054	6.7
123.11681	3.7
125.09641	4.4
129.06958	4.5
131.08539	14.0
133.10115	34.2
135.08035	10.1
135.11679	10.6
136.08403	2.0
137.09595	6.2
139.11174	3.0
142.21402	2.2
143.08536	4.5
145.10107	28.0
147.11682	17.0
149.09587	11.7
149.13274	4.1
150.05438	2.0
151.11140	4.2
157.10098	7.6
159.11652	12.3
161.09567	2.4
161.13208	5.7
163.11136	6.3
165.12804	2.5
169.10106	3.4
171.11661	6.8
173.11845	1.9
173.13217	6.6
177.12688	3.8
183.11693	3.4
187.11276	2.1
189.12752	2.1
197.13222	2.9
213.16388	2.5
223.14790	2.0
227.16316	2.4
231.17462	3.6
233.15132	1.9
233.22926	1.9
239.17979	4.9
247.20535	4.0
249.18491	2.5
251.16299	2.0
257.19077	11.8
275.20032	100.0
276.20303	2.3
289.21588	4.2
293.21033	5.4
307.19135	2.3
307.22620	44.9
307.26697	2.7
308.22998	2.9
325.21255	3.6
325.24655	6.6
334.89334	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2365
Annotation	Dihydromonacolin L acid
Peak:m/z	Relative Intensity
51.20209	1.2
53.03928	2.3
54.96650	1.0
55.01858	1.6
55.05496	14.6
57.03428	9.0
57.07069	9.0
65.03917	2.4
67.05489	79.9
68.05825	1.4
68.31865	1.1
69.07048	9.0
69.84635	2.0
69.85041	5.5
71.04984	7.1
71.08610	2.5
79.05479	53.9
81.07040	81.5
83.04971	4.6
83.08591	8.2
83.86884	1.2
84.05302	2.0
85.06524	7.3
91.04895	1.2
91.05467	21.5
93.07025	66.4
94.06540	2.6
95.04961	5.6
95.08585	62.0
96.08092	1.9
97.06507	4.8
97.10144	2.1
99.08065	7.0
105.07002	16.7
107.08567	34.6
109.06509	4.0
109.10132	37.0
111.08076	2.5
113.09632	3.6
113.39832	1.1
117.06997	11.9
119.08541	16.0
121.07664	1.6
121.10117	48.5
122.06007	1.9
123.08070	2.2
123.11680	22.3
125.09605	2.9
127.11165	1.3
129.05460	2.2
131.08542	20.9
133.10106	22.2
135.08035	2.1
135.11664	53.9
137.09612	4.0
137.13232	6.8
139.11122	2.1
145.10104	17.7
147.11646	12.9
149.09596	3.9
149.13226	29.9
151.11163	3.1
159.11659	18.2
161.13243	5.0
163.11153	2.8
163.14822	1.6
173.13226	17.7
175.14771	1.6
177.12709	2.7
187.14783	4.7
189.16388	3.1
191.14243	1.5
191.17953	3.0
197.10706	1.6
204.84241	1.1
205.15874	2.9
205.19489	14.4
207.56555	1.1
215.17914	68.6
216.18286	3.2
217.19554	1.4
231.72710	1.2
233.18958	100.0
234.19342	4.4
251.19987	9.2
266.18887	1.6
283.21649	3.3
284.20013	1.6
307.22583	21.0
325.23395	51.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2368
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53357	1.2
53.03932	3.2
55.01840	1.5
55.05507	15.2
55.85282	1.1
57.03417	5.4
57.07069	8.2
64.68074	1.1
65.03914	1.3
67.05496	74.0
69.07053	8.8
69.79524	4.9
69.79935	3.2
71.04983	7.9
71.08600	1.5
74.65530	1.1
79.05484	59.1
80.05829	1.2
81.07047	80.9
83.04963	2.1
83.08599	6.5
85.06554	8.1
91.05466	25.8
93.07031	73.5
95.04962	6.3
95.08598	57.0
97.06526	4.2
97.10162	2.7
99.08090	7.4
105.07018	20.3
107.08583	37.5
108.08857	1.4
109.06501	4.0
109.10143	36.7
111.08060	3.1
111.11708	1.6
113.09624	3.5
117.07012	12.1
119.08568	20.5
121.10126	50.4
122.10475	1.2
123.08028	2.3
123.11681	22.3
125.09628	4.0
131.08554	26.9
133.10100	23.6
135.08064	2.4
135.11673	59.4
136.11958	1.8
137.09593	3.5
137.13232	5.5
139.11198	3.6
145.10110	22.1
147.11665	18.1
149.09589	3.6
149.13242	27.8
151.11177	3.1
153.12682	1.6
159.11685	20.0
161.13248	3.4
163.11142	2.6
163.14819	2.4
172.97868	1.3
173.13251	17.9
177.12654	2.9
187.14850	5.8
189.16400	3.4
191.17960	1.7
205.15756	2.8
205.19518	14.1
215.17928	66.1
216.18343	4.1
223.14304	1.6
233.18982	100.0
234.19244	2.4
251.20155	2.6
307.22559	7.6
325.23782	34.8
326.24130	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2368
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.8
55.01847	2.4
55.05506	11.4
56.96565	2.7
57.03424	6.2
57.07069	8.3
61.02895	1.5
65.03926	2.7
67.05496	77.1
67.46351	1.7
68.05811	2.0
69.03413	4.7
69.07053	14.1
71.04964	6.9
71.08618	2.2
71.62183	2.0
72.08141	1.7
74.94599	1.8
79.05481	58.0
80.05818	2.2
81.07043	79.1
83.08607	11.2
85.02879	4.1
85.06541	8.5
85.10172	2.0
87.04444	1.9
89.61031	1.7
91.03933	2.5
91.05463	28.7
93.07033	74.0
95.04955	9.1
95.08593	53.8
95.09035	1.4
97.06516	6.1
97.10150	4.2
99.08063	6.1
105.07012	24.6
107.08579	40.6
109.10146	34.2
111.08071	5.0
113.09621	3.4
117.07010	12.1
119.08552	20.9
121.10123	56.9
121.65329	1.6
123.08018	1.9
123.11686	22.1
125.09640	5.4
127.03903	2.9
127.11183	1.8
131.08543	25.0
133.10121	22.3
135.08098	2.9
135.11674	55.1
137.09621	4.1
137.13266	4.6
139.11191	3.2
142.07765	2.9
143.08553	2.4
145.10097	25.6
147.11679	16.3
149.09636	3.5
149.13248	24.5
151.11125	4.7
155.08546	2.0
157.10100	3.3
159.11667	21.0
161.13263	6.3
163.11180	3.0
169.10071	2.2
171.11780	2.3
173.13257	15.2
183.11671	2.7
187.14827	3.4
189.16388	2.9
193.10036	2.4
193.88852	2.0
199.14827	2.2
205.15741	2.1
205.19501	14.1
209.13206	2.0
215.17929	70.9
216.18323	2.6
223.14751	3.4
233.18970	100.0
234.19188	2.2
250.01505	4.4
251.20042	2.2
261.04535	1.8
269.15512	2.3
269.18979	1.8
279.05377	18.0
280.05591	2.4
281.26617	4.1
297.06357	8.4
302.06946	4.9
307.22855	6.0
325.24036	29.5
325.29034	2.5
326.27243	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2367
Annotation	Dihydromonacolin L acid
Peak:m/z	Relative Intensity
55.01854	1.6
55.05503	10.2
57.03428	1.8
57.07057	2.8
67.05503	8.7
69.03417	4.2
69.07051	14.2
70.91245	2.2
71.04980	2.8
71.08224	1.0
71.08623	20.8
78.99258	0.9
79.05473	6.8
81.07037	17.7
83.04940	1.1
83.08601	4.3
85.06526	1.9
91.05460	3.1
93.07027	10.2
95.04960	4.7
95.08588	14.6
97.06541	3.1
97.10179	1.7
99.08076	17.8
105.07011	7.0
107.08595	7.8
109.06503	21.2
109.10165	4.5
110.14557	0.8
111.08059	1.5
117.06960	1.2
119.08548	7.5
121.06487	6.4
121.10133	4.4
123.08065	3.0
123.11688	3.9
131.08572	3.9
133.10112	2.9
135.08031	4.6
135.11671	1.2
139.11151	6.4
139.70416	0.9
141.09064	1.6
141.12679	1.2
145.10144	2.4
147.11685	2.6
149.09598	2.5
149.13217	1.3
159.11703	1.6
161.13217	1.6
163.11150	3.0
163.14804	1.9
165.12730	40.9
166.13080	1.3
169.10008	1.0
173.13245	2.1
177.12759	4.5
177.16438	1.1
179.14273	2.1
181.15840	13.9
183.11777	1.2
187.14720	1.1
190.55811	1.0
191.14302	4.2
201.12811	1.2
205.15942	1.0
209.15425	1.3
251.16402	4.6
251.23741	1.5
253.19464	1.6
261.22110	19.8
262.22546	1.0
271.20715	2.4
279.23102	4.7
289.21570	41.5
290.21896	2.0
307.22626	100.0
308.22925	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	325.2366
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51921	1.9
55.05494	11.9
57.03416	8.4
57.07056	7.2
67.05495	84.0
69.07059	11.8
69.61440	12.2
69.61843	3.8
71.04974	6.0
79.05483	51.8
81.07046	92.2
83.08604	4.6
85.06534	5.6
88.93578	2.1
91.05473	20.1
91.20453	1.7
92.56094	2.2
93.07032	64.2
93.07621	4.3
95.04928	4.3
95.08592	59.2
97.06521	3.9
97.10152	3.8
98.21468	3.7
99.08076	8.4
99.32933	1.8
105.07018	19.4
107.08580	45.3
109.06475	4.5
109.10126	33.8
111.08072	2.4
113.09635	4.3
117.06981	12.6
119.08568	15.0
121.09291	3.8
121.10124	46.6
123.11691	22.5
125.09627	2.6
131.08531	23.2
133.10117	18.1
135.11674	53.7
137.09560	2.5
137.13208	7.2
139.11180	2.5
145.10077	20.3
147.11656	14.8
149.09639	5.1
149.13255	26.8
151.11154	4.2
159.11696	18.5
161.13216	3.0
163.11143	6.1
173.13257	13.3
187.14809	5.6
189.16365	2.8
205.19447	15.6
215.17926	68.7
216.18253	2.6
233.18973	100.0
234.19286	3.1
238.77734	2.2
243.90324	2.2
251.20035	7.1
273.34479	2.1
307.22592	15.8
325.23636	34.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2364
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24666	2.2
53.03923	2.8
55.01832	2.8
55.05498	13.0
57.03425	5.6
57.07055	10.2
67.05490	73.1
69.07052	10.0
71.04978	7.1
71.37758	4.6
75.26212	2.1
79.05478	50.0
81.07038	76.6
82.17371	2.2
83.04976	2.6
83.08598	7.7
85.06510	9.3
89.84162	2.3
90.37193	2.2
91.05453	23.0
93.06456	5.1
93.07018	67.4
95.04936	2.8
95.08588	56.8
97.06484	3.5
99.08063	6.0
102.67543	2.5
105.07021	20.2
107.08567	39.5
109.10136	30.4
113.09620	3.2
117.07011	12.9
118.53885	2.5
119.08567	16.9
121.10110	52.6
121.10899	4.0
123.11686	22.3
125.09615	4.0
131.08540	24.1
133.10098	24.7
135.07982	3.3
135.11658	61.2
137.09561	4.4
137.13223	6.9
145.10095	20.7
147.11653	14.6
149.13246	29.3
151.11107	4.8
159.11665	20.7
161.13219	6.0
163.11078	3.2
173.13213	19.8
182.80997	2.2
187.14760	5.5
189.16428	3.2
191.14273	3.2
196.59294	2.2
197.30855	2.2
199.64439	2.4
205.19408	16.2
215.17897	66.1
215.19878	4.0
233.16594	5.5
233.18941	100.0
234.19298	4.2
251.19997	5.8
307.22540	6.4
325.23502	30.7
326.24078	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2367
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.3
55.01846	2.3
55.05505	13.1
55.37334	2.1
57.03419	10.1
57.07065	6.4
65.03938	2.1
67.05495	100.0
69.03415	2.9
69.07059	14.8
70.74805	2.3
70.75149	6.8
71.04980	5.7
79.05481	60.6
81.07047	96.3
83.08605	6.8
85.02887	4.3
85.06534	9.6
85.65276	2.1
91.03927	3.8
91.05470	29.1
93.07033	76.6
95.04938	5.2
95.08595	65.8
96.76360	2.2
97.06501	6.1
97.10123	2.4
99.08089	6.4
103.05453	3.5
105.07014	21.1
107.08572	50.9
109.10146	43.7
111.08067	2.9
113.09658	2.3
115.05461	2.1
117.06976	12.7
119.08564	20.4
121.10125	58.6
123.08081	3.0
123.11702	26.3
125.09612	2.4
131.04900	7.8
131.08549	22.4
133.10117	26.3
135.08089	2.6
135.11665	66.5
137.05977	16.0
137.13231	7.5
141.06996	4.0
145.10083	20.1
147.11653	15.6
149.09650	4.4
149.13228	33.2
151.07521	10.0
151.11176	3.5
159.11659	22.0
161.13226	3.8
163.07530	6.6
163.11221	2.3
171.11691	2.5
173.13231	16.8
175.07512	9.8
177.12732	2.5
187.14796	5.0
189.16461	3.5
191.17932	2.9
200.75809	2.4
201.09177	6.4
205.19432	12.6
215.17921	63.5
216.18318	3.4
227.07210	3.5
233.09514	3.2
233.18977	95.6
234.19283	4.6
237.09091	3.5
240.07773	9.8
251.20058	7.2
253.04977	3.2
254.09299	4.4
265.08514	5.3
265.12286	4.0
268.07294	23.5
269.07687	3.9
279.05295	6.1
280.26022	2.6
281.26700	8.1
282.08817	4.6
283.09637	65.7
284.09930	7.2
293.11740	10.0
294.12241	3.2
297.06436	2.5
297.11203	19.8
307.22632	16.3
325.14310	45.2
325.23627	37.0
325.29297	5.0
326.14618	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2366
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	14.7
57.03421	10.4
57.07084	5.0
67.05496	87.1
69.07067	12.1
71.04986	11.5
79.05481	49.4
81.07045	88.8
83.08614	5.9
83.21131	2.8
85.06551	7.1
91.05470	27.5
91.10483	2.3
93.07032	67.0
95.04985	5.2
95.08592	57.8
97.06530	3.8
99.08077	7.7
105.07030	16.7
107.08581	39.9
109.06506	2.9
109.10143	35.4
113.09660	4.6
117.07013	8.5
119.08559	17.1
121.10120	51.3
123.11691	23.8
125.09639	3.2
131.08527	21.2
133.10120	23.0
135.11674	50.7
137.09666	3.7
137.13216	6.2
139.70430	2.5
145.10081	20.7
145.91019	2.5
147.11684	11.4
149.13242	22.8
151.11224	3.8
159.11638	19.6
161.13242	4.5
173.13203	15.0
175.14745	3.3
187.14828	6.7
189.16290	3.8
205.19463	9.6
215.17921	64.8
216.18124	3.3
233.18968	100.0
234.19382	4.3
251.20021	8.1
268.78119	2.9
307.22650	17.5
314.02808	2.6
325.23657	33.6
328.37631	2.2
336.07184	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	325.2366
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05491	16.3
57.03422	10.3
57.07061	10.5
61.80848	4.2
67.05491	91.9
69.07040	14.0
71.04977	7.6
71.08594	5.0
71.60788	7.2
73.22109	4.1
74.95897	5.3
79.05480	46.2
81.07045	93.2
83.04929	5.1
83.08600	10.5
85.06525	6.3
91.05475	22.4
93.07030	68.3
94.29297	3.9
95.04936	5.5
95.08591	62.9
97.06511	5.3
101.44960	4.0
105.07012	16.6
107.08568	46.1
109.10120	35.8
110.59319	4.1
117.06978	7.0
119.08566	17.1
121.10125	41.7
123.11690	21.9
131.08527	28.0
133.10088	22.5
135.11658	55.1
137.09479	5.9
137.13220	6.8
145.10106	15.5
145.89719	3.9
147.11676	9.2
149.09633	6.1
149.13211	25.8
152.42270	5.1
159.11722	26.2
173.13263	13.6
187.14822	6.9
187.23482	4.2
200.07840	4.1
205.19431	14.2
212.73259	4.5
215.17908	60.2
216.18221	4.2
233.18968	100.0
241.33017	4.6
250.73035	4.1
251.19980	9.3
307.22516	16.6
312.88290	4.7
325.23621	29.3
325.32925	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	325.2368
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	2.0
54.80308	1.0
55.05507	11.6
57.03422	4.3
57.07062	8.0
65.03923	1.9
67.05495	73.9
69.07057	10.1
69.29582	11.8
71.04974	6.6
71.08611	2.2
75.04504	1.6
79.05479	57.5
81.07047	79.3
83.04970	2.0
83.08594	7.0
84.87389	1.1
85.06516	6.6
91.05465	25.8
92.48900	1.1
93.07030	71.4
94.07360	1.3
95.04948	3.5
95.08595	53.8
97.06532	5.3
97.10149	3.5
98.20688	2.5
99.08085	8.8
102.13042	1.2
105.07011	23.0
107.08581	42.9
109.06509	3.0
109.10139	28.4
111.08054	4.0
113.09599	5.6
115.05481	1.6
117.06992	13.6
119.08572	19.6
121.10126	56.5
123.08070	2.7
123.11685	21.8
125.09618	3.7
127.05447	1.2
129.06995	1.8
130.07739	1.4
131.08548	28.5
133.10112	23.6
135.08046	2.4
135.11671	59.0
136.12027	1.5
137.09590	3.0
137.13271	4.6
139.11182	3.0
145.10098	22.8
147.11676	17.4
149.09596	3.6
149.13235	27.3
151.11174	3.9
151.14798	1.2
159.11673	23.9
161.13243	5.2
163.11145	3.2
163.14835	3.1
173.13252	16.8
174.13875	1.1
175.14825	2.3
177.12753	3.3
187.14798	4.9
189.16356	3.1
189.56000	1.3
191.14291	1.9
191.17950	1.8
199.00954	1.3
202.85670	1.1
205.15904	2.9
205.19464	14.6
215.17918	69.8
216.18245	2.8
232.06519	3.7
233.18976	100.0
234.19307	2.3
241.07103	2.1
251.20091	3.7
261.62207	1.2
268.09445	2.1
277.09897	2.5
278.09949	1.2
307.22632	7.0
321.63214	1.2
325.20084	2.2
325.23694	30.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2268
Annotation	N-Acetylaspidospermidine
Peak:m/z	Relative Intensity
50.71581	0.4
53.03930	1.6
55.01857	0.7
55.05499	2.2
57.07061	2.4
61.02893	0.5
67.05495	2.3
69.07050	1.1
70.78445	0.9
70.78819	0.8
79.05480	5.0
80.04991	1.2
81.03412	3.9
81.05771	1.1
81.07047	2.9
83.04945	1.6
83.08592	1.5
84.05276	0.7
85.02894	1.5
91.03927	1.1
91.05466	3.6
93.07028	1.6
94.06554	11.3
95.04942	2.1
95.07340	1.1
95.08594	1.5
96.08118	12.5
97.02890	0.4
103.05424	0.7
104.04995	1.1
105.07018	1.7
106.06535	3.3
107.04983	0.4
107.07325	0.9
107.08560	1.2
109.06518	0.7
109.88204	0.5
115.05438	0.5
117.05738	1.6
117.06971	0.6
118.06503	3.9
119.08543	1.0
120.08077	1.3
121.07604	8.7
122.06001	9.7
127.11166	0.8
129.06970	1.3
130.06511	3.3
131.07300	0.6
131.08513	0.4
132.08058	1.1
133.07596	1.8
134.06006	1.1
138.09099	3.2
141.06956	1.0
142.06509	0.6
143.07271	1.3
143.08455	0.5
144.08067	1.9
145.07547	1.1
146.06009	1.0
146.08362	1.1
146.09564	0.5
147.09114	1.5
147.11636	0.5
148.07480	0.5
153.06964	0.8
154.06505	0.7
155.08527	1.2
156.08040	3.3
157.08832	1.8
158.09610	3.9
159.09134	2.6
160.07576	0.6
160.09944	1.6
161.07069	0.9
161.10727	0.5
163.05989	0.6
165.12708	2.7
167.07246	2.8
167.08501	0.6
168.08078	2.1
169.07549	0.6
170.08371	0.6
170.09673	2.1
171.09117	1.8
171.10420	1.0
172.11237	0.9
174.09088	0.4
175.08632	1.8
176.14343	0.8
179.08597	0.5
180.08086	4.0
181.06413	1.0
181.08841	4.5
181.10248	0.6
182.08311	1.5
182.09625	6.4
183.06619	0.5
183.09128	3.8
184.07559	4.8
184.09880	1.9
184.11308	0.7
185.08328	1.3
185.10680	1.7
188.14389	2.0
190.15846	0.8
194.09616	2.8
195.08966	0.8
195.10455	1.5
196.09750	0.9
196.11229	1.3
197.10719	12.1
198.09119	5.4
198.11453	4.3
199.12283	2.6
200.10818	0.7
207.09148	1.8
208.09750	0.6
208.11394	0.6
209.10536	1.0
210.09056	0.8
211.12271	6.7
212.06973	0.4
212.10777	0.9
212.13005	1.2
213.13939	0.4
220.09868	0.6
221.10696	3.7
222.11435	1.0
223.12285	1.4
225.10220	1.1
225.13821	1.1
226.08534	0.8
227.09509	0.5
227.11662	0.6
231.50282	0.4
235.12299	3.6
236.12917	1.0
237.13779	0.8
239.11765	1.1
239.76047	0.4
240.12494	1.1
241.13306	1.9
242.19049	0.8
249.13808	1.1
253.13271	0.9
254.13930	0.6
254.19183	0.4
256.20523	1.5
266.19016	7.3
267.18771	1.0
281.20044	1.6
282.18405	0.7
283.21655	20.5
284.19955	8.3
285.20462	0.6
307.21655	2.2
325.22684	100.0
326.20673	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	325.1791
Annotation	2,3-Epoxymenaquinone
Peak:m/z	Relative Intensity
55.01847	0.8
55.05501	8.1
57.03417	1.4
57.07066	4.7
58.47034	0.6
66.10323	0.6
67.05496	6.0
67.06046	0.7
69.07056	15.7
71.08599	2.1
71.63839	0.7
79.05457	1.7
81.07049	6.2
83.08601	4.4
85.10156	3.8
85.10578	0.6
91.05422	0.8
93.07018	2.2
95.08572	3.2
97.06525	0.7
97.10144	3.3
107.08581	0.8
109.10120	2.0
111.11672	1.0
113.09620	2.3
121.10114	1.9
123.11650	1.6
128.06180	3.0
129.06967	1.2
131.04877	0.7
135.11682	1.3
141.06985	3.1
143.08505	2.8
149.55869	0.7
152.06154	0.7
153.06978	1.1
155.04832	0.9
155.08565	1.2
157.06461	3.1
161.05937	2.0
167.08574	0.9
168.05711	0.9
169.06432	2.2
171.04364	1.7
171.08020	16.5
175.03894	0.7
181.06450	18.2
183.04391	1.8
183.08047	0.8
184.05162	12.6
185.05928	4.8
187.07501	3.2
195.08025	2.6
196.05133	1.3
197.05933	4.2
198.06734	3.3
199.03885	20.9
199.07513	14.0
200.04634	6.7
201.05371	1.1
203.06985	0.9
205.06390	1.0
206.06993	0.7
208.05241	1.1
209.05940	9.6
210.06546	1.1
211.07578	3.8
212.04655	44.6
213.05440	9.4
213.09033	2.2
214.06212	20.1
215.06981	13.6
222.06633	1.0
223.07526	3.7
225.05539	3.2
225.09000	0.8
226.06224	2.6
227.06987	87.6
228.07356	3.2
233.18982	0.9
236.08357	0.8
237.09099	1.5
239.06975	5.9
241.08582	2.7
254.09126	0.8
255.10063	0.8
293.15390	2.7
294.15988	1.0
307.16904	1.5
310.15564	1.8
325.17920	100.0
325.27228	10.3
326.18277	5.0
331.97437	0.8
333.82611	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1793
Annotation	2,3-Epoxymenaquinone
Peak:m/z	Relative Intensity
51.71919	0.4
55.01857	0.8
55.05511	3.4
57.07069	2.6
67.05499	5.2
69.07058	12.5
69.36423	1.1
69.36836	3.2
71.08591	0.7
79.05457	1.5
79.36914	0.4
81.07045	5.1
83.08582	0.6
85.10170	4.2
88.26051	0.3
91.05447	0.4
93.07018	1.1
95.04911	0.5
95.08597	2.6
99.08044	0.4
105.07012	0.6
107.08576	0.8
109.10110	1.5
111.11685	0.5
113.09634	2.8
115.05434	0.5
121.10139	0.7
123.11699	1.3
128.06198	3.7
129.07002	2.1
131.04909	1.0
135.11642	0.8
141.06973	2.8
143.08540	3.9
145.06494	0.5
152.06151	0.7
153.06963	2.0
155.04788	0.9
155.08524	1.3
156.05663	0.8
157.06482	2.6
159.07999	0.5
159.11620	0.7
161.05954	2.1
165.06917	0.5
167.08580	0.9
168.05711	0.8
169.06451	2.5
171.04460	2.7
171.08023	16.3
172.05162	0.9
173.05995	0.8
175.07457	0.5
181.06454	16.8
182.06912	0.9
183.04384	1.6
183.08008	0.9
184.05165	14.0
185.05928	4.1
187.07492	2.6
188.04716	0.6
195.04349	1.0
195.08067	2.0
196.05190	0.9
197.05948	3.7
198.06775	4.1
199.03877	21.2
199.07518	13.2
200.04652	8.1
200.07745	0.5
201.05405	1.2
203.07048	0.8
205.06462	0.9
208.05173	0.5
209.05971	10.0
210.06647	1.4
211.07516	4.2
212.04657	46.3
213.05402	9.5
213.09079	1.8
214.06215	21.2
215.06982	13.9
215.17889	0.5
221.05887	1.3
222.06549	1.1
223.07520	3.5
225.05450	2.8
225.09079	0.6
226.06201	3.5
227.06998	93.2
228.07336	4.3
229.08559	0.6
233.18938	0.9
235.07576	0.6
236.08282	0.8
237.09093	1.7
239.06969	6.4
240.07686	1.0
241.08563	2.7
249.41005	0.4
251.10547	0.8
253.08542	1.3
254.09077	1.4
275.72980	0.5
293.15384	2.8
293.21054	1.5
294.15955	1.1
297.18481	1.2
307.16843	1.9
307.22754	0.9
310.15521	1.4
325.17929	100.0
326.18198	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	325.1641
Annotation	15-Acetoxyscirpen-3,4-diol
Peak:m/z	Relative Intensity
53.73921	0.5
55.05494	1.5
57.03416	0.6
67.05489	2.2
69.03411	1.6
69.07044	1.5
70.06558	0.5
70.68178	1.6
70.68561	0.8
79.05470	1.2
81.07038	1.5
83.08567	1.1
85.06520	0.9
86.09682	0.8
91.05471	1.2
93.07021	2.1
95.04958	0.7
95.08569	1.3
97.06518	0.5
105.07013	2.7
107.08579	0.8
109.01642	0.4
109.06573	0.6
109.10091	1.1
111.05575	0.9
111.08052	0.5
113.92698	0.5
115.05460	1.1
117.07001	2.8
119.08566	1.3
121.10091	0.8
129.06998	0.5
133.10054	0.7
134.18510	0.4
135.07961	0.7
135.11725	0.5
136.90930	0.5
140.08740	0.5
145.06485	4.5
147.08028	0.5
149.05925	0.9
157.06458	0.5
159.08020	1.0
161.05965	1.3
163.07492	1.2
173.05968	10.2
174.06282	0.5
175.07549	6.8
177.05428	1.8
187.07535	2.2
191.07010	8.1
203.07007	21.1
203.10577	0.7
204.07352	1.0
205.08615	2.5
209.08049	1.7
215.06998	2.2
221.08057	100.0
222.08359	4.0
229.12180	1.4
231.10170	0.7
233.08064	4.1
239.10329	0.8
246.82722	0.5
257.11697	4.3
271.16827	0.6
275.12723	25.0
276.13049	0.8
289.17859	0.7
293.13785	33.8
294.14090	1.7
307.18979	0.8
307.23343	0.5
325.10986	0.7
325.21329	1.7
325.24841	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1388
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.0
55.01860	2.6
57.03423	2.5
59.04982	0.5
61.02900	1.1
64.98207	0.4
65.41903	0.3
69.03419	17.0
70.06574	1.3
71.01321	1.0
71.04980	5.4
71.62817	1.0
72.08149	0.6
73.02886	1.1
75.04463	0.5
81.03402	17.8
81.07027	0.6
84.08120	1.3
85.02895	2.8
86.09685	1.2
91.05460	0.9
91.75723	0.4
93.07023	0.4
95.08584	0.6
97.02845	0.9
99.04438	7.3
117.05456	1.0
118.06523	3.7
120.08077	0.9
127.03870	0.7
129.10201	0.6
135.04295	0.5
145.04950	0.7
145.06519	0.6
145.07585	5.5
147.09131	6.7
150.05458	0.6
159.88174	0.4
161.07187	0.5
162.07840	1.3
163.03868	1.2
163.07426	0.5
163.08655	1.1
173.07077	10.5
175.08656	7.3
179.03381	0.8
183.28529	0.4
187.08717	0.6
191.08122	100.0
192.08395	0.9
203.08127	0.6
205.09676	0.5
215.11757	0.6
233.09187	1.4
289.11679	1.6
307.12830	35.9
308.13068	0.6
325.13879	35.1
326.14127	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.131
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.1
55.01863	10.0
55.05499	8.0
56.05012	1.0
57.03427	2.8
57.07054	4.5
64.38738	1.1
65.03923	1.7
67.05495	47.1
69.03413	6.4
69.07061	10.1
69.70803	4.3
69.71210	3.0
70.06578	7.5
71.04980	100.0
72.05271	1.1
72.08141	5.0
72.61948	1.1
73.02899	4.4
74.99045	4.4
79.05476	16.1
81.03405	1.9
81.07043	41.9
83.04963	8.0
83.08605	4.0
84.04491	2.5
84.08144	8.1
85.02882	10.6
85.06529	96.1
86.09706	6.8
87.04441	1.7
90.06596	1.2
91.05463	36.9
93.00076	5.3
93.07027	16.9
95.04953	3.3
95.08596	4.5
97.02865	3.5
97.06522	3.8
99.04433	3.1
99.72486	0.9
102.05522	1.1
102.98529	2.6
105.07013	36.0
107.04927	1.6
107.08578	34.5
109.06483	6.3
109.10136	50.8
111.08053	1.4
112.08735	1.3
113.05976	2.1
119.08576	1.3
120.08088	2.8
120.99554	19.7
121.10133	4.7
123.08041	2.0
123.11682	10.0
125.09619	4.7
127.03896	6.2
127.07566	2.9
129.10223	3.4
131.08559	3.0
132.08031	1.4
133.10107	73.4
134.10501	1.6
135.04366	2.6
137.06001	1.2
137.09599	1.6
139.11169	3.9
143.10669	1.6
143.11830	1.4
145.02873	1.2
145.04927	3.7
149.09621	3.9
151.11157	62.0
152.07028	2.7
152.11420	1.6
157.06711	1.1
157.12163	2.2
161.09598	1.1
163.03864	15.1
163.07500	2.9
165.07301	1.2
167.10649	2.2
169.12215	99.8
170.12593	2.0
179.03371	2.2
184.17995	1.1
185.11751	1.9
187.13235	7.1
201.09401	6.0
243.10394	1.1
261.11539	3.2
272.31476	1.2
279.12549	1.3
289.10938	2.3
293.08197	1.3
307.12064	22.5
325.09625	1.3
325.13184	22.7
325.21793	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	325.1025
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.3
53.32485	0.2
62.11615	0.2
65.03913	0.2
67.05488	1.8
67.25664	0.2
69.03421	0.3
70.06540	0.4
70.20924	0.8
71.04985	0.3
72.08147	0.5
79.05472	0.5
81.03391	0.3
81.07009	0.2
83.51453	0.2
84.08121	0.3
85.02890	0.8
86.09669	0.2
94.06551	6.4
95.04964	0.2
95.06862	0.3
97.02857	0.4
106.06547	2.5
121.07645	0.2
122.06008	5.9
124.07569	0.4
127.03918	0.4
127.11169	0.6
133.07634	0.5
134.06006	2.6
136.07547	1.2
137.93625	0.2
138.05487	0.5
145.04971	0.3
145.06487	0.4
145.12212	0.2
148.03902	1.4
149.07079	3.4
149.16414	0.2
150.05479	100.0
151.05815	1.8
151.08624	3.7
152.07045	2.8
158.50285	0.2
161.07082	1.4
162.05487	0.5
163.03868	1.4
163.07513	1.5
168.06528	3.0
177.06598	0.8
178.07405	0.3
179.08130	1.6
189.06580	0.7
190.18015	0.2
203.08276	0.2
207.07628	0.3
217.06018	0.9
223.97906	0.2
233.05537	1.3
237.48128	0.2
237.66249	0.3
243.07588	0.2
251.06610	0.5
325.10272	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	325.0912
Annotation	Skimmin
Peak:m/z	Relative Intensity
57.03405	0.2
60.39436	0.1
61.02895	0.2
65.03899	0.2
67.05495	0.2
69.03407	0.7
70.06573	0.4
70.81053	0.3
70.81441	0.4
71.04985	0.3
75.86224	0.1
79.05477	0.4
81.03398	0.3
81.07019	0.4
84.08137	0.3
85.02892	1.2
85.06503	0.2
86.09712	0.2
91.05463	4.4
92.05737	0.2
95.04977	0.3
97.02882	0.9
99.08019	0.2
105.07022	0.2
107.04939	7.0
107.08568	0.2
117.09094	0.9
119.04927	6.5
120.05230	0.2
127.03866	0.3
127.07526	0.6
129.10210	0.2
135.04416	0.9
145.02782	0.2
163.03876	100.0
164.04218	3.1
307.12766	0.4
325.09033	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.2164
Annotation	(-)-Jasmonoyl-L-isoleucine
Peak:m/z	Relative Intensity
53.70310	0.3
55.01877	0.4
55.05503	1.9
57.03424	0.6
67.05502	3.7
69.07055	9.3
70.04060	0.6
70.22705	1.9
71.05009	0.6
79.05476	3.3
81.07047	7.0
83.04975	3.9
83.08594	0.6
86.09693	100.0
87.10011	0.6
87.49406	0.4
87.49943	0.4
91.05468	9.3
93.07030	11.2
95.04937	1.9
95.08589	2.6
97.06500	0.9
105.07016	13.4
107.04949	0.5
107.08588	3.1
109.06502	9.5
109.10143	1.5
111.08060	4.1
117.07017	0.7
119.08554	4.9
121.10133	1.5
123.08048	1.0
123.11662	1.0
128.10698	4.6
129.06970	0.9
131.08540	4.3
132.10187	30.5
133.06471	1.2
133.09088	0.9
133.10114	16.9
135.11697	0.4
142.07860	0.4
145.10066	0.8
147.08034	0.7
147.11673	13.0
149.09567	2.1
149.13275	1.0
151.07523	3.5
151.11163	41.0
152.11612	0.5
156.10197	1.7
157.10117	0.9
165.12727	2.1
175.11168	3.9
192.13850	0.8
193.12206	4.5
210.14964	0.9
220.36395	0.4
222.14861	0.6
247.24239	0.4
260.20078	7.3
278.21112	28.7
279.21570	0.8
306.20569	7.5
318.94504	0.4
324.21646	22.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.2893
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	1.4
56.05036	1.0
57.07080	1.6
62.06111	0.6
67.05489	3.3
69.07077	1.8
71.08644	0.5
71.23116	0.9
72.04520	0.8
74.06097	1.0
75.26637	0.4
79.05491	2.7
80.05022	0.6
82.06564	0.5
83.08633	1.0
84.08144	0.9
85.02912	0.4
90.41611	0.4
91.05497	1.0
93.07052	2.4
94.06583	1.0
95.04985	1.2
95.08600	3.6
96.08126	0.8
100.07623	0.6
103.05471	1.5
105.07050	1.2
107.08585	2.1
108.08124	1.4
109.10158	1.3
110.07212	0.5
110.09748	0.5
112.07592	0.7
119.08588	0.5
121.10149	1.2
122.09663	1.4
124.07581	5.2
126.09154	0.9
128.10709	1.1
131.04956	1.8
133.10139	0.6
135.11760	0.6
136.11186	2.4
137.05949	4.3
138.09152	1.4
139.09924	1.2
140.10693	1.3
141.06998	0.6
147.11691	0.6
149.13263	1.1
150.12837	0.5
151.07497	2.0
151.11124	0.4
152.10695	3.8
153.11421	1.5
154.12251	2.7
159.11754	0.5
163.07489	1.1
166.12251	0.7
167.13042	0.8
168.13780	0.8
175.07538	1.9
201.09154	1.3
205.10031	0.5
206.18919	0.7
218.07262	0.7
220.20546	0.7
225.05470	1.0
226.21648	1.4
227.07014	0.6
233.09616	0.9
234.22096	2.0
237.09129	0.9
240.07802	2.2
250.14420	0.9
250.21573	5.9
252.00740	0.4
252.23105	0.7
253.04877	1.0
254.09393	1.1
265.08627	0.9
265.12155	0.8
268.07306	4.7
270.08820	0.5
278.08960	0.6
278.24689	2.7
279.10150	0.5
280.26315	100.0
281.26633	7.5
282.09033	1.0
282.27911	1.2
283.09628	14.6
293.11530	2.1
297.11166	4.5
306.24255	1.4
324.09332	1.0
324.18011	1.8
324.25601	3.6
324.28906	76.7
325.14264	9.6
325.21420	0.8
325.25610	0.6
325.29279	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	324.1797
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	2.1
59.05008	1.3
59.78199	0.9
60.91846	1.1
61.64558	1.1
67.05479	3.0
69.03400	3.0
69.07047	3.2
69.39983	10.3
70.06573	1.5
79.05484	2.5
79.63343	1.2
81.07046	4.8
82.70889	1.1
83.08604	1.6
83.70238	1.0
84.08122	2.6
85.02889	1.5
86.09670	1.3
91.05470	2.9
93.07020	3.4
95.04948	1.3
95.06017	1.2
95.08585	3.2
97.02900	1.2
97.06566	1.6
105.07005	2.6
107.08617	1.3
108.08869	1.0
109.10134	2.7
110.07140	4.2
117.07006	2.6
121.06538	1.5
121.10123	1.8
128.06168	1.5
129.06975	1.2
133.10089	1.0
135.07999	1.7
145.06474	2.3
152.05658	5.3
153.64247	1.1
157.10153	1.0
159.07990	3.0
161.05949	3.8
161.09589	2.8
173.05940	7.4
175.07465	5.0
176.78328	1.1
187.07538	8.2
188.08023	1.1
189.09067	2.1
191.07024	5.5
203.07005	17.3
203.10672	1.8
203.14204	1.1
205.08580	11.2
211.11172	1.5
215.06984	22.2
217.08374	1.5
219.06497	1.5
221.08047	58.7
222.08437	1.4
229.12190	6.3
231.10182	1.3
231.13759	3.7
232.17784	1.4
233.08052	38.4
235.09540	1.6
239.10628	2.0
242.09344	1.3
244.99469	1.2
247.13234	1.5
251.54112	1.3
257.11679	17.1
257.14166	1.8
261.27286	1.0
264.19638	2.1
275.12735	63.2
276.12961	2.3
278.22137	1.2
293.13776	100.0
294.14136	2.8
324.22260	4.3
324.25943	2.1
325.24966	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.1468
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.6
54.10317	2.5
55.05508	11.2
56.05032	4.8
57.03427	2.6
60.04517	14.3
67.05490	16.1
69.03423	9.7
69.07058	6.4
69.87866	14.7
69.97625	2.6
70.06577	19.7
71.04980	52.6
72.08148	12.0
74.06078	13.2
76.02216	3.7
79.05472	31.3
81.03419	3.4
81.07041	35.4
83.04972	9.5
84.04491	5.9
84.08115	15.4
85.02900	18.1
85.06541	20.5
86.06067	8.4
86.09695	9.7
91.05476	11.1
93.07011	13.3
95.08612	11.7
97.02902	10.4
97.06518	11.5
97.10166	11.3
105.00082	3.7
107.04942	9.9
107.08576	58.0
110.07172	5.0
111.04436	3.5
113.07150	3.2
113.09611	3.0
119.04964	6.4
120.08083	46.0
121.10123	27.9
122.02742	7.5
125.06007	6.5
125.09628	44.2
127.03898	8.5
127.07555	6.6
129.05467	4.9
129.10229	6.6
131.08115	21.5
136.07619	4.2
137.09514	3.2
139.11172	11.4
143.07022	5.1
143.10651	40.8
145.04964	6.7
149.09587	21.4
150.05496	22.8
159.07607	17.9
162.05478	42.3
163.03882	100.0
166.08611	23.6
167.10634	33.5
185.11714	79.4
203.12776	17.9
242.13684	2.8
243.10240	3.3
307.11987	32.2
324.14737	54.6
324.18292	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	323.2575
Annotation	12S-HETrE
Peak:m/z	Relative Intensity
52.73815	1.6
53.03920	3.4
55.01848	2.0
55.05505	23.3
56.96547	5.3
57.03426	10.2
57.07085	7.5
59.04987	3.2
59.09855	1.5
60.57302	1.4
67.05155	2.7
67.05492	32.5
69.03413	13.4
69.07056	77.8
69.23930	1.4
69.49745	13.1
70.06567	3.5
71.04982	9.8
71.08615	3.3
71.95217	1.6
75.77547	1.5
79.05482	32.6
81.03396	3.0
81.07045	79.6
83.04966	5.3
83.08617	10.3
84.08124	3.2
85.02879	4.3
85.06517	6.7
86.09682	1.9
87.04431	2.2
91.05470	17.0
93.07027	91.2
94.07389	2.3
95.04946	17.3
95.06106	1.8
95.08591	100.0
97.02873	1.8
97.06512	14.3
97.10158	8.1
98.20760	3.3
98.97585	7.6
99.08076	5.2
105.07012	22.8
107.04949	2.8
107.08579	35.8
109.06480	14.7
109.10130	36.2
110.07156	2.8
111.08050	9.2
111.11708	9.8
116.98595	3.4
117.06989	2.9
119.08567	18.6
121.06490	2.4
121.10123	85.5
123.08051	11.4
123.11690	20.5
125.09606	12.0
129.06985	2.2
131.08540	11.4
133.10100	11.7
135.11665	9.3
137.09619	9.6
137.13219	9.5
139.11148	24.1
141.09061	2.1
143.08542	2.1
145.10115	3.3
147.11671	9.4
149.09587	15.8
149.13245	8.8
151.11197	3.6
152.05611	2.1
153.12677	4.4
155.10623	7.8
157.10130	2.7
158.99623	2.4
159.11678	6.3
161.09627	2.8
161.13234	5.9
163.11188	2.7
163.14832	2.3
165.12712	6.8
167.10651	41.1
167.14284	2.7
169.12187	1.6
173.13216	2.4
175.11197	2.8
175.14812	4.0
177.00621	3.0
177.12700	1.5
177.16370	3.6
179.14389	2.1
181.12215	3.0
185.11726	3.6
185.13295	2.9
187.14851	2.2
189.16382	3.1
190.11090	2.5
193.15836	2.1
199.11702	3.1
203.18025	1.9
207.17445	2.1
213.16405	3.8
231.17377	2.9
243.10201	2.3
244.99709	3.5
259.24225	2.7
261.11203	5.3
261.22128	1.9
269.22638	5.6
283.06503	2.3
287.23618	9.5
292.14142	2.0
292.87656	1.8
305.24701	31.6
316.10327	1.6
323.18808	2.8
323.25772	76.3
324.22507	3.4
324.26166	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	323.2213
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.7
55.01860	5.8
55.05257	1.7
55.05504	24.1
57.03429	18.0
57.07055	3.3
64.38301	1.3
65.03918	2.5
67.05495	58.4
68.05798	1.6
69.03422	3.7
69.07059	41.0
70.06596	1.6
71.04973	2.5
71.08627	1.7
71.63198	1.5
71.97549	1.4
72.08137	1.8
73.03685	1.6
79.05484	47.8
79.05952	2.3
80.46007	1.6
81.03393	2.1
81.07045	57.1
83.04961	4.0
83.08605	17.9
84.08116	2.1
84.93110	1.2
85.06523	3.8
91.04887	1.6
91.05467	43.4
93.07030	50.8
95.04962	9.5
95.08596	36.0
95.09115	0.7
95.09217	1.3
97.06526	12.8
97.10175	2.4
99.08092	5.1
103.03953	2.2
105.07014	39.6
107.02368	1.1
107.04968	2.2
107.08585	28.0
109.06511	4.9
109.10146	23.6
111.08082	8.3
113.06001	1.5
115.05375	1.4
116.98539	1.6
117.07001	8.8
119.08560	38.4
121.06484	1.5
121.10130	26.5
121.11002	1.8
123.08063	4.0
123.11689	6.7
125.09625	3.0
128.06229	1.6
129.05463	2.2
129.06982	6.9
131.08566	12.7
133.10110	49.2
135.08029	6.0
135.11665	25.9
137.06049	1.5
137.09583	14.6
139.11153	3.9
142.07803	2.0
143.07008	9.1
143.08536	9.0
145.10118	14.6
146.86414	1.4
147.08029	2.5
147.11668	38.1
149.09593	4.2
149.13268	2.4
151.11165	5.7
153.09084	1.5
153.12733	1.6
157.10118	11.0
159.11656	7.5
161.09546	4.0
161.13254	4.9
163.11221	3.8
163.14670	1.6
165.09181	1.6
165.12761	2.8
171.11662	14.1
173.13257	3.7
175.11102	2.1
175.14708	2.4
179.10553	2.1
185.13243	4.1
187.14818	4.2
189.00630	2.2
189.12720	2.6
189.16356	11.7
203.14288	3.4
203.17917	14.5
213.16350	29.9
215.17857	1.5
221.19102	2.5
225.14732	2.1
231.17403	41.0
237.74307	1.6
249.18492	12.8
305.10455	2.1
305.21088	10.7
323.22153	100.0
324.22476	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	323.2211
Annotation	Rapanone
Peak:m/z	Relative Intensity
51.50888	0.7
52.91909	0.7
53.03927	1.4
55.01865	5.4
55.05505	5.5
57.07073	4.3
65.03932	2.0
66.10105	0.7
67.05494	16.1
67.23923	0.7
69.03418	10.0
69.07059	5.3
71.01336	2.4
71.08612	1.9
71.63754	0.8
71.64156	1.3
79.05489	4.2
81.03400	3.0
81.07051	7.1
83.01302	1.8
83.04958	0.9
83.08643	3.6
84.50913	0.8
91.05453	3.8
93.03409	0.8
93.06992	3.7
95.04956	19.6
95.08585	5.2
97.02892	1.7
97.10123	0.9
99.04452	1.0
99.08065	1.0
101.02349	1.6
105.03365	1.9
105.07008	3.0
105.63773	0.7
107.04942	1.1
107.08583	1.6
109.02804	1.8
109.06493	0.8
109.10110	2.7
113.02334	0.9
117.01849	1.3
119.04897	1.6
119.08552	1.1
121.10085	1.7
123.04414	19.5
123.08019	1.0
125.02334	14.5
125.74886	0.8
127.03896	1.8
133.02826	2.5
133.06537	1.0
133.10147	1.0
135.11665	1.2
137.05983	0.9
137.23375	0.7
139.03876	6.0
143.03366	11.1
147.04385	1.5
147.08005	1.1
147.11656	0.9
151.03885	34.4
153.05482	0.8
165.05479	2.7
166.03413	0.8
166.04868	0.8
169.04948	38.6
173.07907	0.8
179.07068	1.2
213.87962	0.8
260.66336	0.8
281.77762	0.9
292.23502	2.6
305.20950	1.3
323.22104	100.0
323.27432	6.1
324.22443	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	323.2212
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34288	1.8
53.08572	2.1
55.01857	7.1
55.05501	8.5
57.03429	25.9
57.07063	3.5
61.98668	2.0
62.06081	4.5
67.05496	33.6
68.76497	2.2
69.03429	2.2
69.07048	6.6
71.04990	4.8
71.62350	3.1
71.62723	2.5
72.08138	2.7
79.05488	16.2
81.07055	22.3
83.04970	4.7
83.08604	5.4
83.86643	2.0
84.08113	2.2
85.06533	29.2
86.06933	1.9
91.05466	14.7
93.07047	17.7
95.04957	44.6
95.08609	13.9
97.06519	6.3
99.08074	2.5
105.07005	11.3
107.04946	6.0
107.08599	14.0
109.06496	26.8
109.10146	6.3
111.04425	3.1
113.05991	100.0
117.07013	6.1
119.08580	6.2
121.06494	3.7
121.10114	4.7
125.09631	3.0
129.07002	2.4
131.08563	9.0
133.10150	3.9
135.08043	22.7
135.11664	6.8
137.05928	2.5
143.08560	5.8
145.10110	6.3
146.99574	2.6
147.08015	4.8
147.11635	3.1
149.13268	3.8
157.10115	3.7
159.11700	4.1
161.05977	4.1
161.09599	5.6
163.11197	6.1
171.11542	3.4
190.39682	2.2
197.06302	8.7
217.15823	7.6
273.18484	18.4
287.19897	4.7
291.19498	51.7
305.21222	11.5
306.25131	2.6
323.12595	4.8
323.16443	3.1
323.25742	2.9
324.21689	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.221
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	2.7
55.01857	3.4
55.05503	14.0
55.27457	1.4
57.03432	8.4
57.07055	5.1
60.12981	1.0
60.36876	1.0
65.03918	2.1
67.05494	35.7
69.03407	2.0
69.07057	16.7
69.47173	3.5
69.47601	6.8
70.06573	1.6
71.04969	5.0
71.08611	1.1
79.05479	53.5
81.03391	1.4
81.07046	43.4
83.04959	4.5
83.08607	7.6
84.08103	2.7
85.02853	1.2
85.06534	7.7
87.04448	1.8
88.25671	1.4
91.05463	60.4
93.07027	67.8
94.07355	1.5
95.04964	7.1
95.06079	1.6
95.08594	31.9
97.06487	6.1
97.10166	3.2
98.21506	2.1
98.97558	2.2
99.08067	3.3
101.06009	1.2
103.05453	1.9
105.04506	1.5
105.07014	64.3
107.04925	2.7
107.08576	44.2
108.08901	1.3
109.06517	5.6
109.10130	16.3
111.08065	2.6
117.06990	15.7
119.08562	61.8
121.06506	1.7
121.10123	36.9
123.08054	3.6
123.11682	5.1
125.09598	1.6
128.06165	2.4
129.05464	5.4
129.06989	19.1
129.89532	1.4
130.07838	1.8
131.08548	23.1
133.06523	2.1
133.10107	91.4
135.08041	6.3
135.11665	33.1
137.06036	1.4
137.09601	3.4
142.07771	3.2
143.08534	16.2
145.10098	27.7
147.08005	4.6
147.11665	76.1
148.11978	1.3
149.09619	7.3
149.13237	9.2
151.11147	3.6
155.08418	1.2
157.10103	24.0
157.11223	0.9
159.11671	11.5
161.09621	6.5
161.13264	8.3
163.11200	3.7
163.14838	1.5
169.10048	1.9
171.11656	31.5
172.12143	1.5
173.13252	8.1
175.11140	8.6
175.14807	3.1
179.10583	2.2
185.13254	9.6
187.14784	10.7
189.12692	5.8
189.16364	31.2
193.12279	1.4
197.44754	1.2
203.14215	6.6
203.17899	29.4
204.18340	1.4
213.16345	71.4
214.16708	1.6
231.17398	100.0
232.17667	1.7
249.18472	17.8
264.19580	1.4
287.16605	1.8
288.75131	1.2
300.02484	1.4
305.21085	13.6
305.24661	2.1
323.19220	3.1
323.22141	56.7
324.21838	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	323.2212
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	2.0
55.01845	1.8
55.05504	14.9
57.03419	8.5
57.07061	5.6
62.41277	1.0
65.03907	1.6
67.05492	33.0
67.13451	1.1
69.03396	1.2
69.07055	13.5
69.48277	2.9
69.48704	5.3
71.04961	4.2
71.12061	0.9
72.01105	0.9
75.04445	1.5
77.03903	1.7
79.05480	48.4
81.06588	2.0
81.07046	35.8
83.04938	3.5
83.08604	7.7
84.08112	1.9
85.06517	6.5
87.04437	2.2
91.05467	55.8
93.07027	66.1
95.04958	5.8
95.08590	31.5
97.06515	5.2
97.10126	2.6
99.08083	5.8
103.05408	1.3
105.07014	64.8
107.07859	2.2
107.08573	41.1
109.06457	4.1
109.10134	12.2
111.08034	2.1
113.09650	1.3
115.05430	1.1
117.06985	10.8
119.08559	66.0
121.06451	2.0
121.10126	37.9
123.08037	1.9
123.11665	2.7
128.06192	2.3
129.05408	3.8
129.06972	15.4
130.07689	1.4
131.08551	23.4
133.10110	89.9
133.52113	0.9
134.10399	1.0
135.08087	4.9
135.10689	1.6
135.11668	29.2
137.09535	2.4
142.07733	2.7
143.08537	16.9
145.10097	28.0
147.07970	3.7
147.11662	74.7
149.09604	6.2
149.13235	7.8
151.11162	1.4
155.08609	0.9
156.09354	1.5
157.10098	21.5
159.11653	10.3
161.09529	5.9
161.13234	8.8
163.11130	3.1
165.12709	1.8
167.10583	1.3
171.10274	1.5
171.11668	28.3
173.13194	5.6
175.11151	7.9
175.14679	2.1
179.10672	1.9
184.12471	1.3
185.13217	8.6
187.14812	8.0
189.12726	5.1
189.16341	36.1
193.12213	2.2
201.83678	0.9
203.14336	6.5
203.17920	24.7
213.16351	72.0
214.16623	1.7
215.17859	1.2
231.17403	100.0
232.17661	1.9
237.20367	1.1
240.08569	1.0
245.30405	1.0
249.18478	16.3
258.47314	1.1
279.42441	0.9
305.21033	11.6
323.22028	54.9
324.22311	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	323.2211
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.2
55.01852	3.3
55.05499	13.5
57.03429	9.0
57.07058	5.5
65.03940	1.8
67.05494	30.6
68.05816	1.8
69.07059	17.7
70.06568	3.2
71.04971	4.9
71.08607	2.9
71.63166	2.5
72.93776	1.5
75.04472	2.3
79.05482	49.8
81.07043	42.1
83.04944	3.0
83.08598	7.6
84.04472	2.1
84.08119	5.9
85.06530	8.2
86.09698	2.7
91.05465	55.2
93.07026	59.5
95.04950	7.8
95.06063	4.2
95.08028	3.2
95.08586	33.5
97.06509	7.4
97.10123	3.1
98.97604	2.2
99.08041	6.1
103.05444	2.1
105.07014	69.3
107.04958	2.7
107.08579	39.3
109.06503	4.4
109.10127	12.1
110.07104	2.2
111.08091	2.0
115.05442	4.0
116.98616	1.8
117.06992	13.6
119.08561	62.0
121.06450	2.2
121.10118	37.1
123.08056	2.3
123.11685	6.3
125.09673	2.1
127.12288	1.8
128.06221	2.9
129.05470	4.0
129.06985	14.3
131.08537	22.3
133.06494	8.7
133.10114	86.6
135.08026	4.9
135.11668	29.0
137.05975	12.5
137.09619	5.1
142.07704	2.1
143.08562	14.4
145.10121	20.2
146.03557	3.7
147.08009	5.8
147.11665	74.1
149.09605	5.3
149.13235	8.8
151.11180	4.3
157.10077	19.3
159.11630	9.7
161.05957	61.8
161.09613	6.0
161.13242	9.8
162.06435	3.5
163.11151	4.7
169.03552	9.0
169.10097	2.1
171.11658	30.2
173.13220	6.5
175.11192	5.3
175.14854	4.3
185.13234	5.9
187.14807	10.0
189.12712	6.2
189.16338	30.7
191.08585	2.6
193.12138	2.0
199.07478	4.2
202.07701	14.5
203.08487	19.2
203.14323	5.4
203.17896	27.1
205.06525	4.0
212.70090	1.8
213.06955	1.9
213.16350	64.2
214.16774	2.4
215.17949	2.3
219.08040	5.3
220.08791	10.3
230.07378	2.9
231.08005	41.1
231.17407	100.0
232.08716	5.6
232.17775	2.9
247.07562	6.6
248.08299	17.4
249.18546	13.7
258.06650	2.4
259.07495	32.1
260.08231	30.8
261.08853	2.9
263.10623	15.9
276.07785	15.1
277.08670	3.2
279.26270	4.2
283.06116	11.5
291.10095	84.6
292.10486	8.3
301.07358	3.2
305.17612	4.0
305.21100	11.0
305.24481	3.5
308.10355	5.8
323.09177	4.3
323.12747	63.7
323.16611	2.8
323.22195	53.4
323.28329	2.7
324.12900	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.221
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	31.4
57.03408	13.5
66.59980	5.4
67.05497	48.0
69.03414	7.9
69.07065	49.1
70.06563	8.8
71.04962	10.1
71.20571	18.8
73.12889	6.6
79.05478	60.1
80.71097	5.8
81.06580	8.5
81.07042	94.9
82.47918	5.7
83.04955	7.5
83.08593	16.9
84.08121	10.5
85.06527	15.3
91.05459	60.4
92.13680	6.3
93.07028	95.0
95.04939	10.4
95.08598	73.0
97.06481	8.0
97.10124	10.1
105.07020	75.4
107.08585	62.0
109.06487	14.6
109.10114	29.0
111.08067	10.7
111.11735	9.9
113.69540	6.0
117.06993	7.3
119.08567	61.9
120.02566	6.9
121.10125	71.9
123.08005	10.8
123.11666	12.0
126.65355	6.4
128.06198	6.1
129.06996	16.3
131.07678	6.6
131.08469	29.9
133.10112	100.0
135.08012	9.4
135.11638	31.2
139.11107	11.6
143.08511	14.3
145.10098	23.6
147.11655	62.9
149.09586	7.3
149.13249	12.3
152.05583	8.3
152.63968	5.9
157.10118	22.8
159.11684	11.1
161.13225	13.5
163.11189	8.9
167.10643	18.1
171.11629	22.0
187.14737	11.2
189.16345	26.6
203.14272	6.9
203.17880	26.0
204.57829	6.5
213.16368	63.7
215.06935	11.1
231.17360	92.5
246.32086	6.7
249.18457	16.0
264.19611	9.4
278.69345	6.4
305.21024	15.3
305.24554	12.3
323.18439	11.3
323.22208	65.1
323.25665	14.0
324.22180	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	323.221
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	3.7
55.01863	2.6
55.05504	16.1
56.96553	3.0
57.03419	6.8
57.07061	4.0
67.05494	27.7
69.03429	2.8
69.07066	15.1
71.04980	6.0
71.06740	4.3
71.08606	2.0
75.04465	2.4
76.54485	1.4
79.05479	57.4
81.07047	38.7
83.04968	4.8
83.08599	6.0
84.08144	2.1
85.06526	6.9
91.05466	52.2
92.68922	1.4
93.07033	64.0
95.04955	5.1
95.06084	1.6
95.08590	30.3
97.06516	2.5
97.10143	3.7
99.08088	7.1
103.05441	13.7
105.07015	63.0
107.04931	9.6
107.08579	36.9
109.06499	3.7
109.10136	12.2
117.07005	10.7
119.08571	57.5
121.06526	3.5
121.10126	36.4
123.08072	2.4
123.11681	3.3
128.06219	2.1
129.05489	4.5
129.06976	11.7
131.04929	4.0
131.08553	25.5
133.10114	91.4
135.08047	3.4
135.11662	31.1
137.09602	2.1
142.07726	2.5
143.08575	12.0
145.06407	1.8
145.10110	25.8
147.08018	3.0
147.11678	68.3
149.09602	5.8
149.13275	6.3
151.11162	2.3
157.10088	21.0
159.11662	13.0
161.09628	4.3
161.13246	6.6
163.11208	3.0
171.11668	24.6
173.05965	2.0
173.13271	5.2
175.11157	6.9
175.14880	2.6
176.14322	22.8
185.13171	10.4
187.14703	7.7
189.12779	5.5
189.16376	28.8
203.14337	5.7
203.17926	23.8
213.16354	65.2
214.16632	2.5
215.10614	1.7
215.18010	1.9
231.17404	100.0
232.17647	2.2
243.10136	2.4
249.18579	15.1
259.04562	4.7
261.11285	4.6
269.10501	4.4
277.05579	8.6
279.12189	14.3
280.22742	2.8
295.06647	4.7
296.06802	1.7
300.07108	10.1
301.07492	2.0
305.17514	5.5
305.21103	11.5
323.22177	59.9
323.25977	2.9
324.19507	63.0
324.25449	3.1
333.17331	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2211
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.0
55.01853	2.6
55.05508	13.9
57.03433	12.5
57.07062	3.0
67.05499	31.4
69.07071	14.1
70.56889	2.1
70.75379	6.2
71.04972	6.6
71.08620	2.3
72.08112	2.5
75.04467	2.2
79.05479	60.1
81.03395	3.1
81.07051	43.9
83.04953	3.7
83.08607	11.9
84.08133	4.1
85.06527	10.0
91.05471	59.7
93.07032	64.7
95.04954	7.1
95.06073	4.6
95.08601	34.4
97.06523	6.7
97.10146	5.6
99.08084	4.7
104.42186	1.7
105.07014	83.0
107.08578	40.1
109.06517	5.7
109.10126	14.6
111.08105	2.0
113.07132	4.9
115.05443	4.4
117.05447	2.1
117.07001	11.3
119.08559	53.9
121.06514	3.5
121.10122	32.5
123.07977	3.1
123.11692	2.5
123.26395	2.1
128.06155	3.1
129.05511	3.9
129.06989	16.2
131.08549	25.5
133.06427	2.5
133.10112	100.0
134.10425	2.1
135.08040	6.4
135.11674	33.7
137.09584	2.2
141.06792	2.2
142.07799	2.6
143.08508	14.3
145.10117	29.3
147.06856	2.2
147.07983	3.4
147.10472	4.0
147.11667	80.8
148.11972	2.0
149.09618	8.1
149.13222	7.4
151.11180	3.3
157.10127	18.0
159.11639	13.9
161.09589	3.5
161.13249	8.0
163.11145	3.8
170.10867	2.4
171.11646	29.5
173.13272	4.6
175.11185	7.9
175.14815	5.1
178.22711	2.0
181.50070	1.8
185.13193	9.0
187.14804	12.0
189.12735	7.5
189.16362	34.7
203.14301	7.1
203.17928	29.5
209.10480	2.1
213.16360	81.6
219.08089	5.0
231.17413	95.4
232.17755	2.5
235.07285	2.7
247.07317	3.0
249.18526	20.6
259.04633	10.7
259.07104	2.5
260.04749	2.0
277.05399	11.1
278.05920	2.2
280.26324	6.1
282.05960	4.0
291.10168	9.0
295.06589	6.6
300.07187	13.4
305.21106	17.4
323.09039	11.4
323.12506	3.6
323.22034	56.7
323.26886	10.3
324.28842	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	323.2212
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01843	6.5
55.05499	23.5
57.03429	52.0
57.07061	4.8
57.07502	1.8
58.00961	1.7
65.03896	2.5
67.05492	49.1
69.03410	2.9
69.07059	23.5
70.06573	2.7
70.08682	9.9
71.04965	9.9
79.05478	56.1
81.07042	62.6
83.04976	3.8
83.08600	21.2
84.08112	7.3
85.06519	9.6
86.09672	2.3
91.04887	2.3
91.05462	59.9
93.07027	75.4
95.04967	9.3
95.06071	2.5
95.08591	51.2
97.06500	9.4
97.10143	3.9
98.97550	1.9
99.08095	12.6
105.07016	55.7
107.04902	3.2
107.08570	40.5
109.06473	7.9
109.10130	19.5
111.08075	12.6
113.05974	2.6
117.07010	15.9
119.08564	48.8
121.06503	3.5
121.10123	36.2
122.19209	2.1
123.08034	7.3
123.11662	3.4
125.09595	4.1
127.07536	2.7
128.06219	3.0
129.05518	2.1
129.06981	9.6
131.08543	28.9
133.10104	66.2
134.10535	2.1
135.08020	6.1
135.11659	22.2
137.09608	14.6
137.13206	2.1
143.08517	8.8
145.10094	20.3
147.08049	4.0
147.11667	56.9
149.09575	6.7
149.13200	10.7
151.11157	6.8
157.10095	15.7
159.11664	27.5
161.09573	5.1
161.13271	11.1
163.11179	5.0
165.12788	4.3
170.99562	2.6
171.11659	23.0
173.13213	8.8
175.11176	5.6
175.14735	9.3
177.12715	6.4
179.14284	2.2
185.13268	5.3
187.14795	4.9
189.12666	6.2
189.16341	14.1
193.15823	8.1
203.06973	13.6
203.14313	3.2
203.17979	16.8
213.16342	46.4
219.07990	4.0
231.17403	57.5
247.07394	4.7
249.18459	21.9
273.18365	2.3
300.02142	2.4
305.21011	9.1
305.24335	2.8
323.09082	3.9
323.12524	7.3
323.22095	100.0
324.22189	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	323.2212
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81816	3.3
53.03951	3.5
53.10776	3.5
53.14037	3.4
55.01861	17.9
55.05502	46.2
57.03437	20.3
57.07044	4.2
57.60503	3.5
57.65432	4.1
66.32844	3.7
67.05174	3.6
67.05499	64.8
68.42332	3.2
69.03419	11.0
69.06706	6.3
69.07059	73.4
70.06569	5.1
71.04986	11.8
71.47416	3.8
71.63197	5.0
73.45390	3.1
79.05486	48.3
79.96185	3.4
81.03407	8.3
81.07048	68.1
83.04974	8.0
83.08608	58.5
84.08131	12.1
85.06559	9.1
86.09703	12.4
91.05466	66.2
93.07028	68.1
95.04942	11.8
95.06084	8.0
95.08599	53.3
97.06482	20.8
98.97573	5.8
99.08070	7.6
105.07015	60.3
107.08577	47.6
109.06525	7.6
109.10146	35.1
111.08064	21.6
113.07172	5.2
117.07019	12.5
119.08569	55.4
121.10127	42.9
123.08026	8.4
123.11655	6.7
125.09627	3.5
128.06262	4.1
128.98650	5.0
129.06979	6.8
131.08543	23.1
131.55081	3.5
133.06491	5.2
133.10114	79.4
135.08072	6.3
135.11681	35.5
137.09616	23.8
139.11174	7.5
140.43536	3.4
143.08516	11.2
145.10101	19.8
147.08012	4.6
147.11667	45.8
149.05928	4.8
149.09596	9.6
149.13179	4.2
151.11186	14.2
153.12752	7.4
157.10118	11.7
159.11661	7.6
161.05902	4.6
161.09633	9.0
161.13246	7.3
163.11198	4.4
165.09103	3.7
165.12662	5.1
171.11594	17.6
173.13185	4.5
179.10602	6.4
185.13307	6.9
187.14809	8.9
189.16383	16.5
203.17920	14.9
213.16376	45.3
231.17453	57.1
247.17027	4.5
249.18532	21.9
278.21191	5.0
282.01178	4.9
300.02554	5.6
305.21066	9.7
305.24805	16.5
323.09161	12.2
323.22150	100.0
323.26141	9.9
324.22290	8.6
335.30444	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	323.2213
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	4.0
53.52274	2.5
55.01846	3.5
55.05508	22.6
57.03431	39.1
57.07048	4.1
67.05172	2.9
67.05496	48.6
69.03407	5.8
69.06767	2.2
69.07060	18.9
71.04963	5.6
71.62172	2.2
71.62628	2.5
79.05054	3.5
79.05483	54.3
81.04517	3.4
81.07047	56.5
83.04967	6.1
83.08614	21.4
84.08124	6.7
85.06510	7.0
87.08765	2.3
91.04895	2.4
91.05473	47.4
93.06474	4.0
93.07033	73.7
95.04932	10.7
95.08598	46.5
97.06500	9.9
97.10175	3.5
98.97568	3.6
99.08074	21.9
105.07007	48.6
107.08573	37.8
109.06477	8.6
109.10143	20.2
111.08033	7.2
115.92513	2.3
117.07004	16.6
119.08555	45.3
121.06471	2.8
121.10119	35.4
123.08035	8.2
123.11665	4.6
125.09570	4.5
127.07500	2.4
129.06969	11.5
129.10318	3.7
131.08549	19.7
133.10114	58.8
135.07944	6.3
135.11681	20.1
136.06166	2.7
137.09601	15.5
139.11113	2.7
140.10664	2.9
143.08521	9.5
145.10107	18.9
147.11671	49.8
149.09595	7.0
149.13211	7.9
151.11151	5.5
157.10173	13.3
159.11693	20.2
161.05910	3.1
161.09555	3.9
161.13206	5.3
163.11156	5.1
168.06508	3.7
171.11659	14.4
173.13239	6.9
175.11214	4.9
175.14775	11.0
177.12747	6.2
185.13232	6.7
187.14746	4.5
189.00768	3.3
189.12697	4.6
189.16324	13.4
193.15933	6.9
203.06920	2.7
203.14339	4.6
203.17943	15.2
213.16382	39.2
219.07895	3.9
231.17406	43.0
247.07373	2.7
249.18504	12.8
251.09204	4.4
264.19565	2.8
273.18427	5.4
282.01468	2.8
291.19275	2.5
300.02390	5.9
305.17685	3.3
305.21017	8.4
323.12631	3.2
323.22070	100.0
324.21814	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	323.1597
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03907	1.2
53.31738	1.1
55.05500	1.8
56.05035	1.5
56.96556	9.0
57.03419	1.9
60.04511	4.3
61.02917	2.5
69.03424	6.2
69.07048	2.9
70.06584	30.2
70.11341	2.9
70.11739	2.8
71.04979	1.8
72.08136	4.8
72.43555	1.1
72.93777	1.7
73.02904	2.1
74.06068	1.7
75.04461	1.6
79.05477	1.6
81.07036	1.2
81.98486	1.1
83.04948	3.5
84.04473	4.6
84.08131	28.9
85.02896	9.4
86.06096	1.2
86.09698	9.0
87.04453	3.1
89.03894	4.3
91.05451	2.8
91.09174	1.2
93.07029	1.3
95.04951	1.5
95.08647	1.2
97.02892	6.7
97.06495	1.9
97.36156	1.2
98.97556	10.1
99.04435	1.9
101.06002	2.2
103.05448	5.2
107.04920	2.8
107.08533	1.4
110.07150	1.8
110.97575	2.1
112.05064	2.6
112.07591	17.4
116.07070	6.6
116.98598	9.8
117.03358	4.1
119.01791	2.1
120.08089	100.0
121.08389	3.8
122.07116	1.8
123.04409	5.1
123.05455	2.4
124.04755	1.5
127.03886	3.6
127.12320	7.5
128.98563	4.6
129.10236	5.3
131.00211	2.3
131.04956	2.8
134.99655	3.6
135.04399	8.3
136.04710	1.5
136.07561	2.2
137.05937	1.6
140.07039	2.7
143.00139	2.1
145.02843	7.1
145.04944	1.9
146.99615	3.9
149.01201	2.4
149.05992	1.9
158.08115	20.8
158.99651	3.1
161.04614	3.3
162.05469	21.3
163.03886	35.0
164.04245	4.1
166.08612	52.5
167.09013	1.6
171.84703	1.3
177.00671	4.7
179.00206	1.9
180.07600	2.0
185.01216	1.3
185.04071	1.8
189.00615	3.2
197.01199	14.3
198.01582	1.7
205.03113	1.2
215.02205	3.8
219.01730	4.6
222.04295	1.8
233.06671	1.3
234.07506	4.4
237.02730	10.0
242.07297	2.7
288.16299	1.3
291.07544	1.6
305.08560	1.3
309.08490	10.8
323.04190	5.2
323.15924	1.9
323.19232	2.2
324.09641	1.4
341.05386	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	323.1485
Annotation	Chaetoquadrin E
Peak:m/z	Relative Intensity
53.03930	1.3
55.01864	1.3
55.05505	11.5
56.05009	3.4
57.03411	1.9
57.07051	3.2
59.04980	1.2
65.03923	1.1
67.05163	1.6
67.05492	19.9
69.03402	4.6
69.07059	16.1
70.06564	3.5
70.38895	2.5
70.39287	1.9
71.04686	0.8
71.04986	8.0
71.08623	1.6
72.08109	1.1
79.05064	1.1
79.05481	15.5
81.03382	1.1
81.06582	1.9
81.07048	35.4
82.06586	4.2
83.04959	3.9
83.08602	6.6
84.08124	6.3
85.02864	1.2
85.06540	7.4
86.09693	2.0
91.05469	16.4
93.06473	1.3
93.07030	24.6
94.06528	1.3
95.04943	4.9
95.08595	27.2
96.08087	3.3
97.06490	3.7
97.10125	2.0
98.09096	1.1
98.09682	17.9
99.08061	1.8
100.07590	1.6
105.06380	1.4
105.07019	17.0
107.04957	2.5
107.08586	14.6
109.06478	3.3
109.09462	1.1
109.10150	15.7
110.05995	1.0
110.09693	5.8
110.10332	1.4
111.04391	2.0
111.08075	7.9
111.11716	1.2
112.07549	0.9
112.11211	1.0
115.05413	1.2
115.66053	0.9
116.98573	1.8
117.07010	2.2
119.08564	15.6
120.85927	0.8
121.06458	1.6
121.10138	10.0
122.06030	0.9
122.09618	2.4
123.07986	2.7
123.10432	1.3
123.11692	8.1
125.09621	2.0
127.11116	0.9
127.12266	1.2
127.98761	0.9
128.06195	2.5
128.07054	2.7
129.06982	1.4
131.08566	4.5
133.06416	3.9
133.10121	9.8
135.04305	1.5
135.08003	1.7
135.11649	7.0
136.11166	1.8
137.05980	4.1
137.09596	2.8
137.13190	2.7
139.11136	1.3
141.06921	1.5
143.08511	3.8
145.06410	1.6
145.10027	2.8
147.04398	8.9
147.07999	2.5
147.11638	3.3
149.05930	1.8
149.09523	1.5
149.13196	3.5
150.12794	1.3
151.03835	3.3
151.07498	1.0
151.11143	2.2
153.12677	2.4
155.08511	1.5
157.06445	0.9
157.10092	1.9
159.08015	3.9
159.11647	2.7
161.05962	6.1
161.09547	3.5
161.13246	14.8
163.03889	31.5
163.11131	1.3
165.12733	1.3
167.03345	1.0
167.10654	2.1
167.14265	3.6
168.17545	0.9
171.07994	4.6
171.11578	1.6
173.05910	3.8
173.09576	5.3
174.06738	5.4
175.03899	2.4
175.14687	1.1
176.14256	1.0
176.55698	1.0
177.01891	1.1
177.08994	1.1
178.14459	1.6
178.15895	20.3
179.03357	4.8
179.14256	2.9
185.09570	1.1
185.13216	0.9
187.07535	6.5
189.05421	1.7
189.09087	37.5
190.09348	1.1
191.03400	5.7
191.06978	1.5
195.18494	3.4
196.13225	1.1
196.16957	15.0
197.05972	2.0
197.12897	1.1
199.07526	6.9
200.04709	2.0
201.05554	1.1
201.09113	4.5
203.06926	3.6
205.08568	9.7
215.07014	24.4
215.10472	1.2
215.14244	2.6
217.08591	29.3
226.14360	1.6
227.06947	2.9
229.08527	1.8
231.06454	3.4
233.08034	7.0
235.09618	30.2
239.06964	1.2
241.12268	4.5
243.10173	2.3
243.13783	10.4
245.08000	4.0
247.09589	1.1
248.08228	1.4
249.07545	4.5
251.09059	7.2
254.09171	1.0
259.13232	9.5
261.11206	2.7
261.14749	10.7
263.09100	68.7
264.09357	1.3
269.11722	17.0
269.22540	1.6
277.14261	3.1
279.12228	5.2
287.09607	1.1
287.12750	20.3
287.20889	1.8
287.23718	1.9
288.19534	1.7
291.10168	5.0
305.13815	53.2
305.22021	34.1
305.24615	3.1
306.14157	2.7
323.14996	65.0
323.23148	100.0
324.15012	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1484
Annotation	Chaetoquadrin E
Peak:m/z	Relative Intensity
52.71446	0.7
55.05485	3.2
57.07053	2.7
59.04980	1.9
62.11105	0.8
64.16289	0.8
67.05495	5.2
69.03417	6.9
69.07054	9.4
69.29082	6.4
69.29500	3.1
71.04986	4.6
79.05468	3.7
81.06628	1.3
81.07050	13.9
83.04961	1.2
83.08589	1.9
84.08138	1.1
85.06524	2.3
91.05466	4.0
93.07027	7.7
95.04941	3.4
95.08590	9.6
97.06498	2.2
100.45203	0.9
105.07024	7.2
107.04913	3.5
107.08565	5.5
109.06483	3.4
109.10138	5.0
111.08079	2.3
111.11709	1.7
115.05408	0.9
117.06984	1.3
118.05910	0.8
119.04943	1.0
119.08548	3.8
121.06472	0.9
121.10115	7.9
123.11694	5.5
127.11084	0.8
128.06230	1.9
129.07028	1.4
131.08519	4.8
133.06474	2.8
133.10100	3.9
135.04369	1.6
135.08070	1.1
135.11678	4.5
137.05914	1.8
137.13239	2.4
139.11180	1.8
143.08575	4.1
145.06468	3.3
145.10104	2.5
147.04379	11.7
147.08031	2.7
147.11691	2.0
149.05977	1.1
149.13226	2.0
151.03876	3.5
153.12691	1.2
159.07977	5.3
161.02348	1.0
161.05965	3.1
161.09575	4.9
161.13249	1.0
161.18369	0.8
163.03883	45.7
165.12714	1.7
167.10652	1.5
171.08041	7.1
173.06018	5.2
173.09550	6.6
174.06732	8.2
175.03940	3.4
175.07558	1.8
177.01848	2.7
177.05573	1.1
177.09187	1.1
179.03336	6.7
179.06914	1.6
181.12140	1.7
185.05949	2.1
187.07518	8.9
189.05418	4.0
189.09090	48.5
190.09401	1.4
191.03387	7.7
195.11847	1.0
197.05954	3.6
198.06750	1.0
199.07542	8.4
199.11116	1.1
200.04683	3.3
201.05392	1.6
201.09074	6.2
203.06998	4.2
205.08540	8.4
207.10063	1.8
213.05522	1.2
213.12643	1.1
215.05379	0.7
215.07010	33.2
215.10605	2.8
215.14346	2.8
217.08586	40.5
218.08801	1.1
226.06149	1.4
227.06992	3.9
227.10663	2.0
229.08701	1.3
231.06526	4.0
231.13890	1.0
233.08058	11.7
235.09631	38.9
236.10252	1.4
239.07025	2.1
241.12241	5.5
243.10114	4.1
243.13802	13.9
245.08101	5.0
249.07547	7.6
251.09026	10.3
254.09346	3.0
259.13306	13.6
261.11252	2.4
261.14850	13.6
262.15088	1.2
263.09116	99.7
264.09378	2.4
269.11697	23.1
277.14255	5.4
279.12213	9.2
287.09500	1.6
287.12726	25.5
287.23569	1.5
288.12848	1.1
305.13803	71.4
305.24716	5.8
306.14151	2.7
323.14865	100.0
323.25543	5.6
324.15247	4.1
324.22766	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1273
Annotation	4''-Deoxyterphenyllin
Peak:m/z	Relative Intensity
55.01854	1.3
55.05500	1.5
57.03422	1.6
57.07040	0.4
64.45137	0.4
67.05499	3.0
69.07054	2.5
69.87262	2.7
71.04977	0.5
76.81250	0.4
79.05486	4.8
81.07040	4.6
83.08602	1.2
83.88220	0.4
84.04493	0.5
84.08117	1.0
85.06535	0.8
86.09694	0.5
91.05464	6.1
93.07028	4.9
94.04146	0.8
95.04948	1.5
95.08604	3.3
97.06514	0.8
97.10112	0.6
103.05476	2.3
105.07014	15.9
107.04912	1.0
107.08576	4.1
109.06488	2.3
109.10147	2.1
111.08068	3.2
115.05422	3.2
117.06995	1.6
118.04137	0.6
119.08571	5.0
121.10130	3.4
122.03632	1.5
123.07998	0.6
123.11687	1.4
128.06197	1.0
129.06995	1.1
130.04137	0.8
131.04907	1.4
131.08527	2.1
132.05685	0.6
133.06470	6.4
133.10106	6.6
135.08067	0.6
135.11642	2.2
137.05954	26.1
139.05531	0.5
140.71429	0.5
141.06931	0.7
143.04906	0.6
143.06013	0.6
143.08530	1.8
145.06487	0.6
145.10098	1.9
146.03615	4.5
147.04376	1.4
147.07979	0.9
147.11671	6.0
149.05963	1.6
149.09587	0.8
149.13231	0.9
156.09294	0.4
157.06531	0.5
157.10103	1.6
159.08076	0.9
159.11658	1.2
160.05157	0.6
161.05954	68.2
162.06662	2.7
165.06975	0.7
167.04881	0.9
171.08070	1.0
171.11670	2.1
175.07489	2.1
175.11118	0.9
177.05475	1.1
178.07779	1.0
184.05170	2.1
185.05919	0.7
185.13179	0.7
187.14734	0.8
189.06905	1.2
189.16365	2.7
191.08551	2.4
192.09258	2.4
199.07501	11.4
202.07735	17.2
203.08517	27.6
203.17987	2.0
204.09238	2.1
205.06476	2.6
205.08061	0.5
205.10097	0.8
206.07278	0.5
213.06978	0.8
213.16373	5.8
215.08543	1.9
217.06404	0.8
218.07396	0.9
219.07994	9.1
220.08798	9.8
221.05885	0.6
221.09438	0.7
222.06813	0.6
229.06387	0.4
230.07211	4.6
231.08017	41.9
231.17381	7.1
232.08740	9.7
233.05994	1.2
233.09453	1.4
234.06653	1.0
235.07458	1.2
235.11145	2.5
237.09132	0.6
241.06395	0.6
243.08005	1.2
245.09592	1.6
247.07497	7.9
248.08296	22.7
249.08995	3.2
249.18484	1.1
258.06754	4.5
259.07504	36.9
260.08267	25.7
261.05508	0.6
261.08939	2.6
262.09842	1.8
263.10638	19.7
264.11115	1.2
265.08594	2.6
273.08936	1.3
274.09888	0.6
275.06931	4.3
275.09961	0.5
276.07761	18.6
277.08487	5.0
279.10193	0.5
280.10886	0.6
290.09247	0.9
291.10101	100.0
292.10666	9.5
293.07986	4.2
295.13211	3.2
305.21088	1.7
305.24484	0.8
307.09442	0.7
308.10388	4.0
323.12714	73.1
323.22046	3.2
324.13095	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	323.0397
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99003	0.8
56.96564	4.9
63.06572	0.8
63.27855	0.9
70.66100	1.7
71.25103	0.8
98.97571	70.6
116.98608	52.8
119.01949	0.9
134.99641	23.4
135.00638	1.5
140.00201	2.4
153.00752	3.7
158.01259	1.0
161.03069	1.3
177.00914	0.9
211.35411	0.8
219.02060	3.5
221.01845	0.9
240.98605	5.6
254.95493	0.9
257.97580	1.0
258.99734	56.9
259.99899	4.1
261.03128	1.4
276.29495	0.9
277.00784	100.0
278.00989	6.2
282.01328	1.7
282.96317	1.5
283.00037	1.7
295.01816	1.2
300.02481	2.9
300.18558	1.4
300.97641	2.0
301.01114	2.7
340.95731	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1272
Annotation	4''-Deoxyterphenyllin
Peak:m/z	Relative Intensity
53.03929	1.2
55.01863	1.3
55.05508	1.8
57.07064	1.7
67.05489	3.1
69.07059	2.6
70.17246	1.0
70.68436	0.8
71.04993	1.0
71.53888	0.8
71.63225	1.5
73.69750	0.8
77.91164	0.9
79.05481	7.3
81.07048	6.6
83.04971	0.9
83.08602	1.7
84.08136	1.3
84.73559	1.0
85.06555	0.9
89.03894	1.8
91.05463	7.5
93.07031	6.2
95.04964	1.1
95.06063	1.3
95.08590	3.4
97.02893	0.9
97.06519	1.1
97.10181	1.0
97.40179	0.8
102.04675	2.7
103.05469	6.9
105.07017	27.4
107.08582	2.5
109.06511	3.1
109.10150	1.7
115.05441	27.0
117.03386	1.1
117.07038	4.3
119.04907	1.0
119.08565	2.9
120.31946	0.8
120.32819	0.8
121.06467	1.3
121.10140	1.9
123.04410	1.1
123.08061	0.8
123.11690	0.8
128.06183	1.6
129.06978	1.9
130.04137	3.5
131.04892	10.0
131.08607	1.7
133.06473	22.1
133.10152	2.7
137.05936	5.3
143.06032	4.1
145.06458	1.5
145.10211	1.2
146.07257	9.9
147.04404	3.4
147.11682	3.2
149.05962	23.8
149.13242	1.0
159.08043	2.0
160.05222	3.6
161.05965	35.4
161.15549	1.0
162.06764	5.0
163.11179	1.2
163.59889	0.9
165.06993	2.1
171.08031	3.6
177.05457	18.4
177.07014	0.9
179.08521	1.5
180.47597	1.1
189.06985	2.5
190.07718	2.3
191.08501	5.2
199.07539	9.1
202.07729	7.2
203.08548	13.0
204.09149	1.4
205.06453	5.6
206.07407	1.4
207.08037	2.9
213.16394	1.5
217.06487	1.4
218.07236	2.0
219.08023	12.5
220.08789	4.7
231.08034	21.0
231.17395	2.4
232.08742	2.9
233.05998	5.4
234.06746	4.3
235.07541	6.6
236.07997	1.0
237.09058	1.3
246.06644	1.1
247.07478	7.3
248.08276	7.3
249.09100	1.5
259.07489	16.0
260.08273	2.5
262.06268	3.4
263.07028	3.0
263.10669	8.4
265.08545	2.0
267.10220	1.3
276.07681	4.7
277.08569	6.4
287.20093	1.6
291.10107	100.0
292.10550	6.3
295.09598	4.3
295.13293	6.6
305.21045	5.9
308.10040	1.0
316.73203	0.9
323.09079	28.9
323.12808	32.2
323.18634	1.3
323.22101	7.4
323.27301	4.6
324.09641	2.1
324.13080	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.2734
Annotation	alpha-Linolenoyl Ethanolamide
Peak:m/z	Relative Intensity
51.13188	0.3
52.13182	0.2
53.03929	0.4
55.01854	0.3
55.05490	0.7
57.07054	0.5
59.00595	0.3
62.10767	0.3
67.05490	1.6
68.92236	0.2
69.07045	0.5
70.06557	0.5
70.69801	0.9
71.04991	1.4
71.05316	0.3
72.04494	1.0
79.05467	0.7
80.05001	0.3
81.03391	0.4
81.07016	1.1
82.06551	0.5
83.04974	0.6
91.05461	0.4
93.07021	0.3
94.06539	1.8
95.04932	0.3
96.04473	0.3
96.08083	0.4
98.06057	0.3
105.06980	0.3
107.08571	0.4
108.08076	0.9
110.06027	0.9
110.09673	0.3
113.05893	0.3
122.06030	0.3
123.06817	0.4
124.07563	1.8
126.05517	1.0
126.09092	0.4
127.34259	0.3
128.07100	0.5
136.07573	1.5
138.09099	0.8
149.02274	0.5
152.07022	1.2
153.07858	0.9
154.08600	19.1
155.08894	0.5
168.10252	0.3
174.18069	0.3
178.32420	0.3
182.11742	0.3
264.28137	0.3
304.26190	0.4
322.27350	100.0
323.24048	0.5
323.27664	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	322.2219
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	2.1
55.01855	3.4
55.05501	14.9
57.03427	7.0
57.07063	3.1
65.03928	2.2
66.52921	1.6
66.59608	1.8
67.05495	50.5
69.03429	3.8
69.07056	26.8
70.06570	10.1
70.07396	2.7
71.04978	5.8
71.62253	2.3
72.08142	3.0
79.05478	31.0
80.05807	2.8
81.03407	3.8
81.07046	95.7
82.07390	3.0
83.04974	9.1
83.08603	17.9
84.04498	6.0
84.05296	2.7
84.08144	10.1
85.02908	2.8
85.06530	5.7
86.09695	6.4
86.67873	1.9
91.05462	24.9
92.05807	1.9
93.07030	59.8
94.07337	3.8
95.04952	15.6
95.08595	28.7
96.05278	2.5
97.02863	2.0
97.06511	13.7
97.10191	2.6
98.97610	3.2
99.08088	5.2
102.05503	2.4
103.05428	3.2
105.07021	19.4
107.04969	6.4
107.08579	30.1
108.08891	3.4
109.06493	10.0
109.10136	13.9
111.08062	12.3
117.06993	12.4
119.04913	1.6
119.08559	9.4
120.08089	3.9
120.08889	3.3
121.06469	4.5
121.10130	16.8
122.10517	2.5
122.47154	1.6
123.04440	2.2
123.08082	2.8
123.11693	15.2
125.05992	2.9
125.09510	1.7
127.03824	2.3
127.12266	2.3
129.06996	3.4
131.04941	5.2
131.08525	14.8
132.08945	2.6
133.06490	4.1
133.10127	20.2
135.08037	7.6
135.11662	17.5
137.05963	19.9
137.09589	3.1
137.13242	2.4
139.11176	2.4
145.10086	3.7
147.08046	3.8
147.11670	6.9
149.05937	2.5
149.09581	4.0
149.13257	27.4
151.11163	6.3
153.09131	2.1
153.12724	4.0
155.08488	2.0
157.10065	2.2
159.11656	26.4
159.12851	2.6
161.05959	11.6
161.13245	5.1
162.94142	2.0
163.07564	7.1
163.11206	1.7
165.09081	5.2
167.14185	2.3
173.13240	2.4
175.07596	2.9
175.14844	1.7
177.12718	44.9
178.11394	1.9
179.14330	11.2
191.14520	2.1
193.08504	8.8
195.13777	15.9
197.04585	2.6
199.07579	4.7
199.09549	3.2
201.12802	2.6
202.07768	5.6
203.08565	6.3
209.08130	5.1
211.09529	2.6
213.14841	6.2
219.07927	2.2
229.12201	2.3
230.06732	1.9
231.07928	11.1
237.07501	4.0
247.07149	2.6
247.13322	2.1
248.08366	6.9
251.16559	2.8
255.08546	8.7
259.07419	6.6
263.10846	4.1
269.17435	100.0
270.17761	2.9
273.09482	2.2
276.07941	4.1
277.08557	2.2
287.23892	2.2
290.09100	2.9
291.10016	16.4
292.10910	1.9
293.08032	3.2
299.06250	2.2
304.15680	2.6
304.23438	3.1
305.15009	2.8
305.24771	5.7
306.13364	3.8
307.09390	4.2
308.10306	2.2
322.11768	7.0
322.20984	2.8
322.24597	6.4
323.08817	4.9
323.12668	30.6
323.16037	3.3
323.25876	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	322.1855
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	7.9
62.06075	10.9
67.05486	13.3
69.03413	10.0
69.07047	28.5
70.06577	97.0
71.04967	24.9
71.62788	10.0
72.08144	51.2
79.05466	22.3
81.07030	37.9
83.04962	19.5
84.04491	15.0
84.08127	55.0
85.02901	18.9
85.06503	11.3
86.09703	46.0
91.05470	22.2
93.07029	32.9
95.04948	44.4
95.08582	13.8
97.06509	24.0
98.09673	7.4
99.04449	14.5
103.05414	6.5
105.07009	24.2
107.04922	16.5
107.08578	27.6
109.02832	9.5
109.06497	12.2
110.07172	8.3
113.05960	7.2
115.05385	7.7
118.08652	10.9
119.04929	7.6
119.08505	16.6
120.08099	100.0
121.10120	36.7
125.05963	38.5
126.09142	11.7
127.07494	12.4
129.10237	17.8
131.08540	17.2
133.10095	9.8
135.11653	7.3
136.07544	11.7
137.05905	14.2
138.93060	7.2
139.11153	15.8
143.07021	69.7
145.02843	8.9
145.10107	59.9
146.35229	7.0
155.07004	15.1
159.11702	19.4
160.13269	12.1
161.06000	9.3
163.11169	21.5
173.09560	23.6
177.10179	31.6
177.12697	6.6
179.03352	12.4
181.12265	30.8
187.11179	31.3
191.10609	31.0
192.36017	7.3
194.05731	8.3
199.13258	22.7
203.08655	7.7
205.12241	38.3
209.11748	37.2
209.13672	8.1
215.10651	23.1
231.08133	11.1
233.11665	37.5
235.22545	7.0
246.14943	26.0
251.12740	58.3
269.13843	77.8
286.12613	9.0
287.14835	21.1
291.10031	13.7
304.15421	15.2
322.15909	10.3
323.09161	10.6
323.12729	31.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.1491
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.5
55.01850	4.4
55.05504	10.3
57.03421	6.1
59.00609	1.3
62.89475	1.4
67.05501	12.8
69.03413	7.8
69.07061	8.7
69.31808	14.2
70.06587	9.0
70.07386	1.5
71.01315	1.4
72.08154	2.1
73.02896	1.3
79.05484	18.2
81.03398	2.2
81.07040	32.2
82.07390	2.6
83.04962	4.0
83.08599	3.0
84.08133	8.7
85.02892	6.7
86.09686	5.2
91.05457	12.4
93.07027	9.9
94.06578	7.9
95.01305	11.8
95.04949	10.7
95.08581	5.7
97.02875	2.4
97.06513	16.2
98.21522	2.6
99.08127	1.2
100.07528	1.7
100.11244	4.2
103.05405	1.9
103.49957	1.3
105.07030	6.4
107.04934	9.0
107.08571	5.7
109.06503	19.6
109.10107	3.7
110.05957	1.9
111.04440	2.7
111.08055	3.6
113.02336	2.9
113.05972	1.5
117.06994	4.5
119.04910	4.0
119.08565	8.4
121.06481	5.5
121.10164	3.0
122.06014	41.4
123.04407	2.9
123.11671	1.4
125.05975	3.6
127.03841	1.6
127.12301	1.3
128.07056	2.8
129.06984	1.7
131.08551	5.0
133.06464	1.8
133.10127	1.9
135.08018	6.3
135.11658	1.7
136.07513	3.4
137.05949	6.5
137.09612	2.0
138.09045	2.2
139.03867	6.2
139.07538	4.0
141.01828	2.8
141.05482	2.5
141.11501	1.8
142.64771	1.5
143.06941	2.3
145.06435	4.5
147.04312	1.3
147.08031	7.5
149.05946	5.4
151.07491	2.2
155.06979	4.2
159.02879	3.0
161.05952	2.6
163.07509	7.8
164.07016	9.3
165.05452	2.8
165.09111	14.3
166.08527	7.6
167.07008	4.1
175.07481	3.0
177.05609	1.7
179.07034	1.7
181.08557	5.6
182.08015	7.2
182.15378	2.0
183.10153	3.6
184.09630	7.6
189.05414	1.7
189.09116	1.6
191.07019	4.4
193.08569	16.1
197.04385	5.0
199.09608	11.2
204.66559	1.5
209.08047	9.0
210.14867	3.6
211.09624	12.5
211.15050	1.5
217.08479	2.1
218.66112	2.1
219.06476	1.4
227.09073	8.4
237.07559	5.5
240.67516	3.2
241.10632	1.6
241.17787	1.5
243.10147	1.6
251.08929	1.5
255.08603	100.0
256.08960	3.2
257.76382	1.3
263.09042	1.8
263.45663	1.6
273.09784	10.6
282.19339	2.8
288.12277	6.4
291.09961	3.8
299.06421	1.5
304.20355	1.5
305.14377	1.8
306.13150	7.0
322.11444	2.4
323.09073	2.9
323.12592	4.3
323.15744	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.0543
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23096	1.3
56.96075	1.3
64.23563	1.1
69.84718	4.5
69.85139	3.1
71.95849	1.0
78.82313	1.2
84.91171	14.8
89.60690	1.2
94.93000	6.7
95.82201	1.0
112.89565	2.8
114.46706	1.2
134.37511	1.0
139.91464	3.2
190.01239	11.9
220.03645	2.2
247.91263	2.7
248.89597	12.9
304.01578	1.3
308.32034	1.2
322.05457	100.0
322.11707	3.3
322.96939	2.2
323.05750	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	322.0545
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96553	2.1
58.02715	1.3
69.49687	8.2
69.50111	3.6
70.06558	1.3
76.46312	1.2
81.36372	1.4
83.23299	1.2
84.60714	1.2
84.91176	1.2
85.02871	2.1
88.04150	1.4
98.97555	2.3
101.00872	2.0
115.24248	1.3
116.02474	1.6
116.98589	2.4
119.01869	5.8
120.02014	6.1
121.01609	2.2
132.01923	2.0
133.03435	1.9
134.03540	2.7
138.02992	2.3
143.01750	1.5
149.01192	2.1
149.02974	1.4
149.76993	1.3
151.22749	1.4
161.02936	2.1
162.03040	2.5
169.99951	1.5
173.02969	1.5
174.03116	4.0
187.00851	1.9
188.00951	4.6
190.01237	15.2
192.04216	2.0
201.02275	2.2
202.02544	5.3
203.02248	2.8
211.04347	1.5
214.02367	1.7
216.00502	5.1
219.03461	3.7
220.03632	15.0
221.03195	2.5
232.03612	2.9
234.05243	1.8
248.03168	10.5
249.02664	2.1
263.00656	1.6
266.04193	2.4
284.94791	1.3
290.04211	2.0
322.05411	100.0
323.05762	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	321.2419
Annotation	11,12-EET
Peak:m/z	Relative Intensity
52.58378	0.6
53.03941	0.9
54.32759	0.6
55.01851	2.8
55.05503	7.4
56.05016	0.8
57.03417	2.7
57.07052	2.4
59.04995	2.0
65.03922	1.0
67.05494	35.6
68.05827	0.8
68.32833	0.6
69.03398	2.3
69.07056	17.9
69.82097	3.7
70.06570	1.9
71.04968	3.3
72.08136	1.3
73.06522	0.7
79.05484	10.8
81.03391	1.2
81.07044	25.1
82.07360	0.8
83.04961	1.9
83.08611	4.0
84.08131	2.5
85.02897	0.8
85.06521	1.8
86.09685	1.5
87.00832	0.9
87.66425	0.7
91.05462	10.1
93.07033	20.5
93.07619	1.1
94.39392	0.6
95.04963	9.7
95.08592	29.5
97.06525	3.6
97.10157	5.6
99.04452	3.0
99.08067	1.8
101.06004	1.1
105.07014	10.3
107.04969	2.0
107.08575	17.4
108.60745	0.6
109.06489	4.4
109.10141	100.0
110.07134	1.3
110.10477	2.9
111.04418	0.7
111.08077	1.8
111.11706	1.9
113.09671	1.0
117.07008	2.6
119.08568	9.8
120.08074	1.8
121.06468	1.2
121.10117	13.5
122.10413	0.9
123.08050	1.9
123.11693	8.3
125.06006	0.9
125.09624	1.3
129.07005	1.4
131.08559	6.1
133.06509	0.8
133.10101	6.6
135.08029	4.0
135.11688	6.1
137.09596	26.7
137.13237	4.7
138.09985	0.8
139.11148	6.8
142.07704	1.0
143.07034	0.9
143.08522	1.5
145.10092	10.0
147.08014	3.7
147.11688	5.0
149.09587	6.1
149.13251	2.1
151.11156	4.2
153.12646	1.6
155.10648	10.4
157.10156	1.9
159.08060	1.6
159.11682	3.7
161.09599	2.3
161.13258	2.2
163.11198	1.9
165.09088	47.7
165.12726	3.7
166.09454	1.4
166.74026	0.7
167.10654	1.6
169.10130	1.9
171.11708	0.8
173.13258	2.1
175.11243	1.6
175.14835	2.8
177.08992	1.1
177.12784	1.4
177.16376	1.2
179.10663	1.8
181.06424	1.1
181.12242	0.8
182.06750	0.7
183.10168	5.0
183.11588	1.3
185.13280	2.2
187.14781	2.7
191.17719	0.7
199.14862	1.5
201.11249	1.1
201.16420	2.7
203.17953	1.7
205.15907	1.0
207.13892	0.7
211.14865	2.8
215.17876	1.0
219.17444	0.9
229.15849	3.9
233.19102	0.8
241.19499	0.8
243.21059	2.4
246.06749	1.1
247.16910	3.2
260.16821	2.2
261.22095	2.1
275.23874	0.8
285.18701	1.1
285.22122	3.5
289.08578	1.2
302.47400	0.6
303.19653	1.9
303.23093	16.8
303.26328	1.2
304.23492	1.5
306.08908	0.8
321.11029	1.6
321.16754	3.2
321.20642	9.3
321.24252	17.4
322.20804	1.0
322.24677	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1804
Annotation	Unknow
Peak:m/z	Relative Intensity
56.47137	0.3
60.04540	0.7
63.76719	0.3
67.05497	1.0
69.07050	1.1
70.80548	0.3
70.80910	1.0
71.05011	0.3
72.04505	0.8
79.05463	1.1
81.07040	2.0
86.09692	100.0
87.10017	1.7
91.05478	1.7
92.62342	0.3
93.07020	2.4
93.72070	0.3
95.04973	0.7
95.08575	1.5
97.06529	0.4
97.10201	0.3
103.05434	3.4
105.07024	0.8
107.04930	1.5
107.08556	1.0
109.06538	0.4
109.10135	2.4
117.06987	0.4
119.08602	0.6
120.08086	95.5
121.06551	0.4
121.08452	3.2
121.10128	1.0
123.07930	0.4
128.10695	50.9
129.11028	1.4
131.04936	2.5
131.08603	0.4
133.10175	0.4
135.11722	0.6
137.09572	0.6
145.10086	0.9
147.11694	0.6
149.05952	1.8
149.09572	0.6
155.10646	0.6
156.10178	16.9
157.10507	0.6
160.44296	0.3
165.09070	1.2
166.08614	65.8
167.09004	1.9
175.10983	0.3
201.16278	0.5
202.35678	0.3
211.14760	0.3
229.15794	0.5
242.97787	0.3
303.23117	0.6
321.20706	0.7
321.24292	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.242
Annotation	19S-HETE
Peak:m/z	Relative Intensity
55.05502	4.8
57.07058	1.8
59.04988	0.5
67.05217	0.4
67.05496	4.8
69.03426	0.8
69.06772	0.4
69.07058	5.0
69.76337	3.3
71.04975	1.0
71.08610	1.8
72.80164	0.4
72.99934	0.5
79.05470	3.0
81.07043	6.4
82.89989	0.4
83.04974	1.0
83.08588	2.3
83.34893	0.4
85.06534	1.2
91.05445	2.0
93.07029	4.8
93.65017	0.4
95.04941	1.1
95.08589	8.6
97.06513	1.1
97.10154	1.6
98.20821	0.7
99.08072	1.5
105.07036	2.6
107.08577	3.3
109.06499	11.3
109.10139	2.6
111.08060	1.6
119.08546	3.4
121.06454	0.7
121.10112	2.4
122.07240	0.9
123.08050	34.9
123.11665	1.3
124.08385	0.5
131.08569	0.8
133.10101	1.5
135.08034	3.4
135.11601	0.9
137.09584	2.1
137.13084	0.6
139.11159	0.8
145.10094	1.6
147.11642	1.4
149.09576	1.3
149.12172	0.5
149.13266	1.1
151.11133	0.4
159.11635	0.9
161.13205	0.8
163.11040	0.5
165.12701	0.9
173.13243	0.8
179.14284	48.7
180.14600	2.0
185.13275	0.6
187.14725	0.5
193.15782	1.4
205.15833	0.8
215.14236	0.5
222.65334	0.4
223.13257	0.5
226.43985	0.5
247.16942	0.9
261.22018	0.7
265.17923	10.1
266.18228	0.7
279.85947	0.4
299.06137	0.8
303.23163	2.9
321.24185	100.0
322.24515	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	321.1437
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74623	0.5
65.03967	0.6
66.19851	0.7
67.05494	7.8
69.07049	0.6
70.02767	2.8
79.05486	1.4
81.07053	2.2
84.08154	0.9
90.31404	0.5
91.05457	1.2
93.07023	1.3
94.06542	8.4
95.04939	0.7
95.08584	1.2
100.14357	0.5
109.06474	0.9
119.08527	0.6
121.10223	0.6
122.06005	30.1
123.11714	0.6
124.22553	0.6
126.05484	0.6
133.06569	0.5
136.07552	60.9
137.07927	0.9
140.07063	1.1
141.12660	0.6
146.05956	1.6
147.11662	0.6
164.07036	100.0
165.07382	2.5
182.08095	87.1
183.08453	2.2
243.11261	0.7
244.44585	0.5
286.10620	1.2
303.13196	0.8
304.11633	1.3
321.14365	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1439
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.7
53.48497	0.4
67.05496	9.4
69.03423	0.4
69.07049	0.7
70.06601	0.8
71.02248	0.5
71.02592	0.8
71.04987	0.9
79.05485	1.3
81.07048	1.8
85.02890	0.9
91.05476	1.4
93.07020	1.7
94.06561	9.7
95.04973	0.7
95.08598	1.4
97.06546	0.5
107.08611	0.6
108.08038	0.5
109.06525	0.8
109.10135	0.8
121.10121	0.6
122.06018	31.3
123.06392	0.6
123.11692	0.6
131.08536	0.6
135.11667	0.6
136.07559	58.6
137.07935	0.9
138.05499	0.4
140.07025	1.3
146.05943	0.4
147.11641	0.5
164.07048	100.0
165.07382	2.9
165.12758	0.5
166.04932	0.6
166.14682	0.4
182.08109	84.1
183.08466	1.9
243.11115	0.4
249.57941	0.5
259.14154	0.8
286.10574	0.8
302.95868	0.4
303.13104	0.6
304.11810	1.0
310.09283	0.5
321.14188	0.7
321.24374	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.0663
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32301	1.1
56.96544	3.9
57.03426	2.0
67.31174	1.3
70.06568	1.2
70.84672	3.4
70.85036	1.4
82.99838	2.2
84.08137	2.1
84.57381	1.2
84.91158	1.8
85.02884	2.7
86.09706	1.5
91.02438	3.7
94.92989	4.4
98.97568	2.8
101.00858	26.0
103.02409	2.5
104.10726	3.3
107.22556	1.1
112.99107	3.5
113.00843	5.1
113.03452	2.1
115.02411	10.4
116.98612	1.5
119.01904	100.0
119.92480	5.0
120.01968	3.9
126.98741	1.6
127.02381	1.2
129.03934	3.4
131.00160	4.5
131.01898	19.9
133.03450	31.8
134.03618	1.4
137.02942	18.7
143.01878	8.1
144.99797	4.5
145.03415	5.8
147.04996	3.6
149.01178	2.7
149.02939	5.8
151.04486	7.2
155.01830	4.1
157.03453	2.1
158.99557	2.9
159.01376	1.8
159.04907	2.7
161.02946	18.5
168.99796	13.3
171.01366	5.9
171.04970	3.3
173.02931	15.7
174.03157	1.1
175.04475	5.4
176.04654	1.4
177.00687	3.3
177.02357	2.9
177.06053	1.3
177.09407	1.2
179.03899	1.5
183.01239	1.6
185.02870	1.9
186.99297	2.4
187.00870	34.8
188.00874	2.0
189.00752	1.6
189.02426	19.1
189.06029	2.5
190.01105	1.7
191.03981	19.8
196.99287	8.7
199.00983	1.9
201.02428	9.7
202.02573	1.6
203.03958	3.1
205.01906	14.9
213.02449	1.5
215.00343	45.1
216.00558	2.9
217.01770	2.5
219.01660	2.8
219.03520	16.7
219.06961	1.7
220.03838	1.4
221.05017	5.2
227.03946	1.3
229.01909	20.6
231.03525	4.2
233.01363	5.4
233.05037	23.6
245.05032	1.3
247.02975	84.2
248.03087	6.3
249.04501	4.7
261.04535	3.8
261.08109	4.8
265.04025	16.4
270.04535	2.6
279.05508	3.8
279.09204	5.8
289.04150	12.3
303.01459	2.0
307.05219	1.7
321.02582	2.3
321.06500	19.7
321.10309	13.8
322.05457	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	320.1333
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	0.7
51.81032	0.5
55.93516	0.6
56.05019	1.5
56.96551	2.3
57.03406	0.9
57.68505	0.5
60.04515	2.2
61.02912	0.9
63.14482	0.5
69.03403	1.6
69.07054	0.9
70.06574	8.6
71.61562	1.1
72.08146	2.9
72.38866	0.5
74.06059	2.6
81.03422	1.3
82.06532	0.6
84.04484	1.7
84.08135	6.5
85.02882	5.6
86.09691	9.0
87.05575	1.1
91.05457	1.0
95.04954	1.0
97.02858	1.7
98.97576	1.5
101.59512	0.6
104.05294	2.0
105.03410	1.1
109.02863	0.9
110.07130	2.3
110.89030	0.6
112.07581	5.0
114.05503	1.1
116.07091	1.6
116.98598	1.6
120.06609	0.7
120.08066	2.4
123.04409	100.0
124.04737	2.5
127.03893	1.2
128.10741	1.1
128.98572	0.7
129.10208	1.9
130.08647	1.1
134.99579	0.9
136.07513	1.0
140.07040	1.3
145.04829	0.8
146.06175	0.8
146.99651	0.6
147.04454	0.6
147.11287	0.6
158.08107	5.2
159.36308	0.5
163.21127	0.6
173.12846	8.8
177.00661	2.2
189.00714	0.7
189.08569	0.6
201.12321	3.7
222.04350	1.0
234.98972	0.8
235.13460	0.7
237.02733	1.2
238.12459	0.7
240.05334	0.7
279.03735	0.9
302.17148	0.9
319.65347	0.8
320.16431	0.9
321.09396	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	319.0782
Annotation	Unknow
Peak:m/z	Relative Intensity
58.73264	4.9
61.02906	4.4
62.51218	4.4
64.40713	5.6
70.81738	12.9
84.08103	6.9
85.02882	19.3
90.25040	4.9
110.07170	7.7
112.89663	5.6
114.89307	16.7
116.89111	15.3
127.03902	10.2
141.91345	4.8
152.35385	4.5
154.12213	4.4
157.04768	6.2
161.05501	10.4
170.06079	12.8
212.39540	5.0
219.07126	26.6
220.07358	6.6
233.99313	9.1
273.09628	5.3
319.07474	100.0
319.13495	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	319.1169
Annotation	Unknow
Peak:m/z	Relative Intensity
54.45473	0.4
54.68435	0.4
57.07055	1.3
58.07405	0.6
63.88554	0.4
70.06583	3.5
70.77119	1.7
71.04978	2.2
71.06926	0.8
71.08596	0.8
85.89246	0.4
87.68833	0.4
88.07607	4.3
89.07946	0.6
91.05440	1.0
91.95810	0.5
102.09163	3.0
103.05467	0.6
115.05427	1.5
117.06999	2.7
119.08553	1.2
125.52884	0.4
128.06218	0.7
129.06955	1.6
131.04897	0.9
132.05667	0.6
145.06479	4.7
147.08015	1.7
155.04848	1.2
155.06021	0.7
159.04358	1.3
159.08090	0.7
160.05188	5.4
161.05943	1.9
163.07498	1.7
172.05174	5.4
173.02315	3.3
173.05977	1.0
175.07527	4.7
183.05460	0.6
185.05937	7.7
187.03815	1.1
187.07507	0.9
188.04648	50.4
189.05008	1.2
203.06990	100.0
204.07359	2.8
205.08644	1.1
206.05650	0.7
216.04140	1.2
231.06479	80.3
232.06793	2.0
249.07536	30.8
250.07875	0.8
256.26324	5.8
257.26675	5.3
318.29956	12.2
319.11731	1.5
319.30283	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	320.097
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04994	10.8
67.05494	2.2
69.03414	1.9
69.07055	2.5
69.82657	8.4
70.06585	3.2
79.05487	1.6
80.62923	1.2
81.07045	1.7
84.08099	2.3
84.86747	1.3
91.05489	4.2
93.06992	1.9
95.08569	1.8
103.35773	1.1
105.06998	2.6
107.08553	1.7
109.10133	1.9
115.05439	8.0
117.07010	11.1
128.06195	1.6
129.07056	2.0
137.05972	1.6
137.81529	1.4
145.06453	13.2
159.08054	3.3
161.06004	3.1
163.07532	1.8
173.05951	22.0
174.06490	1.5
175.07535	8.4
177.09111	1.3
187.06097	1.6
187.07454	7.3
189.09067	4.1
191.06998	4.0
201.09026	3.1
203.06987	22.0
204.07365	2.1
205.08589	5.3
215.07010	9.8
217.08623	2.5
221.08063	18.9
222.08363	2.3
229.08488	2.3
229.12236	3.3
233.08072	14.1
244.98886	2.0
248.04018	71.7
248.54169	14.6
249.01903	1.9
249.04112	8.4
250.99841	2.0
252.97992	1.7
255.04848	6.8
255.54929	1.8
257.11688	10.3
258.24155	1.9
262.99991	6.0
270.98950	3.6
274.56750	1.7
275.06390	17.5
275.09100	1.9
275.09662	1.6
275.12747	21.9
275.56445	3.8
275.97052	3.1
276.13120	4.2
277.01572	9.3
281.01016	4.5
283.57266	3.8
284.06876	100.0
284.57016	29.2
285.06973	9.3
288.00262	1.7
291.07617	2.1
292.01309	2.5
293.00998	38.2
293.13794	5.3
294.01376	2.6
295.02716	18.9
296.02948	1.6
304.58115	2.3
307.02386	1.8
309.02570	2.2
311.09268	7.2
311.59351	2.6
313.03607	18.3
314.03741	1.7
318.04260	2.4
319.59875	5.3
320.09726	41.4
320.23099	2.7
320.27820	5.4
320.59842	16.1
321.09875	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	318.2634
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05447	4.8
56.04998	0.9
56.51584	0.5
57.07019	1.3
63.47539	0.5
67.05439	2.0
68.04961	0.7
69.03421	2.8
69.06998	4.8
70.06583	10.8
71.08579	0.9
71.62558	0.9
72.08090	1.5
81.04453	0.6
81.06985	1.6
83.08618	4.0
84.04456	0.9
84.08090	1.0
85.02863	0.5
86.06055	10.2
86.09637	0.6
87.04459	16.2
88.07523	0.5
91.05413	0.6
93.06975	0.7
95.04914	0.8
95.08595	2.5
97.10177	2.4
98.06044	58.8
98.06950	1.5
99.06296	1.3
104.06999	0.5
105.06965	0.9
107.04886	0.6
108.05547	0.5
109.06452	1.3
110.07092	0.8
111.11672	0.5
112.07555	0.7
113.22961	0.5
119.08537	0.5
121.06464	0.5
121.10094	0.6
126.09083	0.5
135.11652	0.6
136.06105	1.5
138.05475	0.8
145.10052	0.6
167.10657	0.6
168.17422	0.5
170.17648	0.8
170.19016	9.8
186.27951	0.4
210.22099	1.5
224.84097	0.5
238.21634	9.5
256.22687	100.0
257.23032	5.4
272.20166	0.7
295.02869	0.5
300.21863	1.0
300.25305	20.6
301.25531	1.2
302.17554	0.5
318.26382	50.5
318.29907	4.4
319.19073	0.9
319.26755	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	318.2057
Annotation	Tetrabenazine
Peak:m/z	Relative Intensity
51.06342	0.6
53.03930	1.7
53.72242	0.6
55.01861	5.5
55.05494	4.0
56.05031	3.0
57.07065	7.6
58.06584	2.2
60.04515	7.9
64.42089	0.6
65.03929	1.1
67.05488	2.3
68.05035	0.9
69.03422	0.6
69.07056	20.4
70.06577	8.1
71.08624	3.4
71.60726	1.1
72.04472	0.8
74.06062	2.3
77.03926	0.6
77.41541	0.5
79.05473	5.5
81.03404	0.9
81.07043	2.7
83.08615	1.2
83.42554	0.5
85.10165	1.4
88.07614	20.4
91.05460	4.0
92.10622	0.6
93.07017	1.3
94.06593	0.6
95.04948	2.6
95.08595	1.6
98.06806	0.6
99.94319	0.6
102.09166	8.5
103.05450	2.5
105.04494	0.6
105.07008	2.7
107.04932	0.8
109.10141	0.7
111.11687	0.8
111.92418	0.6
114.12793	1.2
115.05428	3.6
117.06992	1.3
118.06547	0.8
118.08628	1.8
122.08184	0.6
123.04416	3.1
123.11685	0.7
124.04724	1.6
128.06168	3.1
128.14330	100.0
129.06989	1.2
129.14680	2.7
130.06485	0.9
131.04955	0.8
131.08501	1.0
132.08015	0.8
132.10187	0.6
133.10130	0.7
138.05460	1.1
141.06868	0.6
142.07748	1.0
142.15900	2.7
143.08473	1.1
160.07529	0.7
161.05937	3.5
162.09187	0.9
170.15378	7.3
176.07091	1.0
182.15366	4.0
203.07010	1.1
231.06538	1.0
233.24261	0.5
241.15805	0.9
256.26291	25.9
258.18512	1.6
259.16745	1.4
270.27823	8.8
274.25204	1.8
300.19559	1.1
300.28909	2.4
318.17807	1.3
318.20590	74.7
318.30145	81.5
319.20792	5.1
319.30521	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.202
Annotation	Leu-Val-Ser
Peak:m/z	Relative Intensity
55.05505	4.7
56.05023	1.2
60.04515	22.7
61.02905	0.5
64.32269	0.4
65.51035	0.4
67.05505	0.7
69.03407	0.6
69.07061	1.1
69.73613	1.6
69.74023	1.3
70.02940	1.7
70.06582	5.2
71.04972	0.4
72.08145	60.7
73.08472	0.6
79.05489	0.6
81.03410	0.9
81.07052	0.9
84.04488	1.1
84.08132	4.2
85.02898	1.2
86.09695	35.0
87.05581	15.7
88.04004	0.6
90.05564	0.5
91.05483	1.2
93.07024	0.5
94.06579	0.9
95.04964	0.5
96.08107	1.6
97.02895	0.6
97.06526	0.4
99.04456	0.5
100.07602	0.6
107.04946	0.5
109.02859	0.6
109.06488	0.4
109.10208	0.4
110.07134	1.1
110.09691	0.5
110.46877	0.4
114.09150	16.9
115.09427	0.4
116.07079	0.8
116.96592	0.4
118.08630	1.5
119.70873	0.5
120.08108	2.7
122.06016	1.3
124.07605	1.0
127.03947	0.6
128.10687	3.2
129.10187	2.2
132.10187	6.7
136.07564	0.5
138.05493	2.3
140.07048	0.9
141.98824	0.5
142.97984	0.6
147.19363	0.5
155.11774	0.5
156.06560	0.5
156.10150	0.6
159.11269	100.0
160.11569	1.9
166.04997	1.2
172.11246	0.5
173.12846	21.0
174.11400	0.4
174.13113	1.1
178.04967	1.7
179.03386	2.0
187.10751	43.6
188.11070	1.1
201.12308	8.0
205.11749	1.1
210.14915	0.6
212.09401	0.6
214.70065	0.5
216.12372	0.6
219.13297	1.3
226.10991	1.0
227.11717	0.9
228.15906	0.7
231.17004	2.0
237.09071	0.6
239.95203	0.8
240.94380	1.1
255.06937	0.5
255.11194	0.9
256.26309	0.5
270.09973	1.5
272.11356	1.7
272.96915	1.1
273.12332	2.2
274.16483	0.9
283.10565	1.2
294.99106	1.0
295.98538	1.5
301.11786	10.4
318.11972	0.7
318.20331	1.1
319.04742	0.7
319.09055	0.6
319.12848	6.2
323.68661	0.5
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
53.03929	0.5
55.01854	0.7
55.05494	0.7
56.05033	0.4
57.03414	1.3
60.04511	2.4
61.02908	1.9
66.02024	0.3
67.05499	0.5
67.80708	0.3
69.03417	4.6
69.07064	4.6
70.06583	5.4
70.07383	1.1
70.56403	0.8
70.56787	0.8
71.05003	0.6
72.08151	2.7
73.02898	0.9
79.05464	0.6
81.03422	2.0
81.07022	0.4
82.06567	0.5
83.01381	0.3
83.04932	0.4
84.04482	0.7
84.08131	3.9
85.02895	9.4
86.09205	0.6
86.09698	9.0
86.10219	0.5
87.04431	0.8
87.05566	1.4
88.38320	0.3
91.05456	0.8
93.07028	1.6
94.59320	0.3
95.08576	1.6
96.04490	2.5
96.08132	2.1
97.02876	3.6
97.05264	1.9
97.06517	1.3
98.06011	0.3
98.09671	0.4
99.04432	0.9
100.07593	1.0
100.09190	0.3
103.05459	0.7
108.08102	0.5
109.02840	1.2
109.06493	0.6
110.06025	6.2
110.07121	0.3
110.09669	3.6
111.08051	1.1
114.09167	0.3
115.07565	0.7
116.07039	0.5
118.08640	0.4
120.08070	1.4
121.06487	15.0
122.06801	0.3
123.04387	0.5
125.08340	0.7
126.09142	7.6
127.03909	2.6
128.10675	2.1
129.10196	1.1
133.02827	0.4
133.06442	0.5
136.07590	0.5
138.05492	1.1
138.09119	18.4
139.07523	2.2
139.09393	0.5
144.04445	3.2
145.04950	2.0
152.01892	0.3
152.10667	0.7
156.10179	100.0
157.10564	3.0
158.09216	0.4
159.11261	2.7
162.05489	0.4
168.10176	1.3
173.12823	8.1
175.11856	1.1
179.03378	4.3
180.03735	0.3
180.10178	0.5
187.10768	0.9
198.11159	0.7
201.12317	3.3
205.11996	0.4
215.25874	0.4
222.11287	0.4
272.11813	0.5
273.12344	0.5
290.52438	0.4
300.11435	0.4
300.15677	0.5
301.11777	1.8
318.15289	6.6
319.12836	1.2
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
53.03920	2.1
55.01859	4.0
55.05495	2.6
57.03426	3.1
60.04501	2.5
61.02919	9.6
61.21415	1.1
65.57437	1.0
69.03417	18.6
69.07040	3.6
69.31241	11.3
70.06580	9.7
71.04970	3.5
71.06917	1.3
71.48737	1.2
72.08137	5.1
73.02900	3.6
74.06068	1.6
81.03410	12.2
81.07069	1.1
83.04933	1.1
83.08601	4.9
84.04494	2.3
84.08150	8.0
85.02894	100.0
86.03194	1.4
86.09687	11.9
87.04426	3.3
88.03957	1.9
91.03950	6.9
91.05462	3.3
93.07027	6.3
95.04962	1.4
97.02879	20.1
99.04433	5.0
102.05524	1.6
103.05468	2.1
105.06964	1.2
109.02865	14.6
111.08032	1.3
112.08702	1.1
120.08071	2.8
121.02846	6.4
121.06489	78.9
122.06788	2.1
127.03898	24.6
129.10194	3.3
130.06517	2.8
138.05464	4.8
139.03870	12.1
143.11792	3.9
145.04938	44.1
145.06572	1.7
148.06065	2.0
156.06488	2.6
156.10219	1.2
156.41862	1.2
157.06427	1.4
159.07986	2.8
163.05989	10.1
163.07292	1.9
166.04936	1.8
175.07527	1.3
175.09639	3.7
179.06996	2.8
180.08601	4.0
187.07503	15.7
201.09019	1.7
201.12172	1.5
203.07153	1.1
205.08569	12.1
229.08517	6.9
235.09705	1.9
247.09631	5.5
265.10611	6.2
272.13797	1.3
285.08411	1.6
300.10513	1.3
301.12494	3.9
302.11356	2.1
306.04153	1.2
318.29861	1.4
319.13123	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	318.1181
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.9
55.05490	1.5
57.03425	2.5
60.04514	1.4
61.02904	3.6
62.78079	0.9
69.03423	4.9
69.07042	1.4
70.06275	0.9
70.06582	8.7
71.04966	1.1
71.19798	1.9
71.20143	1.2
72.08140	6.4
73.02889	1.2
74.06072	1.6
75.05585	0.9
78.93261	0.9
81.03394	4.4
81.07021	1.3
83.08643	1.2
84.04496	1.1
84.08140	5.6
85.02894	36.9
86.09700	7.4
87.04453	1.1
91.03948	3.4
91.05452	1.4
93.07034	1.0
97.02888	8.0
99.04448	1.9
109.02880	4.7
110.07058	1.4
120.08086	2.6
121.02850	64.8
121.06486	21.2
122.03246	1.1
127.03896	7.1
128.10693	1.1
129.10208	2.9
130.06525	2.1
137.05969	1.0
138.05478	3.4
139.03882	100.0
140.04247	1.5
143.11746	1.8
145.04944	11.7
148.06046	1.1
149.07376	1.1
156.06534	2.4
159.08014	1.7
163.05986	2.7
171.11427	1.4
180.08635	1.2
187.07439	4.4
188.07106	1.1
188.10843	1.0
201.12157	1.1
205.05042	1.0
205.08566	3.1
219.13509	1.0
229.08650	1.1
244.09785	1.1
256.26508	1.4
261.03860	1.4
265.10632	1.0
272.09161	2.1
300.08511	1.4
318.11884	1.4
318.29810	1.5
319.08002	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1851
Annotation	julocrotine
Peak:m/z	Relative Intensity
50.93500	0.3
54.46835	0.4
55.05489	0.9
57.07048	0.7
61.81362	0.3
67.05470	1.1
69.07040	0.8
70.06573	1.9
71.06905	0.4
71.62792	0.6
72.08119	1.1
77.33855	0.3
79.05466	0.7
80.04979	0.7
81.07031	2.6
83.08631	0.6
84.08139	0.6
91.05428	0.5
93.07043	0.6
95.04952	0.4
95.08588	1.8
97.06599	0.4
105.06979	0.4
106.06538	0.5
107.08587	0.6
108.04430	1.3
109.10136	1.1
110.07139	0.4
118.06535	0.7
120.04445	1.5
120.08044	0.5
123.05525	17.9
130.06494	1.3
131.07306	0.4
132.08064	0.7
134.05952	0.8
137.07045	0.7
143.07204	0.5
144.08081	0.7
145.06490	0.5
145.07507	0.5
146.05984	3.2
149.05949	0.7
149.07036	3.2
154.51378	0.5
156.08029	0.6
157.10127	0.4
158.06000	2.5
158.09666	0.5
159.06731	0.6
160.07524	0.6
163.08623	1.4
163.84685	0.5
170.09596	1.2
171.06766	1.4
171.10390	0.9
172.07541	1.6
172.11191	3.2
175.05035	2.2
175.08655	3.4
182.09602	0.6
184.07523	2.9
185.08293	1.1
185.12027	0.7
186.09122	2.5
186.12717	1.1
187.03905	0.6
198.09138	3.0
198.10812	0.4
198.11407	0.4
199.09882	9.8
199.11882	0.4
200.04680	0.6
200.10661	12.5
201.09961	0.8
203.11751	3.4
205.04509	0.4
209.20917	0.8
213.11441	0.8
214.12201	0.6
215.11935	0.4
216.12570	0.5
228.17445	1.6
229.18143	0.4
230.19049	0.7
238.15869	1.1
245.16591	0.4
254.21077	0.9
255.18561	1.9
255.21419	7.8
256.16925	15.0
256.22638	0.7
257.17233	0.7
273.19559	21.2
274.19910	0.6
277.02847	0.9
299.16397	1.0
299.24030	1.4
317.06451	1.1
317.18524	100.0
317.64767	0.4
318.18811	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1954
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37445	3.7
53.03921	4.8
55.05500	22.9
56.96577	4.0
57.03441	6.3
57.07072	5.7
67.05491	82.4
69.03424	12.7
69.07061	21.3
70.06597	4.4
71.04980	13.8
71.63265	6.0
72.08125	3.5
79.05477	57.5
81.03413	6.3
81.07043	88.9
82.06561	5.1
83.04972	8.8
83.08600	14.7
84.04502	3.9
84.08136	9.9
85.02867	4.8
85.06541	8.1
86.09689	9.5
87.04445	11.5
91.05462	56.1
93.07024	81.7
95.04964	16.7
95.08587	100.0
96.08105	4.3
96.08855	3.7
97.02907	5.5
97.06503	22.0
100.05308	4.4
101.05990	6.4
105.07007	35.0
106.06539	4.3
107.04950	10.3
107.08574	51.2
109.06526	10.4
109.10136	38.8
111.08083	13.2
115.02207	3.8
115.03913	4.7
117.07000	17.9
119.08561	36.6
120.08042	6.9
121.06479	11.3
121.10116	49.7
123.08067	11.3
123.11716	6.8
124.07600	4.5
125.09662	4.7
127.03887	5.6
129.07011	13.4
131.08557	29.0
133.06567	4.2
133.10097	64.0
135.08057	16.1
135.11644	21.6
137.09596	20.2
139.07503	14.6
139.11186	4.6
143.08546	14.4
145.06441	7.1
145.10098	22.9
147.08003	6.6
147.11681	14.4
149.09608	17.1
149.13264	5.2
151.07622	4.3
151.11145	8.9
152.07053	7.1
153.09105	19.4
157.10115	14.0
159.11722	9.1
161.08209	4.0
161.09602	9.7
161.13200	5.4
162.05534	5.6
163.11130	6.2
166.08713	3.7
171.11670	12.8
173.13237	14.5
175.05038	13.6
175.11195	6.2
175.14827	50.5
177.12801	5.1
180.06526	13.4
183.11624	4.4
187.14743	4.6
189.16287	23.4
193.15912	4.4
197.13258	7.6
199.14786	41.9
210.07875	4.4
211.16904	20.4
217.15866	33.1
225.10239	10.6
235.16895	76.5
239.16367	6.7
247.17068	4.1
253.09749	6.9
253.17844	31.5
257.17270	6.3
263.16431	13.8
267.05396	6.5
269.12793	17.3
271.10840	6.3
271.20721	4.5
281.12811	8.4
281.17526	7.8
299.10236	35.4
299.19992	11.1
300.10648	4.8
306.48026	3.9
317.06412	7.3
317.11197	45.8
317.14795	21.0
317.18158	9.0
317.21350	28.8
317.24570	8.0
318.11697	3.7
320.80231	3.8
339.72751	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	317.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.1
53.51776	0.4
55.01863	2.1
55.05507	3.8
56.05029	1.8
56.96556	5.9
57.03436	3.1
57.07059	0.6
59.45372	0.4
60.04527	0.8
61.02917	3.0
67.05495	1.1
68.69840	0.4
69.03418	8.4
69.07055	1.0
70.02939	0.6
70.03749	0.6
70.06583	3.8
70.13293	0.4
70.70483	1.4
71.01367	0.5
71.05002	0.9
72.08147	9.1
73.02914	3.5
73.06541	2.2
74.02432	4.9
75.05578	0.5
81.03401	2.4
81.07047	0.8
83.06095	0.6
84.04501	5.1
84.08132	21.6
85.02894	16.0
85.03420	0.6
85.08475	0.6
86.03230	0.7
86.09695	100.0
87.04459	1.3
87.05581	12.5
87.10004	1.0
88.03979	2.9
89.03928	0.4
91.03927	1.0
91.05480	0.6
93.07076	0.6
95.04983	0.5
97.02880	7.7
98.06038	0.4
98.97569	9.9
99.04450	1.6
100.45586	0.4
101.00842	1.0
101.02383	0.7
101.07147	1.1
101.10786	1.0
102.05524	1.0
104.01343	0.4
107.04955	1.6
107.08656	0.4
109.02874	2.3
109.06496	0.5
110.01260	1.1
110.03136	0.5
110.06030	0.9
110.07162	0.6
110.97543	1.1
111.03817	0.5
112.99138	0.4
115.03926	1.0
115.08640	0.4
116.03449	2.2
116.07071	0.7
116.98607	6.5
117.03999	0.7
118.08646	1.1
119.01875	4.4
119.04934	0.4
121.02782	0.7
121.06484	1.2
125.03542	0.5
127.03907	6.0
128.02292	1.8
128.98639	2.1
129.06615	0.6
129.09326	0.9
129.10228	12.2
130.04997	4.3
130.08604	2.1
131.00090	0.5
131.01889	1.0
132.10234	0.5
133.06071	57.4
134.06438	0.6
134.99649	2.9
135.04359	0.9
136.04721	0.6
136.06163	2.1
137.01801	0.4
137.05992	1.5
138.05475	8.7
138.09145	0.7
139.03955	1.1
140.02313	0.6
140.08192	0.4
141.06543	0.6
142.12259	0.5
143.00153	1.1
143.01869	0.6
143.11812	3.2
144.98129	0.5
145.01724	0.6
145.03456	1.2
145.04933	2.8
146.02258	0.6
146.04140	1.7
146.99649	2.3
147.01375	0.8
147.03206	1.1
147.04300	0.7
147.07622	5.2
147.11295	1.3
149.01245	0.8
149.02808	1.1
154.94153	1.7
155.02821	0.6
155.04637	12.7
155.08090	1.0
155.54814	1.2
156.06557	4.8
157.13347	50.2
158.13631	0.5
158.99634	4.9
161.01237	1.0
161.02925	2.4
163.03780	2.2
164.04086	0.7
164.05214	7.6
164.55351	1.0
165.00641	0.5
165.04346	1.8
166.55438	0.8
170.99605	1.3
171.11269	1.0
172.95224	4.9
172.97552	0.5
173.02867	1.4
175.04509	0.6
177.00716	7.4
177.02226	0.6
182.03334	1.5
182.04915	0.4
183.05081	0.5
185.12836	27.0
186.08702	0.8
187.02867	0.4
187.04408	0.9
187.07164	0.7
188.04770	0.5
189.00700	1.5
189.02518	1.1
189.04300	1.7
189.12344	0.7
190.96294	2.7
190.98582	0.5
191.02280	0.7
191.03873	1.5
191.05682	1.3
195.01633	0.6
200.10312	0.6
201.00687	1.2
201.12291	0.6
204.09784	0.8
205.05557	0.6
207.03403	1.4
207.05305	0.8
214.96277	4.0
215.07645	1.0
218.06270	2.0
219.01709	3.1
219.03348	0.5
219.05235	0.5
223.01212	0.7
226.96410	0.8
227.06731	29.9
227.56960	4.2
228.13371	0.5
229.11861	1.2
232.97279	1.1
236.07257	29.8
236.57465	4.1
237.02788	4.3
237.07652	0.5
242.18535	0.6
244.97307	1.3
246.14409	3.4
247.58044	1.4
257.01413	1.6
275.02286	1.0
279.03790	0.6
281.13345	0.5
285.00961	0.6
291.07449	3.0
299.16937	1.3
300.15628	1.0
309.08466	8.2
310.08765	0.7
316.99353	1.0
317.03229	0.4
317.06830	1.0
317.11942	1.4
317.18155	2.4
317.21780	7.2
317.25046	1.0
334.99771	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0989
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	4.2
55.05496	7.5
56.05026	3.2
56.96552	15.5
57.03432	10.9
57.40847	2.5
59.99479	2.1
60.04516	3.6
61.02908	8.9
67.05477	3.1
69.03420	23.0
69.07067	3.9
70.03741	3.0
70.06579	13.8
71.04974	6.2
71.06948	2.7
71.61649	2.9
72.08141	19.1
73.02899	8.3
73.06542	10.8
74.06068	3.6
75.96943	2.6
81.03411	12.0
81.07049	2.2
83.06087	4.2
84.04491	24.6
84.08131	56.0
85.02894	46.7
85.06516	2.3
86.09693	88.1
87.04414	3.2
87.05574	3.0
88.03992	4.9
89.03870	2.1
91.05489	3.2
97.02864	22.0
98.97571	26.8
101.02314	2.8
101.07140	6.1
102.05547	6.3
104.01271	2.3
107.04936	6.7
107.08572	2.3
108.56173	2.5
109.02873	9.2
109.10152	3.7
112.08674	2.5
115.06133	2.4
115.08659	6.1
116.07032	2.7
116.66907	2.3
116.98601	17.6
119.01805	9.2
127.03896	16.4
128.02325	2.9
128.98608	6.1
129.06599	2.8
129.09303	4.8
129.10214	40.8
130.04974	24.8
130.08601	5.3
131.00241	2.9
131.01872	3.2
132.10155	3.2
133.06082	20.8
134.99640	6.7
137.05919	2.7
138.05450	11.4
141.10207	2.7
143.00133	3.7
143.08153	3.9
143.11757	22.5
145.04961	5.7
146.04120	5.7
146.99648	6.3
147.03264	5.3
147.07626	43.0
147.11400	3.9
154.94202	6.4
155.04631	42.5
155.54796	3.6
156.06546	7.4
157.13335	15.4
158.06708	3.3
158.99641	17.2
161.01213	3.6
161.02904	4.7
164.05150	35.9
165.04346	6.5
166.55418	6.1
168.05135	4.2
171.11296	4.1
172.95262	17.0
175.10777	4.3
176.07674	2.8
177.00693	16.5
182.03297	3.3
185.12820	10.9
186.08725	4.1
186.12395	3.1
187.07103	2.8
188.05188	4.6
189.00673	4.6
189.04308	5.9
189.12332	3.7
190.96300	6.8
191.03943	5.2
191.05667	7.2
196.65042	2.2
197.13025	3.2
201.00639	4.5
201.12418	3.0
204.13379	3.2
214.96295	10.9
218.06277	6.4
219.01682	12.9
227.06740	100.0
227.09030	5.4
227.56935	9.8
232.97273	2.6
236.07259	89.6
236.57414	17.4
237.02780	20.3
244.97849	3.6
251.12372	6.4
263.12515	2.6
269.13416	6.2
281.13422	17.3
291.07553	12.8
299.17075	3.7
309.08481	29.4
317.03397	3.0
317.06772	3.7
317.12152	4.7
317.18509	3.7
317.21701	20.3
317.24973	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	316.2841
Annotation	Halisphingosine A
Peak:m/z	Relative Intensity
53.03949	0.8
55.05505	6.5
55.06424	0.5
56.05038	3.9
57.03423	0.8
57.07066	3.3
58.06589	0.7
60.04518	100.0
61.01143	0.5
61.04859	0.9
65.03947	0.6
65.39004	0.5
65.65691	0.5
67.05495	8.9
68.05017	0.9
69.07059	6.7
69.31901	3.0
69.32329	2.1
70.06573	1.3
71.08626	2.0
72.04510	2.3
73.02896	0.8
74.06067	2.4
79.05473	4.1
80.05008	1.2
81.07042	8.8
82.06563	1.1
82.07390	0.5
83.04965	0.8
83.08619	3.5
84.08138	0.6
86.06065	0.9
87.04456	2.9
88.48974	0.5
90.05555	1.5
91.05464	3.6
93.07031	4.1
94.06548	0.7
95.04956	0.7
95.08598	7.8
95.09162	0.9
96.08158	0.5
97.06501	0.5
97.10159	2.8
98.06017	0.8
100.07609	0.9
105.07020	1.6
107.08584	1.6
109.10136	3.2
111.08092	0.7
111.11729	0.7
112.07604	0.6
112.18186	0.5
119.08592	1.9
121.10126	2.1
123.11722	1.0
125.13220	0.5
133.10109	1.5
135.11656	1.1
137.09543	0.9
145.97044	0.5
151.07578	0.5
212.23692	0.7
244.06795	0.8
245.22612	1.1
250.25188	1.4
256.26407	1.5
262.25229	1.2
280.26349	12.9
281.26813	0.7
298.27353	15.1
299.27777	0.8
316.28409	63.1
317.21060	1.6
317.28766	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	316.2481
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	1.0
57.07071	0.3
57.89758	0.3
67.05487	0.5
68.05015	0.4
69.07052	0.5
70.06583	18.6
71.62333	0.3
72.08167	0.3
79.05463	0.5
81.07038	0.7
83.08620	0.6
84.08116	0.6
86.09655	0.4
87.04456	0.3
93.07050	0.4
95.08566	1.0
96.08125	0.6
97.10138	0.3
98.06018	0.6
100.03976	0.6
100.07596	2.4
109.10203	0.4
110.09682	0.6
113.03281	0.3
114.05481	0.8
116.07064	0.9
123.05551	0.6
128.07048	3.2
131.04900	0.6
142.04904	0.4
142.08611	0.3
149.05904	0.4
159.07639	1.0
160.07947	0.3
173.05814	0.5
178.95384	0.3
188.31528	0.3
196.49554	0.3
208.20573	12.9
209.20979	0.4
254.21120	100.0
255.21448	4.1
256.16962	0.4
272.22058	0.7
273.19522	0.9
293.67847	0.3
298.20560	0.6
298.23737	6.5
299.16614	0.6
299.24054	0.4
299.78513	0.3
306.95554	0.6
316.12231	1.5
316.24841	5.5
316.28369	0.6
317.06427	0.4
317.18478	3.8
317.21347	0.4
317.24829	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.2227
Annotation	H-LEU-LEU-ALA-OH
Peak:m/z	Relative Intensity
55.05492	1.5
56.05017	1.2
57.05814	0.5
58.06597	0.7
60.04520	4.0
61.01145	0.4
61.02910	0.5
67.05493	4.1
69.03409	2.0
69.06710	0.6
69.07055	7.8
69.07404	0.7
70.02959	0.4
70.06583	14.4
71.06909	0.4
71.57507	0.4
72.08144	14.6
73.02916	0.5
74.06057	1.2
74.09697	0.9
75.62182	0.4
79.05492	1.0
81.03416	1.5
81.07047	2.7
83.04967	0.5
84.04490	3.3
84.08134	3.8
85.02897	3.1
86.09692	100.0
87.04431	0.5
87.05566	2.5
87.10033	1.7
88.03952	0.6
91.05476	1.4
93.07056	0.7
95.04946	0.5
95.08585	0.9
96.08110	1.6
97.02870	1.5
99.04485	0.6
102.05518	0.6
107.04932	0.7
108.08103	3.0
109.02853	0.7
109.06554	0.8
109.10139	9.0
110.06034	1.0
110.07169	0.8
116.07077	28.9
118.06509	0.6
120.08098	0.7
124.07561	4.4
125.05963	0.5
127.03938	1.1
128.10706	1.5
129.10196	2.8
130.06517	1.4
130.08615	0.4
132.08063	0.8
136.06158	0.6
136.07552	3.2
137.05966	1.3
137.09567	2.4
144.08096	0.4
145.04950	0.6
146.06024	0.8
147.04495	0.4
149.07448	1.1
151.03854	0.8
154.08607	25.7
155.06815	0.4
155.08928	1.1
155.10663	1.2
165.06783	0.5
166.08696	0.4
171.14932	4.0
172.15355	0.4
173.06046	0.4
173.11343	0.7
173.12822	12.9
183.11191	0.5
187.14346	0.5
188.07069	1.2
199.14365	3.8
199.18033	22.7
200.18378	0.7
201.12299	3.7
203.13889	7.6
205.09900	0.6
227.17503	14.6
228.17795	0.6
229.15472	0.5
256.06155	0.9
266.08890	0.5
270.12006	0.6
288.68311	0.4
292.99130	0.5
298.07242	0.6
298.11765	0.7
299.10638	0.6
316.13440	0.7
316.18314	0.7
316.22211	1.2
317.12015	4.1
333.78571	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.2115
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.6
55.05502	2.6
56.05048	1.3
57.03452	0.7
57.07069	3.5
60.04533	1.1
62.06098	1.4
67.05495	4.2
69.06732	0.8
69.07045	3.3
70.02958	0.6
70.06606	2.0
71.05001	0.7
71.08624	9.1
71.08981	0.6
71.62327	0.5
72.08170	1.8
79.05496	1.6
81.03420	0.6
81.07047	6.5
83.08647	0.9
84.04499	2.2
84.08142	1.6
85.02894	6.0
85.06525	3.6
86.06082	2.2
86.09689	5.4
91.05491	1.4
93.07037	4.7
94.06613	0.6
95.04967	1.1
95.07348	0.8
95.08594	16.6
96.08142	2.0
97.02879	0.5
97.06524	1.0
98.09699	3.5
98.97575	1.0
99.08067	4.8
100.07594	0.7
103.03947	0.5
105.07024	1.9
106.07356	0.5
107.08590	1.6
108.06334	0.4
108.08138	1.7
109.06509	0.8
109.10169	1.0
110.09680	1.8
111.08085	1.6
116.10719	16.5
119.08581	1.2
120.04510	0.5
121.06512	2.4
121.10114	1.1
122.09657	3.0
123.05569	3.8
123.08089	1.0
125.07193	0.5
125.09568	0.5
129.06966	0.5
129.10216	0.8
130.06531	0.6
131.08591	0.6
133.10129	0.8
134.76425	0.5
135.07997	0.7
136.07503	0.5
136.11203	1.2
137.09601	0.6
139.07578	0.6
140.10704	0.6
142.12283	1.5
143.10661	15.9
143.11714	1.1
145.03995	1.0
145.10130	0.7
146.05977	0.8
146.11751	1.5
147.11719	0.6
149.13336	0.6
151.07535	0.5
154.12315	0.7
154.15929	0.5
157.13354	0.5
158.06033	0.8
163.05000	10.2
164.07095	1.2
164.10713	0.6
170.09587	0.6
172.07373	0.4
175.05009	89.1
177.12700	0.6
182.11754	1.5
184.07619	0.7
185.12801	0.5
186.09081	0.9
189.06544	2.9
195.13797	1.2
196.16974	1.3
199.09883	0.7
200.12791	66.7
201.06613	3.3
201.13127	1.6
204.90602	0.5
214.17992	26.7
215.18338	1.2
218.13855	10.3
256.16882	1.2
271.10669	0.6
272.20032	0.8
273.19510	1.6
289.11661	0.8
298.20102	8.8
299.17487	5.2
299.20416	0.8
300.15817	0.9
316.21036	19.7
317.06320	1.8
317.18546	100.0
337.91809	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.2111
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36468	0.3
55.01869	0.5
55.05264	0.5
55.05504	8.3
56.05019	0.8
56.05824	0.4
57.07063	1.7
58.02935	0.7
60.04502	0.9
63.35513	0.3
67.05205	0.3
67.05499	2.5
68.65680	0.3
69.06712	0.5
69.07056	6.0
70.02969	0.5
70.06570	1.2
71.04987	0.3
71.07237	0.7
71.08608	0.6
72.04506	0.6
72.08120	0.5
73.02906	2.6
74.02419	1.1
79.05448	0.7
81.07042	3.3
82.06566	1.0
83.08137	0.6
83.08607	10.5
84.04496	3.5
84.08128	0.7
84.08942	0.4
86.02406	1.8
86.09692	0.4
87.05562	0.5
88.03474	0.6
88.03979	9.4
88.91455	0.3
91.05439	0.3
93.07023	0.3
95.08593	2.8
96.08075	0.8
97.10156	3.7
98.06087	0.3
98.86996	0.3
98.97573	0.3
99.00764	0.9
99.80558	0.3
100.03959	3.1
101.06010	0.3
102.05524	5.7
107.08563	0.4
109.10106	0.4
110.06089	0.3
110.09634	0.4
112.07593	0.4
114.05521	1.4
116.03446	0.3
121.10110	0.4
122.05972	0.4
123.11703	0.5
128.03412	1.0
128.06192	0.5
128.07057	2.7
129.10175	0.3
134.04427	0.4
135.56960	0.3
137.13210	0.7
142.08611	3.5
143.08542	0.3
147.11601	0.3
156.10147	1.0
156.17444	2.6
166.15891	14.3
167.16232	0.9
173.07410	0.3
180.17403	0.7
182.19031	0.7
184.16824	0.4
187.07497	0.3
208.16966	2.3
209.17168	0.3
212.16425	17.1
213.16733	1.7
226.17979	17.5
227.18304	0.8
254.17487	11.6
254.20332	0.6
254.21306	0.4
255.17860	1.5
260.59097	0.3
271.20175	1.0
272.18478	100.0
273.18826	4.5
316.12396	2.2
316.21045	0.6
316.24622	0.8
317.06500	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.1387
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32333	0.3
53.03952	0.4
55.01868	0.8
55.05504	0.7
56.05025	0.6
56.42093	0.4
57.03428	0.9
60.04514	2.3
60.05625	0.5
61.02917	1.4
67.05482	0.7
67.31536	0.3
69.03420	4.3
69.07063	3.5
70.06198	0.4
70.06583	8.3
71.04978	0.8
71.62191	0.4
71.62579	0.3
72.04512	0.4
72.08147	4.6
73.02942	0.7
74.06065	0.4
74.09694	0.4
79.05494	1.3
80.04988	0.4
81.03397	1.6
81.05780	0.7
81.07044	2.5
82.06581	0.7
83.04967	0.6
84.04488	1.5
84.08140	4.4
85.02892	8.3
86.09695	40.7
87.04449	1.1
87.05574	1.3
87.10017	0.5
88.04011	0.5
91.03951	1.0
91.05456	2.6
93.05785	0.8
93.07044	1.8
94.06569	0.8
95.04995	0.4
96.08121	9.1
97.02885	4.3
99.04421	0.7
101.04217	0.4
102.05539	0.4
106.06554	0.5
107.04922	0.5
108.04491	0.3
108.08107	10.3
109.02869	1.0
109.06496	1.3
109.10155	0.4
110.06033	2.9
110.09692	0.5
111.62115	0.3
115.07590	0.4
116.07081	13.3
118.06554	0.9
119.04941	0.3
120.01175	0.4
120.08109	0.6
120.51794	0.3
123.06767	0.7
124.07580	21.3
125.05957	0.3
125.07095	0.3
127.03941	2.0
128.10715	0.6
129.10237	1.7
130.06494	1.7
130.07352	0.3
132.08063	0.7
136.06190	0.8
136.07567	14.3
137.05934	1.8
137.07959	0.4
138.09131	0.9
145.04922	1.3
146.05971	0.6
149.07390	0.7
154.08612	100.0
155.08908	0.7
156.07681	0.5
166.08644	1.8
171.14902	1.1
173.11490	0.2
173.12834	5.9
175.11937	0.4
178.08682	0.5
188.07045	1.1
189.03972	0.6
196.09654	0.6
199.14394	0.7
199.16161	0.5
199.18040	10.7
201.12328	3.5
203.13902	1.5
205.09721	0.4
209.51553	0.3
220.09718	0.4
227.17537	5.9
235.07602	0.4
252.10577	0.3
266.08722	0.3
270.12036	0.4
298.11722	0.5
316.13995	3.1
316.17456	0.5
316.22079	0.5
317.11615	1.0
335.14487	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.2523
Annotation	9,10-DHOME
Peak:m/z	Relative Intensity
53.03930	1.6
55.01857	2.3
55.05506	16.9
56.05031	1.1
57.03423	2.5
57.07051	3.2
61.09369	1.1
67.05495	51.2
68.05813	1.9
69.03413	2.3
69.07058	26.8
69.51073	10.3
69.85245	1.0
70.06573	3.8
71.04977	4.3
71.08622	1.5
72.08152	1.4
79.05487	18.0
81.03408	1.6
81.07046	63.3
83.04964	3.4
83.08607	12.6
84.08121	2.1
85.06546	4.5
86.09662	1.9
91.05469	8.5
93.07026	19.7
94.06602	1.0
95.04955	3.8
95.08590	55.6
96.08940	1.8
97.06519	4.5
97.10153	7.4
98.21539	2.4
98.97555	1.3
105.07030	9.8
107.08587	12.4
109.06502	2.4
109.10141	33.5
110.06020	1.0
113.09621	1.7
117.07012	3.1
119.08536	5.1
121.06506	1.2
121.10120	14.3
123.04385	1.2
123.08048	1.8
123.11664	12.3
125.09621	2.4
127.07464	1.2
130.06538	1.3
131.08514	5.2
133.10130	6.5
135.08038	2.5
135.11664	10.6
137.09598	1.9
137.13223	7.3
139.11160	2.3
145.10080	6.2
147.11667	7.7
149.09619	1.9
149.13242	4.3
151.11070	1.6
151.14763	2.0
159.11697	3.3
161.13217	6.1
163.11192	1.7
163.14784	2.1
165.12737	3.7
166.15927	1.8
169.08966	1.1
173.11838	1.6
173.13264	3.4
175.14819	1.3
179.14296	2.3
179.59854	1.1
184.10014	1.5
187.14827	4.0
195.13881	1.2
197.13206	1.2
199.12312	3.1
201.16367	1.9
205.15933	1.2
209.15306	2.0
210.09142	1.3
211.08624	2.3
212.09412	3.4
212.16386	2.0
223.16896	2.7
227.11758	15.1
228.12106	1.9
240.08945	12.1
243.06189	3.2
243.21065	6.2
254.10454	1.3
254.17661	1.4
254.21078	5.4
255.11244	11.7
261.22086	22.6
269.12848	5.5
271.20200	5.3
272.18518	3.7
279.23151	100.0
280.23398	5.2
287.13791	8.0
297.12274	10.2
297.24249	16.3
298.24747	1.7
300.11328	1.6
315.11761	13.9
315.19583	3.1
315.23157	3.1
315.26746	1.5
316.24283	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1222
Annotation	3'-Deoxysappanone B
Peak:m/z	Relative Intensity
53.03926	1.6
55.05505	2.7
57.07067	1.1
59.43972	0.7
60.08164	2.1
67.05494	3.8
68.05829	0.7
69.07066	1.9
70.06596	0.7
70.07285	3.9
71.08633	1.0
73.02908	0.8
79.05479	1.7
81.07053	4.3
82.07368	1.2
83.08594	1.0
91.05472	8.5
93.07031	11.2
95.04964	3.9
95.08585	4.3
98.21347	0.8
103.05456	9.2
105.07027	2.0
107.08581	1.2
109.10152	1.8
117.06913	0.8
119.08534	0.7
121.06490	100.0
122.06852	1.2
128.46393	0.6
131.08496	1.1
137.05965	2.7
139.21539	0.7
145.10110	1.2
147.11703	0.8
157.10060	0.8
159.11693	1.0
167.41704	0.8
173.13188	0.8
243.06276	1.7
271.24615	2.9
314.30475	6.9
315.11755	8.5
315.19553	2.3
315.23141	4.8
315.27460	1.5
315.30789	25.4
324.71085	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.2274
Annotation	Unknow
Peak:m/z	Relative Intensity
54.01108	0.3
55.01860	0.4
55.05257	0.4
55.05501	6.0
56.05027	1.4
57.03430	0.3
57.07063	1.8
58.02938	0.5
60.04503	1.3
67.05495	2.5
68.05008	1.7
68.79086	0.3
69.06714	0.5
69.07056	6.4
70.02943	1.3
70.06592	1.7
70.54218	1.0
71.04990	0.4
71.08613	0.8
71.41466	0.3
72.04494	0.9
72.08127	0.7
73.02895	1.1
74.02415	0.9
77.24948	0.3
79.05462	1.0
80.05007	0.3
81.07045	4.4
82.06590	1.8
83.08604	9.6
84.04488	2.6
84.08145	1.6
85.10133	0.3
86.02402	1.4
86.09698	0.7
87.05579	7.3
88.03976	3.9
91.05456	0.7
93.07018	1.1
95.04956	0.6
95.08594	3.8
96.04463	0.6
96.08114	1.4
97.02860	0.5
97.10165	4.0
98.09664	1.4
99.00804	1.1
100.03972	1.5
100.07601	0.3
102.05517	3.1
105.06998	0.6
107.08568	0.8
109.06496	0.4
109.10146	0.9
110.06007	0.9
110.09679	0.5
112.11192	0.3
114.05497	2.0
119.08544	0.8
121.10112	0.6
127.91908	0.3
128.03398	1.0
128.07095	1.7
130.05019	0.3
133.06131	0.7
135.11636	0.4
137.13246	0.7
142.08627	2.1
145.10086	0.8
147.11717	0.6
154.15907	0.6
156.10208	0.9
156.17461	4.0
157.10112	0.3
159.11699	0.5
166.15897	21.6
166.21356	0.4
167.16187	0.5
168.17444	5.3
180.17465	1.6
182.18987	2.4
187.03851	0.5
208.16937	3.9
210.18523	0.7
212.16423	21.2
213.16702	0.7
214.18056	0.6
225.19583	9.0
226.17981	7.9
226.20071	0.6
227.21133	0.7
243.06256	1.1
254.17482	16.8
255.17851	0.8
269.09998	0.5
271.20123	100.0
272.18063	5.9
272.20700	2.5
297.21701	2.7
315.07779	0.7
315.11880	6.0
315.16626	1.7
315.22598	2.2
316.12140	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0835
Annotation	Unknow
Peak:m/z	Relative Intensity
66.07128	5.1
70.06592	12.3
71.61942	9.1
74.61675	5.0
83.06078	6.5
84.08099	7.1
94.93004	6.6
95.85130	6.3
103.01969	4.9
112.89584	100.0
116.99540	7.1
139.91470	36.7
164.07022	30.6
213.00047	12.4
215.01660	13.3
243.06242	9.4
315.07983	88.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.122
Annotation	3'-Deoxysappanone B
Peak:m/z	Relative Intensity
52.38405	1.0
53.03942	2.1
58.33432	1.1
61.41145	1.0
68.66328	1.2
70.81713	2.6
70.82038	1.4
80.36613	1.0
81.42942	1.0
91.05478	4.8
93.07024	9.5
95.04964	2.7
103.05450	6.6
117.81451	1.2
121.06490	100.0
122.06820	3.1
160.73033	1.1
235.66687	1.1
256.59860	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.2683
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	4.3
57.07069	1.5
67.05495	1.1
68.05015	2.3
69.03419	2.7
69.07056	6.9
69.07406	0.7
70.06580	12.4
70.93726	1.0
71.08648	0.7
81.07056	1.1
83.08595	3.1
84.04491	5.0
84.08116	0.4
85.10155	0.4
86.06052	9.8
87.04453	16.4
95.08596	1.1
96.04476	1.1
97.10138	1.9
98.06038	62.0
99.06372	0.7
102.05515	0.5
104.07029	0.4
111.11749	0.4
112.07573	1.2
114.05514	3.2
121.99086	0.3
123.96037	0.3
126.09102	0.6
128.35649	0.3
130.04993	1.1
142.04964	2.0
184.20581	9.2
185.20735	0.5
222.22174	0.4
252.23189	7.6
268.22681	0.8
270.24231	100.0
271.24542	5.4
314.23184	8.1
314.26752	36.8
314.29663	0.5
314.30743	0.5
315.23657	0.8
315.27179	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0834
Annotation	Unknow
Peak:m/z	Relative Intensity
62.72129	4.3
70.06583	22.7
71.26899	6.1
72.08112	7.5
84.08140	21.9
85.02869	7.7
86.09684	11.6
93.07030	9.0
97.02856	6.4
98.97540	6.8
107.04964	7.7
116.98592	7.5
129.10211	9.9
133.69699	5.6
136.06174	6.6
137.05954	11.6
153.05418	5.9
160.36250	5.2
166.09969	4.6
193.17612	4.9
216.20352	5.1
237.02832	8.7
275.04489	8.2
291.06000	5.0
315.08264	100.0
315.23154	18.2
317.54736	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.273
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23822	0.4
55.05499	4.9
57.03145	0.6
57.03429	15.0
57.07066	42.5
63.34943	0.3
67.05162	0.5
67.05493	7.3
69.06719	0.4
69.07059	6.3
69.70634	1.2
69.71062	1.3
69.98964	0.3
71.08620	27.9
72.08952	0.3
75.04473	0.6
76.39226	0.4
79.05471	0.6
81.06573	0.6
81.07044	10.5
83.04948	0.5
83.08128	0.6
83.08604	7.7
85.10168	14.1
87.04419	0.3
89.06002	2.6
91.05440	0.5
93.07023	0.5
95.08591	15.4
97.06506	0.4
97.10161	4.3
99.11692	1.1
101.05968	0.4
103.07548	1.4
103.77027	0.4
107.08570	0.4
109.10129	7.5
111.11709	1.0
113.13306	0.6
117.09116	0.5
123.11681	2.9
137.13210	1.5
150.36723	0.3
188.65988	0.4
221.22697	0.6
235.44011	0.4
236.56412	0.4
239.23651	3.9
257.24741	3.6
283.77478	0.4
298.27393	0.8
310.78677	0.4
313.27310	100.0
314.27634	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	313.2366
Annotation	7S,8S-Dihydroxylinoleic acid
Peak:m/z	Relative Intensity
53.03930	2.2
55.01865	6.0
55.05501	26.6
55.37382	1.3
57.03428	2.2
57.07064	4.2
60.04510	1.6
62.62849	1.4
67.05494	40.3
69.03423	6.7
69.07055	91.2
70.02952	4.0
70.06572	10.8
70.79606	4.1
71.04981	5.6
71.08598	1.9
73.06548	8.6
77.08448	1.3
79.05482	27.4
81.07041	45.5
83.04970	5.3
83.08603	16.8
85.06543	9.4
86.06039	8.0
87.04447	13.2
91.05463	15.2
93.07029	26.6
95.04953	3.7
95.08586	29.8
95.09155	2.3
97.06516	22.0
97.10157	13.7
98.05401	2.9
98.06037	47.8
99.08089	2.3
103.05475	1.6
105.07017	13.5
107.08569	23.5
109.06512	2.7
109.10130	15.3
110.10420	1.7
111.08071	4.1
111.11734	1.4
112.07558	1.7
115.07550	20.9
117.07020	2.8
118.10269	1.2
119.08569	11.8
120.31825	1.2
121.10121	21.6
123.08048	2.5
123.11677	5.2
125.09595	14.6
131.08577	4.7
133.10115	10.1
135.08075	2.2
135.11668	21.3
136.06143	1.4
139.11159	1.7
145.02791	2.1
145.10115	6.0
147.11653	17.0
149.09613	1.9
149.13240	6.1
151.11160	2.2
157.10115	2.1
159.11710	4.2
161.13246	6.3
163.11189	3.1
163.14793	3.7
165.12746	4.3
171.11678	3.4
173.11801	1.6
173.13255	2.8
175.14813	3.1
177.05481	1.7
177.12677	2.0
179.14313	3.3
181.12292	1.8
181.15721	2.1
184.20558	7.7
185.13248	2.1
189.09729	1.4
189.11220	5.3
189.12750	2.5
193.15840	2.1
195.13834	2.5
207.13756	1.9
221.15335	2.9
227.12881	1.6
235.16885	1.5
241.19495	6.3
252.23222	8.4
259.20575	13.8
270.24237	100.0
277.21570	44.9
278.21890	3.2
295.22641	33.1
296.18741	1.5
296.22430	2.7
313.24225	9.0
313.27621	1.8
314.13815	6.0
314.23520	1.9
314.26846	34.1
314.30328	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	313.2367
Annotation	9,10-Epoxy-13-hydroxy-11-octadecenoate
Peak:m/z	Relative Intensity
53.03934	3.3
55.01864	17.7
55.05505	41.9
57.03412	5.6
57.07070	5.7
59.74561	2.5
67.05497	72.2
69.03427	4.4
69.07056	35.1
71.04979	6.8
71.08626	26.3
71.14095	5.5
71.14441	4.3
72.08125	4.2
79.05485	40.0
81.03394	7.3
81.07047	77.5
83.04961	14.6
83.08610	36.6
84.04473	4.0
84.08127	10.0
85.06532	6.9
91.05466	34.2
93.07031	50.6
95.04933	8.2
95.06017	4.6
95.08033	4.4
95.08592	47.4
97.06516	19.3
97.10152	9.9
99.08077	25.9
105.00071	3.1
105.07020	34.6
105.07695	5.2
105.63155	2.3
107.04944	5.0
107.08578	34.7
109.06483	6.2
109.10133	24.8
111.08071	19.4
111.52465	2.8
113.07121	3.5
113.09638	6.9
117.06985	7.9
118.65990	2.4
119.08561	24.4
121.10120	19.2
123.08044	7.7
123.11652	7.3
125.09634	9.8
127.11220	3.0
129.06989	5.0
131.08549	9.1
133.10109	24.5
134.80269	3.3
135.11693	18.5
137.09621	5.9
139.11151	15.5
143.08554	4.1
145.10110	9.4
147.11655	23.6
149.09642	6.2
149.13254	24.6
151.11188	20.1
157.10136	3.5
159.11652	11.8
161.13248	14.9
163.11168	13.7
165.12758	20.4
167.14345	4.5
171.11646	3.8
173.11697	10.0
173.13080	3.4
175.14798	6.0
177.05449	5.1
177.12732	6.0
178.89288	2.7
179.14302	12.4
181.12149	3.0
184.91458	3.5
185.13313	3.4
189.11160	3.3
193.12192	4.2
195.13802	21.3
199.14648	3.4
213.14796	7.0
221.15295	3.3
231.21107	4.6
241.19398	4.8
249.22072	12.0
252.26913	4.2
259.20596	11.1
277.21594	100.0
278.21957	6.7
281.08072	4.5
295.22617	51.7
296.22748	3.7
298.10687	3.5
313.24811	6.6
313.28412	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	313.2005
Annotation	Methynolide
Peak:m/z	Relative Intensity
50.63413	2.7
51.96295	2.9
55.01621	4.4
55.01868	61.8
55.05501	22.8
55.91722	3.0
57.03418	6.8
57.07068	15.2
59.31239	2.5
67.05496	33.3
69.03400	7.4
69.07059	30.8
69.39669	12.9
69.40094	17.6
70.06583	3.9
71.01340	3.2
71.04977	6.3
71.08617	15.6
79.05490	14.9
81.03404	6.8
81.07049	37.2
83.04970	7.6
83.08601	12.4
85.02854	4.7
85.06551	3.1
86.09683	3.3
87.00790	3.5
88.66308	2.6
91.05460	18.3
93.07038	16.4
95.04940	12.7
95.08593	39.3
97.02860	5.6
97.06548	5.6
97.10157	14.1
99.04433	3.2
99.08070	8.5
101.02367	16.6
105.03397	5.1
105.07005	11.0
107.04947	5.2
107.08575	9.0
109.02863	5.6
109.06467	8.0
109.10143	17.5
111.04406	5.1
111.08028	3.2
113.02359	60.3
119.04887	3.9
119.08562	8.7
121.06490	5.9
121.10107	12.3
123.04399	9.6
123.08038	8.1
123.11678	4.5
125.02353	20.0
125.05981	10.3
131.08534	5.0
133.06483	6.0
133.10136	8.0
135.08018	3.5
135.11639	4.4
136.06155	3.2
137.05977	7.1
139.03873	5.0
139.11148	4.1
145.10077	6.1
147.08028	4.7
149.05894	4.3
149.13277	3.4
151.07484	3.6
157.12206	28.7
163.07440	3.4
163.14799	3.9
191.10690	3.9
205.15837	3.5
207.17406	10.6
213.36658	2.9
217.15865	5.8
225.18443	4.8
233.15341	3.9
233.18947	21.1
235.16899	3.6
239.16368	44.1
249.18484	45.8
251.19899	5.9
277.17889	10.2
277.20923	2.9
295.18985	12.3
298.10635	5.2
299.11484	4.4
313.10834	5.7
313.20053	100.0
313.27335	4.8
314.13806	23.4
314.20929	7.3
314.30368	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	313.2003
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	3.9
55.01862	67.2
55.05300	2.6
55.05506	28.0
56.69613	2.8
57.03413	5.4
57.07061	21.8
67.05498	33.8
69.03410	7.3
69.07059	29.9
70.06561	4.4
71.01340	6.4
71.08627	16.2
71.62572	3.4
72.08123	5.4
74.02431	2.7
79.05489	17.9
81.03391	10.8
81.06638	3.0
81.07053	37.6
82.07324	3.2
82.37769	2.5
83.04943	9.4
83.08596	22.4
85.02903	4.9
85.06516	3.3
85.10155	6.9
87.00794	7.0
91.05460	16.5
92.05778	3.1
93.07024	22.3
95.04926	10.7
95.08590	45.2
97.02856	7.7
97.06483	4.2
97.10132	9.1
99.04404	5.3
99.08055	4.6
101.02371	16.0
105.07037	15.4
107.04928	6.8
107.08591	13.4
109.02872	6.3
109.06487	9.1
109.10135	21.1
111.04380	7.3
111.08054	5.5
113.02354	62.9
117.06986	4.5
119.04935	3.3
119.08553	17.3
121.06484	13.2
121.10128	5.4
123.04372	12.2
123.08012	6.7
123.11687	7.5
125.02333	26.4
125.05962	14.3
125.09666	3.1
127.03879	2.7
129.06972	3.5
131.08540	7.7
133.06412	6.9
133.10114	11.1
135.04399	5.2
135.08003	4.9
135.11676	5.3
136.06143	5.7
137.05940	5.8
137.09605	4.1
139.03851	12.0
143.08496	3.6
145.06450	4.9
147.04378	3.1
147.11679	7.0
149.09610	3.4
149.13257	3.6
151.03841	3.5
151.07498	6.1
153.09138	2.9
157.09985	4.3
158.10414	2.6
161.09587	5.2
161.13268	2.7
163.11166	4.3
163.14758	4.3
171.11670	4.0
177.05368	3.8
179.14301	3.1
183.17418	6.1
189.12704	3.0
189.16345	4.9
195.63445	2.8
205.15881	3.4
207.17447	19.6
217.15855	3.1
225.18404	7.3
231.17366	3.9
233.15291	7.6
233.18938	28.3
235.16747	3.8
239.13968	4.2
239.16376	59.0
249.16100	3.9
249.18469	47.3
251.20000	5.4
265.17957	7.5
267.19440	5.7
267.28586	4.7
269.68515	3.2
275.19894	6.0
277.17874	23.7
277.20959	10.7
283.18936	3.5
287.59573	3.0
293.20734	3.2
295.18777	7.2
295.21866	7.4
298.10693	10.4
313.19965	100.0
313.27277	9.9
314.13922	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	312.2892
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	1.3
55.05504	49.2
56.05840	1.5
57.03411	2.0
57.07071	18.4
67.05493	4.4
68.05024	1.0
69.03422	7.4
69.07058	51.4
70.06569	2.7
70.07386	1.6
70.29315	2.2
70.29671	1.1
71.08624	10.2
72.08146	33.6
79.05465	1.7
80.05840	0.7
81.07042	4.5
82.07388	0.7
83.04984	0.9
83.08607	40.6
84.04483	2.1
84.08941	1.5
85.06538	0.7
85.10191	3.2
86.06053	20.4
86.09710	0.8
87.04458	28.0
88.27146	0.6
91.05479	1.1
93.07020	1.6
95.04942	0.8
95.08579	3.3
96.08925	1.1
97.10158	26.5
98.06033	1.0
98.98650	0.6
99.08079	0.7
102.05532	1.6
103.31437	0.7
104.07092	29.0
105.06977	0.9
107.08597	1.4
109.10165	1.2
110.06042	0.8
110.10445	0.7
111.08057	1.0
111.11697	6.4
116.07063	0.9
118.08636	23.7
121.10114	1.2
125.13251	1.2
127.70821	0.6
135.11681	0.8
153.05450	0.7
209.11700	0.8
210.12053	2.1
220.31171	0.6
223.46529	0.6
238.11528	1.4
266.28253	1.4
276.20508	0.8
294.21490	5.5
294.27966	1.0
295.22733	0.8
312.26004	8.9
312.28983	100.0
313.21451	0.7
313.29358	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	313.1063
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84105	0.2
55.05514	0.2
61.92997	0.1
63.02390	0.4
63.63929	0.2
67.05477	0.4
69.07079	0.1
69.93719	0.8
78.04705	0.4
79.05487	0.2
81.04543	0.2
81.07057	0.3
81.44064	0.2
83.73332	0.2
84.91257	0.2
89.03900	6.8
91.05471	1.2
91.77632	0.2
93.07060	0.2
95.04951	0.2
103.05434	0.8
106.04163	0.5
107.04943	5.1
109.10194	0.2
115.05437	0.7
117.03362	24.4
117.06999	1.6
118.03702	0.4
119.04957	0.3
127.05445	0.2
129.26578	0.2
131.04921	0.4
131.31174	0.2
134.03600	2.3
135.04399	1.6
137.05980	1.3
143.04953	0.2
145.02821	60.8
145.06458	14.2
146.03152	1.6
146.06804	0.3
147.04407	0.3
147.11647	0.2
148.02324	0.2
149.05957	8.7
151.03876	0.2
155.06021	0.7
158.06062	0.3
161.75679	0.2
162.03136	0.3
163.03853	0.4
163.07523	0.2
171.04413	0.3
175.07538	0.5
177.05440	100.0
178.05783	2.9
186.05472	1.7
189.05466	0.7
198.14856	0.2
235.58769	0.2
237.09056	0.2
269.11581	0.4
277.08484	0.3
313.10675	3.2
313.21234	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.2526
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43256	0.7
53.03919	0.7
55.01865	0.7
55.05263	0.7
55.05504	10.6
56.05031	3.9
57.03417	0.9
57.07067	4.4
58.06593	0.6
63.29173	0.6
64.90525	0.6
65.03915	0.7
67.05490	12.8
68.05006	2.3
69.03134	0.7
69.03424	6.6
69.07054	12.6
69.89635	1.6
69.90050	2.3
70.06583	3.5
71.04982	3.9
71.08605	2.1
72.08160	1.1
74.06064	0.7
79.05486	3.7
81.07040	13.6
82.06562	1.1
83.04951	2.9
83.08603	7.6
84.04491	10.2
84.08125	3.8
85.02887	1.6
85.10168	1.5
86.06053	20.6
86.09682	1.1
87.04453	27.9
93.07043	3.0
94.06543	1.5
95.04922	1.5
95.08586	14.1
96.08085	2.2
97.06511	2.2
97.10139	3.5
98.06036	10.5
98.20736	1.2
102.05511	3.4
103.33498	0.6
104.07082	6.2
105.07009	0.9
107.08546	2.3
109.10133	6.4
110.05986	0.7
111.08044	1.0
111.11742	0.7
112.07587	10.8
114.05518	3.5
117.03307	0.6
121.10092	2.0
123.11660	1.9
124.07575	5.3
130.04996	3.3
136.07582	0.8
140.07050	1.5
142.04979	1.8
142.08614	4.7
150.55112	0.6
156.10237	0.6
158.08089	5.1
177.05418	1.1
182.19081	1.8
198.22107	3.4
204.07355	1.4
208.20612	0.8
209.18959	13.0
210.22147	2.8
211.20514	1.3
221.08063	1.6
222.08347	4.8
222.22122	0.8
226.17888	0.8
226.21590	7.7
228.23138	0.9
266.21091	0.8
266.24536	1.4
268.22675	16.6
269.23068	1.0
276.13162	1.4
277.21515	0.9
282.24377	0.7
284.22446	0.9
284.25812	2.2
294.14133	1.9
294.21515	1.1
294.24286	2.8
296.22202	2.6
312.25269	100.0
313.03552	0.8
313.25308	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	311.2574
Annotation	2-(5-Methoxy-5-methyltetrahydro-2-furanyl)-6,10-dimethyl-5,9-undecadien-2-ol
Peak:m/z	Relative Intensity
50.84395	0.4
53.03923	0.6
55.01852	1.3
55.05500	35.3
57.03150	0.5
57.03426	14.5
57.07066	17.3
58.07410	0.4
58.94425	0.4
59.00214	0.4
61.41949	0.4
67.05497	4.8
67.05830	0.7
69.07055	41.2
69.42226	1.8
69.42655	1.9
70.07386	0.6
71.04968	0.4
71.08619	10.8
73.02876	0.7
73.06525	0.8
79.05481	3.6
79.57102	0.4
81.07040	6.4
83.04951	0.9
83.08603	37.3
84.08920	0.8
85.10158	4.1
91.05428	0.7
93.07034	4.7
95.08582	5.5
97.06509	3.1
97.10152	25.7
98.10463	0.6
107.08578	3.5
108.32355	0.4
109.10127	1.6
111.08070	1.9
111.11008	0.7
111.11702	8.0
121.10102	4.9
123.11678	0.9
125.09609	1.2
125.13217	2.3
129.74951	0.4
135.11681	3.0
137.13217	1.0
139.11067	0.6
140.52260	0.4
149.13229	2.2
163.14839	0.7
168.57686	0.6
190.57320	0.4
208.39322	0.4
219.21010	2.0
226.65082	0.4
237.22081	1.0
246.88959	0.4
311.25742	100.0
312.26114	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	311.2362
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.4
55.01868	2.8
55.05502	21.7
57.03422	7.0
57.07054	7.4
58.45615	2.6
65.03921	5.3
67.05492	40.3
69.07053	55.1
69.76225	4.9
69.76631	11.0
71.04961	5.1
79.05488	21.3
81.03407	5.7
81.07039	46.2
83.04965	4.0
83.08595	12.4
88.41805	2.7
91.05465	36.1
93.07030	100.0
95.04954	54.8
95.08585	83.8
97.06497	29.0
97.10160	5.2
103.05419	3.5
105.07011	75.3
107.04904	3.7
107.08576	50.2
109.06510	15.1
109.10136	37.2
109.62355	2.5
115.05479	3.4
117.06970	16.8
119.08553	72.9
121.06490	19.2
121.09296	4.3
121.10117	46.4
123.08046	22.0
123.11680	15.5
128.06189	3.4
129.06993	7.4
130.07767	3.4
131.08549	25.3
133.10136	33.9
135.08018	10.1
135.11685	16.6
137.09593	3.8
137.13269	7.0
141.06966	3.8
142.07745	7.9
143.08542	12.8
145.10095	33.1
147.11659	25.1
149.09645	3.7
149.13289	5.3
155.08490	5.3
156.09329	4.6
157.10080	24.4
159.11665	47.2
161.09593	13.4
161.13200	12.2
163.11183	4.7
169.10092	9.8
171.11671	14.2
173.13242	11.2
175.14783	13.6
177.16362	25.8
181.10167	2.9
183.11688	5.6
185.09616	2.5
185.13249	9.5
187.11183	5.3
187.14836	8.6
189.16350	14.2
197.13235	10.0
199.14813	8.8
201.16377	10.4
203.17926	8.1
208.12628	3.4
209.11662	6.5
211.14771	6.4
213.16310	6.7
215.17844	6.6
219.17380	7.6
223.14784	7.4
237.11168	5.8
237.16325	4.3
251.17947	3.0
255.12233	4.8
255.21031	5.3
293.22717	6.2
299.57748	2.6
311.23059	33.4
311.31421	3.6
312.23743	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	312.1648
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.5
55.01868	2.0
57.03432	4.9
59.12730	0.7
61.02919	8.3
61.90508	0.7
63.93593	0.6
65.23470	0.7
67.05494	0.8
69.03062	1.3
69.03419	15.4
69.07063	10.1
69.69680	4.9
70.06584	3.8
71.04974	2.3
72.08151	2.2
73.02897	5.0
73.06559	0.6
74.44576	0.6
81.03403	5.9
84.04489	0.9
84.08125	4.6
85.02893	100.0
86.09689	3.3
87.04453	2.8
87.08095	13.9
88.53651	0.8
91.03939	6.1
91.05494	0.9
97.02876	24.4
98.21377	1.6
99.04450	3.6
105.07095	0.8
105.09126	1.7
109.02869	7.2
110.07172	1.0
115.03960	1.5
120.08075	1.9
127.03902	24.7
127.70136	0.7
129.10237	2.1
129.85463	0.7
133.08575	6.5
136.07506	0.9
145.04938	50.7
146.05350	0.9
150.05501	2.9
151.03882	4.5
163.06003	12.8
180.08694	0.7
204.64137	0.8
312.18332	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	311.2213
Annotation	(9Z,12Z,15Z)-(7S,8S)-Dihydroxyoctadeca-9,12,15-trienoic acid
Peak:m/z	Relative Intensity
53.03930	2.1
55.01853	4.8
55.05503	22.9
57.03420	5.1
57.07056	4.6
59.04973	2.3
60.87109	1.3
67.05499	55.3
67.05862	2.9
69.03408	5.6
69.07055	13.7
69.75546	10.8
71.04987	8.5
71.08625	52.7
79.05480	20.9
81.03408	7.5
81.07043	36.4
83.04971	20.4
83.06087	2.3
83.08602	14.6
85.02877	5.7
85.06529	4.4
91.05464	19.7
93.07033	26.3
95.04964	10.0
95.08593	43.2
97.03896	1.4
97.06526	6.9
97.10133	7.5
98.21377	2.3
99.08079	36.2
100.11275	8.5
101.11607	1.7
105.07015	15.0
105.55018	1.4
107.04937	3.8
107.08594	13.6
109.06489	4.5
109.10143	37.8
110.07144	1.6
111.04403	1.8
111.05556	4.5
111.08078	5.3
113.05945	2.2
117.07029	8.3
118.03000	1.8
119.08572	14.4
121.06494	3.9
121.10147	9.2
123.08032	2.8
123.11683	2.6
125.09608	6.8
127.11164	2.1
130.04999	1.9
131.08569	8.2
133.02821	2.2
133.10100	14.0
135.08032	2.5
135.11681	5.5
137.05922	2.3
137.09584	11.3
139.11157	42.0
143.08595	1.7
145.06464	3.6
145.10086	4.5
147.11688	4.9
149.06023	1.7
149.09689	2.7
149.13249	5.4
151.11166	27.6
153.12709	2.5
155.10625	18.1
157.10133	2.4
159.11685	7.7
161.05977	2.1
161.09576	8.7
163.11194	3.6
165.12746	4.5
167.14282	2.0
173.05991	8.4
173.11755	17.7
173.13185	2.5
175.07533	5.3
175.11180	1.8
177.05365	1.5
177.12753	11.9
179.10637	7.1
183.15939	2.1
183.66301	2.5
191.07042	8.1
191.14268	1.9
195.13838	6.4
203.07014	24.1
209.11775	1.8
210.14851	2.6
215.06911	2.0
215.67683	1.6
221.08063	97.8
222.08339	4.5
224.68378	2.1
233.08098	3.8
247.20950	6.6
257.18909	7.0
265.21625	3.5
267.25131	4.1
275.12729	23.5
275.15390	2.4
275.19989	30.7
276.13037	1.7
281.21075	2.4
293.13818	29.6
293.21054	100.0
294.14139	1.8
294.21323	1.9
296.74655	9.1
310.74423	8.9
311.22101	24.8
312.25748	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2213
Annotation	Porrigenic acid
Peak:m/z	Relative Intensity
53.03931	2.4
53.80992	0.8
55.01863	7.7
55.05506	42.8
57.03431	1.1
57.07056	2.6
57.08741	0.8
59.04992	1.3
60.34037	0.8
61.85427	0.8
65.03925	0.9
67.05496	26.5
69.03424	5.8
69.07062	10.8
70.93605	2.4
71.04993	2.3
71.08625	10.3
79.05486	19.4
79.35133	0.9
81.02971	1.1
81.03406	13.7
81.07050	23.9
83.04965	14.4
83.08128	1.8
83.08610	30.7
84.04480	1.7
85.02897	2.8
85.06522	1.8
87.04456	1.6
91.05466	10.5
93.07028	14.1
95.04962	24.4
95.08597	11.6
97.06513	3.8
97.10162	23.5
99.04430	2.2
99.08086	11.5
101.06017	0.9
101.09657	1.0
105.07031	8.4
107.04951	4.4
107.08588	16.1
109.06488	4.1
109.10157	8.3
111.04440	10.3
111.05568	2.0
111.08081	6.5
113.06001	1.3
115.05466	1.4
117.06995	5.5
119.08588	7.9
121.06506	1.7
121.10145	5.7
123.08064	2.6
123.11701	2.0
125.08721	1.6
125.09610	20.0
129.06953	2.6
131.08551	4.8
133.06483	1.0
133.10106	4.6
135.08035	4.2
135.11652	6.6
137.05916	0.9
137.09613	1.5
139.11169	3.2
141.12654	1.1
143.08542	0.8
143.10638	1.3
145.06491	1.9
145.10117	7.3
147.08029	1.5
147.11658	4.6
149.09599	6.8
149.13211	1.0
153.09068	5.3
153.12729	3.0
155.08549	1.0
157.10133	3.1
159.08128	1.5
159.11690	2.9
161.09541	1.7
161.13214	1.6
163.11162	32.0
165.12708	3.7
167.10675	2.7
169.10150	2.0
173.05954	6.8
173.13141	1.5
175.07489	3.1
175.11151	1.9
177.12720	3.2
181.12195	3.5
183.08336	0.8
185.11722	1.5
187.07533	1.2
187.11131	1.6
189.11183	16.9
191.07021	3.9
191.10574	2.3
193.12267	5.9
195.13774	9.2
203.07042	11.7
204.07498	1.2
205.08481	1.0
205.12141	1.5
209.11714	1.6
211.13182	6.1
215.06952	1.7
221.08060	54.8
222.08421	3.6
223.13326	9.3
223.18959	0.9
227.12766	1.8
229.19621	1.3
233.08018	2.1
237.11137	1.0
239.18037	0.9
247.20558	4.0
249.22136	2.2
257.11685	2.3
257.18979	3.6
265.21588	1.6
275.12762	14.0
275.17566	0.8
275.20023	19.0
276.13150	1.5
276.20416	0.9
293.13986	16.6
293.21078	100.0
294.14206	1.7
294.21277	4.1
311.12729	2.1
311.16486	1.0
311.22223	12.6
312.19513	0.9
312.25385	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	311.2211
Annotation	trans-EKODE-(E)-Ib
Peak:m/z	Relative Intensity
53.03915	0.5
55.01858	1.1
55.05502	9.8
57.03410	1.9
57.07062	6.2
59.04993	0.6
63.12170	0.5
67.05167	0.6
67.05494	8.6
69.03419	0.6
69.07063	6.8
69.45883	2.2
69.46304	2.1
70.46772	0.4
71.08617	9.1
77.76860	0.5
79.05127	0.5
79.05490	6.6
81.03381	0.6
81.07042	10.0
83.04948	1.6
83.08608	5.7
85.06546	0.9
85.10154	0.6
91.05481	3.0
93.07033	4.8
95.04965	3.0
95.08035	0.7
95.08588	6.7
96.85346	0.5
97.06522	1.2
97.10155	6.7
99.08092	4.6
105.07021	4.8
107.04933	1.6
107.08576	4.4
108.05719	0.9
109.06484	2.3
109.10133	1.8
111.04416	2.5
111.05548	0.5
111.08004	0.9
113.25169	0.5
117.06971	1.2
119.08554	1.3
121.06504	2.6
121.10123	1.6
123.11678	1.2
125.05968	1.1
125.09592	2.2
128.45338	0.6
131.08562	1.5
132.05727	0.5
133.10088	1.8
135.08049	1.3
135.11642	1.3
139.11169	0.8
145.10086	1.8
147.11650	0.6
149.13248	1.1
151.11160	1.2
153.05443	2.2
157.10072	0.7
163.11148	0.6
165.12709	3.4
177.12753	1.6
181.04865	0.7
181.12239	0.9
189.11180	2.0
191.10678	1.5
209.11697	14.4
219.21091	0.9
237.11194	11.4
237.22121	1.2
238.11575	0.5
247.20576	0.6
255.12234	3.2
265.21542	0.7
275.20062	6.1
293.21063	100.0
294.21362	3.9
311.18631	0.9
311.25793	7.0
311.31097	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2209
Annotation	(9Z,12Z,15Z)-(7S,8S)-Dihydroxyoctadeca-9,12,15-trienoic acid
Peak:m/z	Relative Intensity
53.03952	5.5
55.01855	14.3
55.05494	34.9
57.03411	7.4
57.07065	36.7
59.04988	4.2
61.48995	3.7
67.05488	93.5
69.03423	6.2
69.07060	32.2
69.40990	14.5
69.41413	21.4
70.06567	3.8
71.04984	10.4
71.08614	17.5
79.05474	75.0
81.03403	27.3
81.07041	100.0
83.04957	19.2
83.08611	11.6
85.06523	8.0
85.10172	49.6
87.80004	3.9
91.05459	48.2
91.43623	4.6
93.07031	60.4
95.04960	29.5
95.08583	82.6
97.06506	21.9
97.10128	8.4
99.08076	18.9
103.05477	4.4
105.07004	44.1
105.07600	5.8
107.04945	11.6
107.08574	31.8
109.06504	15.0
109.10132	25.7
111.04470	3.8
111.08066	15.8
113.09616	80.6
117.06982	13.6
119.08560	32.6
121.06465	18.2
121.10084	37.3
123.08043	59.1
123.11691	13.0
129.07025	6.2
131.08559	25.0
133.06435	5.1
133.10112	30.5
135.07993	4.7
135.11678	21.8
137.05988	5.2
137.09616	7.9
139.11200	7.1
141.09079	6.0
141.12733	9.4
145.10110	28.9
147.08054	18.9
147.11688	14.1
149.09613	13.6
149.13187	4.7
151.07516	39.7
151.11165	15.2
153.09135	5.5
153.12683	9.8
155.10637	7.8
159.11673	14.6
161.09605	16.7
161.13176	6.2
163.03908	7.7
163.11154	35.3
163.14725	4.9
165.09195	5.5
165.12706	32.2
167.14194	6.5
173.13268	7.3
179.10680	5.6
179.14206	7.4
181.12183	8.1
187.11197	5.4
191.14244	9.6
195.13499	4.8
206.06764	15.2
215.17926	9.9
221.07881	4.8
229.19476	13.5
231.21042	6.5
233.19005	14.1
234.06163	6.6
236.07808	16.5
247.20444	6.5
249.22145	19.5
251.20012	47.0
257.18942	19.4
264.07385	27.5
275.19977	69.2
293.21039	42.2
294.08359	50.4
301.93619	3.8
311.12988	5.9
311.22015	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	311.2212
Annotation	(9Z,12Z,15Z)-(7S,8S)-Dihydroxyoctadeca-9,12,15-trienoic acid
Peak:m/z	Relative Intensity
55.01845	18.5
55.02103	4.7
55.05496	38.1
56.05022	5.0
56.80476	4.5
56.96534	6.4
57.03410	11.6
57.07071	30.4
65.03912	5.3
67.05158	7.7
67.05489	86.4
67.61299	4.4
69.03403	15.3
69.07050	41.9
70.06575	10.6
71.04977	14.9
71.08620	29.4
71.61914	7.7
72.08149	9.0
72.90601	3.7
73.06539	8.4
75.64108	3.7
79.05059	5.7
79.05479	75.4
81.03407	31.9
81.06574	5.7
81.07041	100.0
82.07365	4.9
83.04961	57.3
83.08601	18.6
84.04490	6.9
84.08123	10.9
85.02883	11.0
85.06527	13.3
85.10167	51.7
86.09667	5.6
86.52467	5.1
91.05460	49.5
93.03304	4.3
93.07031	72.8
95.04967	23.8
95.08585	72.9
97.02846	5.6
97.06503	23.0
97.10133	14.5
99.04413	8.3
99.08094	30.0
101.05983	5.0
103.05474	6.0
105.07012	59.2
107.04922	13.4
107.08578	37.5
109.06483	17.0
109.10145	28.1
110.07115	11.5
110.45335	4.4
111.04391	6.2
111.08070	20.1
113.09625	74.5
115.33728	4.2
117.06979	16.3
119.08571	54.0
120.08147	6.7
121.06501	14.8
121.10119	46.1
123.04389	4.8
123.08054	57.4
123.11691	13.9
125.06017	4.8
125.09595	7.2
129.06967	9.4
131.08566	23.8
133.10095	35.4
135.08020	13.2
135.11670	21.2
137.05956	14.0
137.09564	12.7
137.13136	6.1
139.11172	7.9
141.09077	10.1
141.12704	5.2
143.08519	11.7
145.10112	33.9
147.08012	17.2
147.11644	18.0
149.02304	25.1
149.09607	22.2
149.13226	11.1
151.07516	26.3
151.11160	15.6
155.10609	10.3
157.10153	8.8
159.08072	6.2
159.11662	17.9
161.09552	13.9
161.13210	7.8
163.03888	11.4
163.11143	49.8
165.12720	29.3
167.14398	5.2
169.08612	5.2
172.46236	5.6
173.09537	8.1
173.13199	9.7
175.11165	5.6
177.00885	4.6
177.12679	13.9
179.10648	5.6
183.11679	7.0
187.09634	10.9
187.11234	8.5
187.14780	5.3
191.14238	8.9
193.12268	5.3
205.12138	6.6
215.17917	9.9
220.18864	5.9
221.07997	4.9
229.19400	11.2
233.18971	15.9
237.11182	5.4
247.20415	8.9
249.22139	18.0
251.20000	32.2
257.15591	4.6
257.18939	18.7
265.21008	6.4
275.20010	74.3
279.10168	6.2
293.13385	6.6
293.21060	68.6
311.09314	10.8
311.12891	19.0
311.21765	27.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2211
Annotation	trans-EKODE-(E)-Ib
Peak:m/z	Relative Intensity
55.01855	2.2
55.05502	11.4
55.90354	0.5
57.03407	0.7
57.07063	6.8
60.55867	0.6
67.05493	7.6
68.94292	0.6
69.03405	1.3
69.07057	6.3
71.04963	0.9
71.08620	8.8
71.63284	1.1
79.05485	6.2
81.03391	1.9
81.07047	6.5
83.04961	3.0
83.08602	6.1
91.05477	3.1
93.07023	4.4
95.04945	3.4
95.08601	4.1
97.06503	1.3
97.10152	8.7
99.08080	4.8
101.05984	0.7
105.07034	2.6
107.04951	3.2
107.08591	5.1
109.06507	1.3
109.10134	1.6
111.04411	3.5
111.08075	1.1
117.06963	1.0
119.08561	1.8
121.06506	3.9
121.10119	1.5
123.08040	0.7
125.05941	1.1
125.09610	7.0
126.09959	0.7
131.08548	1.5
133.10121	1.5
135.04424	0.8
135.08044	1.5
135.11687	1.0
143.08496	1.1
145.10057	1.6
147.11652	1.0
149.09569	0.6
149.13222	0.8
151.11172	1.5
153.05424	3.2
153.09143	0.7
155.08530	0.7
157.10063	0.9
159.11682	1.2
161.09642	0.8
163.11200	1.3
165.12735	0.6
167.10573	0.8
169.10176	0.7
171.11720	0.7
177.12726	1.7
181.04872	1.0
181.12157	1.2
187.11154	1.1
189.11134	2.6
191.10651	2.5
193.12132	0.9
199.14706	0.6
209.11688	16.4
209.13629	1.1
209.51566	0.6
210.11990	1.1
211.13251	0.8
229.19505	0.8
237.11166	15.0
237.14775	0.9
238.11700	0.6
255.12215	4.9
257.18994	0.9
275.20023	6.3
276.20441	0.6
293.21060	100.0
294.21402	4.6
311.18594	0.8
311.20197	0.7
311.23141	3.9
311.31287	1.7
312.28964	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2212
Annotation	Porrigenic acid
Peak:m/z	Relative Intensity
53.03930	2.4
55.01867	3.8
55.05501	17.9
56.86012	1.4
57.03422	5.2
57.07063	16.4
67.05489	24.9
69.03410	3.1
69.07058	23.7
69.43909	14.0
70.06572	1.9
70.14959	1.4
71.04997	2.6
71.08617	3.6
79.03252	1.7
79.05479	16.5
81.07043	27.9
83.04962	6.4
83.08601	9.0
84.04503	3.1
85.06548	2.2
86.06046	2.7
86.09687	1.9
87.04470	2.6
91.05479	9.0
93.07025	18.9
95.04939	4.6
95.08604	16.7
97.06509	5.0
97.10172	6.8
98.06065	1.6
105.07011	15.7
107.04931	4.6
107.08574	13.9
109.02854	1.7
109.06495	6.0
109.10146	9.0
110.06010	1.3
111.04417	7.2
111.08055	3.2
117.07018	4.8
118.85435	1.5
119.08575	9.5
121.06488	8.5
121.10119	7.6
123.08016	2.4
123.11690	3.1
125.05996	4.1
125.09576	2.4
131.08574	8.7
131.94756	1.3
133.06583	1.7
133.10101	14.0
135.04393	1.5
135.08025	2.3
135.11670	6.1
137.09601	3.7
143.08568	2.6
145.10109	7.8
147.08058	2.3
147.11624	8.1
149.09578	5.5
149.13269	3.4
151.11154	5.1
153.05428	6.2
153.12737	1.6
159.07886	1.6
159.11707	5.2
161.09584	2.8
161.13181	2.7
163.11136	6.2
171.57524	1.6
173.09575	3.9
173.13264	3.6
177.12865	1.4
181.05089	1.7
181.12196	2.4
183.11517	1.8
191.10652	5.2
191.14297	2.3
201.12735	2.1
207.13866	2.4
209.11687	38.4
209.13611	2.4
210.11948	1.9
219.13731	2.7
224.16298	1.5
224.20061	1.8
225.20442	5.3
229.19522	3.0
237.11186	31.0
237.13431	2.5
238.11525	1.8
239.17883	1.8
247.20602	2.1
255.12195	8.9
257.18924	9.4
275.20013	100.0
276.20367	5.6
280.11133	1.4
287.48230	1.4
293.17551	4.8
293.20905	58.3
294.21457	3.7
311.18634	3.0
311.25525	11.8
312.21741	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2212
Annotation	(9Z,12Z,15Z)-(7S,8S)-Dihydroxyoctadeca-9,12,15-trienoic acid
Peak:m/z	Relative Intensity
55.01865	3.5
55.05494	9.0
57.07070	13.6
67.05499	34.4
69.03410	6.1
69.07062	30.5
70.06569	4.7
70.16987	8.0
71.04977	3.0
71.08616	4.4
79.05485	15.1
81.07052	42.0
83.04961	5.3
83.08595	7.4
85.06520	2.2
85.97618	1.8
88.07615	4.7
91.05465	11.4
93.07030	21.0
95.04935	5.7
95.08595	48.5
97.06525	3.1
97.10165	3.3
98.20870	3.1
99.08099	3.0
105.07015	14.4
107.08595	18.5
109.06490	2.9
109.10141	35.6
109.54399	2.1
111.04418	2.8
111.08080	3.9
112.72336	2.1
116.29080	1.8
117.07002	4.9
119.08563	15.6
121.06491	3.3
121.10122	15.2
123.08044	6.0
123.11670	10.5
125.09589	2.7
131.08583	9.3
133.10126	12.7
135.08043	7.1
135.11667	9.5
137.13211	2.0
139.11182	4.1
145.10085	10.6
147.11617	6.6
149.02344	15.9
149.05920	2.6
149.09615	10.7
149.13235	2.6
151.11200	4.0
159.11662	7.8
161.09608	2.8
161.13231	7.6
163.11201	5.4
165.12807	2.1
169.10091	2.9
171.11690	2.8
173.05920	2.9
173.13260	3.7
175.11208	3.4
177.12709	4.7
179.14296	4.5
191.06969	2.8
193.04988	26.7
194.05290	3.3
196.62517	6.6
200.19937	4.4
203.07047	9.0
209.11691	11.3
213.16338	3.4
215.17923	3.7
221.08083	39.5
224.65579	10.6
229.19461	3.5
237.11125	8.0
239.17944	3.3
246.58209	2.0
247.20595	6.3
251.20020	27.4
255.12363	2.3
256.26279	3.0
257.18964	8.6
265.21533	7.5
275.12704	8.2
275.20047	100.0
276.20309	6.0
293.13876	12.7
293.21085	31.0
311.24872	54.8
311.74689	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	311.2209
Annotation	Porrigenic acid
Peak:m/z	Relative Intensity
53.03926	2.2
55.01856	9.2
55.05501	22.1
57.03425	10.5
57.07064	31.2
59.04988	1.7
65.03915	3.5
67.05492	37.9
69.03405	6.1
69.07054	22.6
70.04047	1.5
70.06588	2.0
71.01360	2.1
71.04975	7.5
71.08615	3.0
71.62753	2.5
73.02895	2.0
79.05479	30.5
79.99196	1.5
81.03393	5.4
81.07043	50.0
83.04962	12.7
83.08602	11.5
85.02919	2.2
85.06537	4.6
85.69476	1.8
88.07623	3.1
91.05462	34.0
93.07026	34.0
94.07372	1.9
95.04964	9.2
95.08589	34.2
95.09158	3.0
97.06507	13.2
97.10169	7.8
99.08070	4.3
105.07013	21.9
107.04944	4.4
107.08571	26.8
109.02867	3.3
109.06486	10.9
109.10127	17.8
111.04420	20.4
111.08052	11.6
111.11761	1.7
113.05965	1.7
115.07527	2.1
117.06995	12.1
119.08550	25.9
121.06468	3.9
121.10128	20.2
123.08076	5.5
123.11684	5.0
125.06007	9.2
125.09625	9.3
127.07539	2.3
129.06995	3.7
131.08536	17.4
133.10098	18.9
135.04445	4.4
135.08032	4.8
135.11690	7.1
137.09523	8.1
139.11156	7.0
141.06955	2.2
142.05002	1.8
143.08571	3.4
145.10106	14.1
147.11673	12.6
149.02379	2.6
149.09615	9.8
149.13245	2.9
151.11171	4.4
153.05441	18.1
153.09026	2.7
153.12669	1.8
155.10670	2.7
157.10085	4.8
159.11618	8.6
161.09563	1.8
161.13206	5.6
163.03810	1.7
163.11105	11.8
163.14854	1.8
165.09145	1.9
165.12675	1.8
167.10614	2.5
169.10126	3.0
171.11658	4.3
173.13232	4.3
175.07524	1.7
175.11131	3.2
177.12798	2.7
181.05013	3.5
181.12210	7.6
183.11693	2.9
185.13217	4.4
187.11273	1.8
187.14835	2.3
189.11273	4.2
189.12762	2.7
191.10637	12.3
193.04953	8.9
199.14809	2.0
201.16371	2.5
203.12605	8.6
207.13873	2.0
209.11687	100.0
210.12015	5.1
213.16425	2.0
213.51559	1.9
219.17447	2.1
221.08018	10.0
221.15387	3.4
223.13231	2.7
224.65694	2.7
225.15857	2.0
235.16887	3.7
237.11174	89.0
238.11552	5.0
239.17979	5.6
247.20767	2.3
250.11963	1.9
255.12202	25.6
257.18961	9.8
265.21613	2.4
275.12790	4.2
275.20004	75.2
276.20380	2.6
293.14218	3.3
293.17456	11.6
293.21091	24.3
311.12997	1.8
311.18521	12.7
311.24542	20.7
311.74728	4.0
312.25305	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	311.2207
Annotation	12S,13S-Epoxy-9S-hydroxy-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
53.03936	2.3
55.01863	6.5
55.05504	9.5
57.06781	1.9
57.07066	33.8
58.63304	1.2
59.04997	1.2
65.53868	1.0
67.05495	16.9
69.03418	3.3
69.07050	8.2
70.06580	2.5
70.96055	3.8
71.01364	1.3
71.04977	3.6
71.08609	2.9
73.26857	1.0
79.05477	10.2
81.03414	5.0
81.07042	16.8
83.04961	9.7
83.08604	4.4
85.02897	2.0
91.05472	12.0
93.07030	11.2
95.04944	9.5
95.08597	14.7
97.06511	5.2
97.10165	3.7
98.20870	1.1
105.07015	14.6
107.04945	5.6
107.08580	7.0
109.02858	4.7
109.06499	5.4
109.10162	8.2
111.04433	22.0
111.08082	4.2
115.05418	1.3
117.07004	4.5
119.08566	7.6
121.06476	1.2
121.10129	9.0
123.08075	3.1
123.11681	1.2
125.05979	6.1
125.09624	3.6
129.06990	4.1
130.04980	1.4
131.08565	4.8
133.10109	12.1
135.04417	2.9
135.08012	1.4
135.11679	3.7
137.06004	2.8
137.09613	3.2
139.11188	2.6
143.08607	1.8
145.06477	1.5
145.10063	6.0
147.07872	1.2
147.11678	4.2
149.02351	4.6
149.09552	5.5
149.13351	1.2
150.02856	1.1
151.11188	1.8
153.05435	18.5
155.08530	1.7
155.10602	2.5
159.11699	5.0
163.11215	8.2
165.09167	1.6
169.10138	1.4
173.05962	1.9
173.11736	5.8
173.13092	2.9
177.09116	1.5
177.12691	2.1
179.14287	2.0
181.04926	5.0
181.12166	7.3
187.11261	1.7
191.10641	12.5
193.04932	10.6
196.62517	3.3
197.13214	1.2
200.20111	1.7
203.07077	2.0
209.11697	100.0
210.12086	3.7
219.08162	1.6
219.93755	1.2
221.08054	12.3
221.15425	2.8
223.11440	1.4
223.13351	5.3
224.65630	2.8
229.19485	1.4
234.46735	1.3
237.11191	83.9
238.11563	5.2
239.17917	4.3
247.20589	1.7
255.12233	25.1
255.14677	2.2
256.12540	2.1
257.18954	3.6
275.12704	3.9
275.20007	21.8
276.20380	1.6
279.10120	2.0
293.13861	3.7
293.17468	8.9
293.21075	20.6
294.21448	2.1
311.12726	1.3
311.18484	8.7
311.24380	21.1
311.74628	7.5
312.25055	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2211
Annotation	(9Z,12Z,15Z)-(7S,8S)-Dihydroxyoctadeca-9,12,15-trienoic acid
Peak:m/z	Relative Intensity
53.03935	1.9
55.01858	4.9
55.05503	17.8
57.03424	3.2
57.07067	1.9
67.05500	41.5
67.37057	1.7
69.03413	3.1
69.07058	18.1
70.68044	3.7
71.04986	3.0
73.02414	1.7
79.05486	23.9
81.03410	3.2
81.07047	49.5
82.05298	2.1
83.04945	5.2
83.06090	2.5
83.08614	9.9
85.06530	3.5
91.05474	26.3
93.07034	34.1
95.04952	6.8
95.08589	32.7
97.06496	5.7
97.10156	7.2
105.06373	2.8
105.07020	38.0
107.04951	3.0
107.08589	23.1
109.06513	8.6
109.10138	16.8
111.05541	19.8
111.08087	3.9
114.64048	1.5
117.07013	9.5
119.08572	30.6
119.90266	1.7
121.06471	3.2
121.10123	18.5
123.08034	5.8
123.11699	6.4
125.09630	7.3
127.07565	1.8
129.06969	2.5
131.08517	13.7
133.06546	2.5
133.10115	30.0
135.08012	5.8
135.11696	8.7
137.09567	5.1
139.11145	1.6
143.08495	2.8
145.10095	17.5
147.11679	17.5
149.09604	7.9
149.13246	4.6
151.11122	4.0
157.10060	4.1
159.11681	12.7
161.13246	5.2
163.11171	6.3
171.11684	4.0
173.05966	4.5
173.11845	1.7
173.13231	6.4
175.07523	2.2
175.11177	3.8
177.12740	3.4
183.11725	4.5
185.13304	1.9
189.11226	3.4
195.13834	4.5
197.13240	2.4
203.07022	7.6
205.19624	1.8
215.10385	1.7
221.08084	31.7
223.13322	2.1
229.19426	2.0
233.08144	2.0
235.16882	6.7
239.17928	4.1
247.20395	3.7
257.18954	13.9
265.21594	2.8
275.12741	6.0
275.20035	100.0
276.20297	3.6
293.13742	7.4
293.21207	19.8
311.23309	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	311.1482
Annotation	Lindenanolide G
Peak:m/z	Relative Intensity
52.65986	0.8
59.63202	0.7
59.87681	0.8
60.26268	0.8
70.41180	0.8
70.54832	3.6
71.04974	0.9
81.07017	1.1
105.07005	1.2
111.05540	2.4
117.06996	3.0
133.38637	0.9
145.06429	3.3
147.08029	0.9
173.05957	9.2
174.96581	1.0
175.07594	5.4
177.05420	2.2
187.07431	1.6
191.07019	7.1
203.06984	21.6
204.07324	0.9
205.08546	2.5
209.08096	2.8
209.39821	0.9
215.06984	2.4
221.08057	100.0
222.08379	4.2
229.12286	2.0
233.08080	3.8
257.11694	3.8
275.12732	25.2
293.13800	28.8
293.22018	1.0
294.14145	1.6
311.23138	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1484
Annotation	Lindenanolide G
Peak:m/z	Relative Intensity
54.02317	0.7
55.05481	2.3
55.60240	0.8
57.07048	1.0
65.03926	1.1
67.05494	6.2
69.03401	2.1
69.07055	4.4
69.99554	0.8
70.06561	3.0
71.04961	2.6
71.63065	1.3
72.08143	1.2
79.05483	3.9
81.07031	6.7
83.04943	1.9
83.08590	2.3
84.08130	2.1
85.06557	1.3
86.09676	1.2
91.05459	5.3
93.07022	3.5
94.06521	1.3
95.04958	1.1
95.08598	5.7
97.02920	0.9
97.06493	2.2
97.10139	1.0
105.07035	4.5
107.04913	1.6
107.08560	3.6
109.06526	1.3
109.10126	6.0
110.07120	2.7
111.05532	0.9
112.11246	1.8
115.05435	2.6
117.07028	5.9
117.47945	0.8
119.08573	2.3
121.10104	3.0
123.08017	2.3
123.11691	2.1
125.09649	0.9
129.06989	1.2
131.08539	1.5
133.10117	1.0
135.08017	0.9
135.11621	1.2
137.05952	3.6
142.45955	0.9
144.05695	1.0
145.06447	4.9
145.10089	2.9
147.08020	1.7
147.11591	0.9
149.05940	1.7
149.09584	1.6
150.05467	0.9
157.06371	1.0
159.07898	1.0
159.11662	1.4
161.05884	1.5
161.13190	1.0
163.03874	2.1
163.07475	1.9
173.05977	11.3
175.07468	5.8
177.05489	1.0
177.09071	1.0
184.07779	1.0
187.07527	2.1
189.09003	1.0
191.06996	7.6
191.08447	1.4
196.08725	1.2
197.09637	1.3
199.04050	0.9
203.06992	20.7
205.08508	1.9
209.08105	1.5
215.07072	1.7
218.07205	1.3
219.08044	2.0
221.08046	100.0
222.08403	2.5
229.12128	1.7
231.10208	1.1
233.07956	4.4
235.07489	1.2
247.07645	1.0
247.19946	0.9
250.09976	1.4
251.10695	1.4
257.11667	4.1
265.12201	2.0
265.21078	1.5
275.12717	21.0
275.19986	3.7
276.13281	1.5
279.10162	1.5
293.13782	31.4
293.20840	1.7
311.09344	1.4
311.12772	5.4
311.16156	1.3
311.21408	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1273
Annotation	7-Hydroxy-3-(4-methoxyphenyl)-4-propyl-2H-1-benzopyran-2-one
Peak:m/z	Relative Intensity
53.03932	0.8
55.01856	1.3
55.05499	1.2
59.06606	0.8
60.04519	1.0
61.01130	3.2
65.03928	1.1
67.05486	2.9
68.17495	0.8
69.03423	4.7
69.07044	2.3
70.06583	17.8
71.04990	4.3
71.06889	1.8
71.29586	1.6
72.08147	3.8
77.03929	1.0
79.05488	4.5
81.03397	1.9
81.07053	8.8
83.04967	0.9
84.08116	4.1
85.02891	2.0
85.06528	1.2
86.09676	4.4
87.04470	1.1
88.03950	0.9
88.65012	0.9
91.05466	13.5
93.07013	2.6
94.04160	3.3
94.04760	0.7
95.04951	1.3
95.08593	4.8
97.02850	2.4
97.06490	0.7
98.97586	1.0
99.83357	0.7
103.05437	3.1
105.03397	1.2
105.07021	12.9
107.04929	1.7
107.08546	2.0
108.08099	4.1
109.06512	5.8
109.10141	1.3
110.07160	1.1
115.03896	1.5
115.05451	3.6
115.08634	0.8
116.06995	0.8
118.06857	7.8
120.08083	4.2
121.06482	2.4
121.10143	1.4
122.03645	8.7
123.04396	1.4
128.06216	1.2
129.06967	3.2
129.10210	1.9
131.04915	1.8
131.08585	1.0
132.04448	1.3
133.02834	20.6
133.04951	1.9
133.06480	9.4
133.10085	1.0
134.05940	0.9
134.99739	0.8
135.11650	1.5
136.07541	1.4
136.95404	0.8
137.05954	100.0
137.13240	1.4
138.06308	1.5
144.05692	2.6
145.06482	1.8
147.08098	1.2
149.05949	5.0
150.05377	1.2
150.12814	1.4
151.03873	0.9
151.94069	0.9
154.35632	0.9
155.04895	6.8
159.08003	6.4
160.05186	1.0
161.05959	22.3
162.05466	4.4
164.14307	1.3
165.05672	3.7
165.06885	1.9
172.05086	1.7
173.05960	1.1
175.07561	2.7
177.05295	1.2
179.08588	1.0
180.09377	0.9
187.07515	24.2
188.08157	1.4
189.06967	3.3
190.07736	14.7
191.08537	34.4
192.08905	1.1
202.07744	2.0
205.06418	3.3
207.07990	3.4
208.06012	3.9
208.08742	3.9
208.13339	1.8
218.07253	9.6
219.08017	47.4
220.08723	4.5
220.97478	3.5
221.05917	2.2
223.11053	1.4
223.18188	1.0
225.09125	1.1
235.07617	3.8
236.08307	11.4
236.12431	0.8
237.09044	2.2
240.07814	1.1
246.06726	1.1
247.07483	20.9
247.09868	1.2
248.08188	2.2
249.05360	1.1
249.08951	1.3
251.10628	55.8
252.11044	3.1
253.08611	5.4
261.09082	3.0
263.06839	0.9
264.07736	6.4
265.08563	2.5
267.17023	7.0
268.10770	1.2
279.10123	59.6
280.10767	4.9
281.07959	6.7
283.09811	1.2
283.13306	1.5
287.14819	1.2
291.03799	1.3
293.10275	1.8
295.09671	1.2
296.10413	7.8
311.12726	71.9
311.19537	7.7
312.13162	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	311.1271
Annotation	7-Hydroxy-3-(4-methoxyphenyl)-4-propyl-2H-1-benzopyran-2-one
Peak:m/z	Relative Intensity
53.03946	0.7
55.01862	1.5
67.05486	2.0
69.07047	1.2
69.91379	3.3
70.06583	1.1
74.82306	0.6
77.27373	0.7
78.21172	0.6
79.05463	4.8
81.03387	1.0
81.07056	4.3
83.04980	0.7
84.08123	2.0
85.06576	0.9
86.09691	1.0
91.05455	4.7
93.07021	3.5
94.04158	2.8
95.04945	2.4
95.08611	1.2
96.02865	0.7
96.06429	0.7
98.21392	1.1
103.05469	1.5
105.03385	0.7
105.07016	7.9
107.04948	2.3
107.08569	1.6
109.06493	5.5
109.10149	0.9
115.05446	2.0
116.06240	0.8
117.03436	0.8
117.07001	0.9
119.08536	0.8
120.08101	0.7
121.06487	2.0
121.10159	2.6
122.03629	8.0
123.04375	0.8
128.06212	1.7
129.06990	4.7
129.10211	0.8
131.04897	2.0
131.08539	1.5
133.06480	4.4
133.10100	0.7
135.04329	0.7
136.06317	0.7
136.07512	0.7
137.05959	95.1
138.06282	1.9
141.06958	0.8
144.05684	3.0
145.06470	1.2
146.03535	1.0
147.08072	0.9
149.05974	6.2
149.09601	1.5
151.07509	1.9
153.06932	0.9
155.04907	7.2
156.05656	1.0
159.04512	0.7
159.08034	7.6
161.05980	12.2
163.03801	0.7
163.07567	0.7
165.06989	1.9
167.07051	0.9
167.08531	0.9
171.04327	1.0
172.05197	2.4
173.06343	0.7
175.07538	3.2
178.07683	0.8
179.08517	1.6
180.09407	1.2
187.07518	24.9
187.09135	1.5
188.08063	1.3
189.06995	4.6
189.09045	1.5
190.07748	16.5
191.08521	44.8
192.08907	2.7
193.06435	0.9
193.12122	0.9
195.08092	0.8
202.07739	1.4
203.08513	1.1
205.06448	1.7
207.07997	4.6
208.08783	6.6
209.09631	1.3
217.06409	1.0
218.07230	12.5
219.08020	65.5
220.08698	8.2
221.05872	2.8
222.06679	0.8
223.11139	1.0
227.07043	0.8
229.07574	1.2
233.09618	2.2
235.07523	7.2
236.08284	13.4
237.09026	3.2
245.69362	0.7
246.06796	2.4
247.07512	26.4
248.08179	4.9
249.05391	1.9
249.09099	0.9
250.09872	1.4
251.10634	85.7
252.10966	3.8
253.08559	6.3
261.09122	3.3
263.07016	2.7
264.07779	9.5
265.08435	3.9
267.10065	2.0
268.10846	2.3
279.10123	78.3
280.07587	1.1
280.10718	9.8
281.08023	10.7
282.08466	0.8
283.09747	1.4
283.13220	1.7
295.09576	2.4
296.10403	13.6
309.11261	1.2
311.12732	100.0
312.13058	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	310.3097
Annotation	Oleoyl Ethyl Amide
Peak:m/z	Relative Intensity
51.45151	0.4
55.05293	0.4
55.05505	4.6
56.01381	0.4
57.07060	3.7
67.05497	0.7
69.07055	5.0
70.78374	0.7
70.78734	1.2
71.08597	0.9
72.04502	69.5
75.60815	0.4
79.05460	0.6
81.07027	1.4
83.08611	3.7
85.10168	0.6
93.07009	0.9
95.08607	1.1
97.06501	0.5
97.10152	2.2
100.07606	1.9
107.08587	0.5
109.10141	0.8
111.08028	0.6
111.11721	0.9
114.09135	6.9
121.10133	0.6
128.10686	4.9
139.08551	0.5
142.12228	3.3
149.13185	0.5
156.13860	2.3
170.15417	1.1
184.16924	0.8
194.38962	0.4
198.18489	0.7
212.20175	0.4
226.21582	0.6
234.85834	0.4
254.24686	0.6
310.30969	100.0
311.31265	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	311.1271
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.7
55.01862	1.5
67.05486	2.0
69.07047	1.2
69.91379	3.3
70.06583	1.1
74.82306	0.6
77.27373	0.7
78.21172	0.6
79.05463	4.8
81.03387	1.0
81.07056	4.3
83.04980	0.7
84.08123	2.0
85.06576	0.9
86.09691	1.0
91.05455	4.7
93.07021	3.5
94.04158	2.8
95.04945	2.4
95.08611	1.2
96.02865	0.7
96.06429	0.7
98.21392	1.1
103.05469	1.5
105.03385	0.7
105.07016	7.9
107.04948	2.3
107.08569	1.6
109.06493	5.5
109.10149	0.9
115.05446	2.0
116.06240	0.8
117.03436	0.8
117.07001	0.9
119.08536	0.8
120.08101	0.7
121.06487	2.0
121.10159	2.6
122.03629	8.0
123.04375	0.8
128.06212	1.7
129.06990	4.7
129.10211	0.8
131.04897	2.0
131.08539	1.5
133.06480	4.4
133.10100	0.7
135.04329	0.7
136.06317	0.7
136.07512	0.7
137.05959	95.1
138.06282	1.9
141.06958	0.8
144.05684	3.0
145.06470	1.2
146.03535	1.0
147.08072	0.9
149.05974	6.2
149.09601	1.5
151.07509	1.9
153.06932	0.9
155.04907	7.2
156.05656	1.0
159.04512	0.7
159.08034	7.6
161.05980	12.2
163.03801	0.7
163.07567	0.7
165.06989	1.9
167.07051	0.9
167.08531	0.9
171.04327	1.0
172.05197	2.4
173.06343	0.7
175.07538	3.2
178.07683	0.8
179.08517	1.6
180.09407	1.2
187.07518	24.9
187.09135	1.5
188.08063	1.3
189.06995	4.6
189.09045	1.5
190.07748	16.5
191.08521	44.8
192.08907	2.7
193.06435	0.9
193.12122	0.9
195.08092	0.8
202.07739	1.4
203.08513	1.1
205.06448	1.7
207.07997	4.6
208.08783	6.6
209.09631	1.3
217.06409	1.0
218.07230	12.5
219.08020	65.5
220.08698	8.2
221.05872	2.8
222.06679	0.8
223.11139	1.0
227.07043	0.8
229.07574	1.2
233.09618	2.2
235.07523	7.2
236.08284	13.4
237.09026	3.2
245.69362	0.7
246.06796	2.4
247.07512	26.4
248.08179	4.9
249.05391	1.9
249.09099	0.9
250.09872	1.4
251.10634	85.7
252.10966	3.8
253.08559	6.3
261.09122	3.3
263.07016	2.7
264.07779	9.5
265.08435	3.9
267.10065	2.0
268.10846	2.3
279.10123	78.3
280.07587	1.1
280.10718	9.8
281.08023	10.7
282.08466	0.8
283.09747	1.4
283.13220	1.7
295.09576	2.4
296.10403	13.6
309.11261	1.2
311.12732	100.0
312.13058	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	310.2735
Annotation	Dicyclomine
Peak:m/z	Relative Intensity
53.03928	1.2
55.05502	29.9
56.05818	1.1
57.03422	1.2
57.07066	12.6
59.51304	0.8
67.05492	4.9
68.05006	4.4
68.05827	1.2
69.07055	27.3
70.04070	1.0
70.06580	60.6
70.07388	1.9
71.08614	5.5
79.05482	2.7
81.07038	6.8
82.07378	1.5
83.04970	1.2
83.08601	23.6
85.10144	0.8
91.05460	2.6
93.07026	1.8
95.04955	0.9
95.08595	4.5
96.08916	1.7
97.10147	11.8
100.07589	1.0
105.06972	1.4
107.08590	1.1
109.10151	2.6
111.04427	2.3
111.08060	1.0
111.11716	3.1
114.05516	11.2
116.07075	36.9
119.08529	0.7
121.10110	0.9
123.11647	0.8
128.07079	1.1
133.10121	1.0
137.07994	0.8
145.78490	0.7
153.05502	1.9
163.11110	1.4
178.36559	0.8
191.10654	1.3
209.11682	10.2
237.11176	9.1
255.12180	2.9
264.26859	3.3
275.20117	0.9
293.17758	1.5
293.21115	3.5
310.24457	7.1
310.27386	100.0
311.27908	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	309.2417
Annotation	Methyl (10E,12Z,15Z)-9-hydroxyoctadeca-10,12,15-trienoate
Peak:m/z	Relative Intensity
53.03934	1.9
55.01856	2.3
55.05504	18.3
55.76751	0.5
57.03431	16.6
57.07066	5.3
61.99835	0.7
65.03920	1.9
67.05494	52.9
68.05825	0.9
69.03414	0.8
69.07057	27.1
69.94314	3.0
71.04974	2.2
71.08616	1.3
79.05051	1.1
79.05484	16.4
81.03410	2.1
81.07046	60.7
81.11883	0.5
82.07407	0.7
83.04968	4.5
83.08130	0.9
83.08608	13.0
85.06521	2.5
85.10175	0.8
91.05465	13.9
93.07034	16.8
94.12832	0.5
95.04956	5.2
95.08593	44.7
97.06503	3.7
97.10152	6.9
99.08114	3.0
103.03946	0.6
105.07010	8.7
107.04959	1.7
107.08579	9.4
109.06497	7.1
109.10142	17.8
111.04417	2.6
111.08075	1.6
111.11696	1.7
113.05999	0.9
117.07008	1.6
119.08555	7.7
121.06509	0.7
121.10125	8.4
123.08035	2.4
123.11697	9.0
125.09628	1.8
129.05470	2.9
129.07033	0.8
131.08548	2.0
133.10120	8.3
135.08040	2.5
135.11667	6.6
136.93425	0.6
137.09605	2.0
137.13242	4.7
139.11163	0.7
141.09117	0.6
145.10146	1.2
147.08031	0.7
147.11655	5.0
149.09583	1.1
149.13229	2.1
151.11174	1.0
151.14801	3.8
153.12802	1.1
157.10091	0.9
159.11652	0.9
161.13181	3.8
171.11661	0.6
175.14830	1.9
179.14185	0.6
191.17923	0.6
193.19508	1.3
203.07050	0.6
217.15967	0.9
217.19463	11.0
235.20531	5.0
249.23219	0.6
263.73227	0.6
273.18430	3.0
291.19498	11.4
292.19659	0.7
304.63840	0.7
306.03580	0.7
309.24194	100.0
310.24554	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2417
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	12.7
55.01852	7.4
55.05500	18.0
57.03417	2.5
57.07050	5.0
59.04977	2.9
60.03003	1.4
67.05493	44.1
69.03398	1.6
69.06709	2.8
69.07056	31.1
69.89876	1.8
71.08598	3.7
71.09653	2.8
71.09982	2.4
79.05480	22.9
81.03405	40.1
81.07038	43.5
83.04973	10.3
83.08595	9.9
85.10153	3.0
91.05462	13.1
93.07033	27.3
94.19509	1.7
95.04956	27.3
95.08592	18.9
97.06504	6.5
97.10133	7.1
99.08062	2.7
105.07018	16.6
106.86643	1.7
107.08577	20.4
109.06479	6.9
109.10148	13.6
111.08047	3.1
113.09629	2.3
117.07078	2.5
119.08587	11.0
121.10136	10.4
123.11651	6.7
125.09593	6.4
129.06993	2.3
131.08522	3.9
133.10126	15.9
135.07994	4.9
135.11662	7.6
135.69025	1.7
137.09569	2.6
139.11153	2.1
145.10117	3.5
147.11668	9.1
149.13225	5.7
151.11154	29.1
153.09070	5.0
153.12741	2.1
153.95326	1.5
157.10097	2.6
159.11565	2.2
161.13248	8.8
163.11208	2.4
163.14803	3.0
165.12726	8.9
171.11699	3.0
175.11157	2.1
175.14821	2.4
179.14294	3.8
185.13281	3.2
193.12114	2.8
203.12740	8.3
207.13762	3.1
231.21027	6.4
241.19452	4.3
249.22058	3.5
259.20572	9.3
277.21573	100.0
278.21768	4.5
309.13452	2.0
309.24182	9.9
312.06909	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2419
Annotation	Methyl (10E,12Z,15Z)-9-hydroxyoctadeca-10,12,15-trienoate
Peak:m/z	Relative Intensity
53.03945	3.8
55.01870	2.8
55.05500	18.5
57.03438	9.2
57.07073	2.9
59.04998	2.2
65.03936	2.2
67.05493	37.3
67.15514	1.3
69.07055	16.0
69.10130	1.4
69.41923	7.1
69.42347	5.6
71.04984	3.6
71.08620	43.0
72.58356	1.2
79.05481	42.3
81.03402	8.4
81.07044	51.5
83.04972	9.3
83.08614	9.2
85.06534	3.6
86.79081	1.2
91.05464	23.9
93.07030	57.5
95.04945	7.9
95.08592	40.3
97.06523	8.7
97.10149	6.1
98.20734	1.7
99.08075	41.1
105.07005	15.6
105.26906	1.2
107.04953	4.4
107.08570	29.9
109.06501	4.4
109.10139	13.1
111.08078	3.8
113.09641	3.2
117.07025	4.3
119.08562	16.1
121.06469	1.5
121.10133	28.7
123.08044	4.9
123.11699	3.5
125.09638	1.5
127.11154	2.0
129.07002	1.5
131.08539	6.5
133.06502	1.3
133.10095	13.0
135.07996	1.5
135.11665	32.8
137.09586	4.8
139.11151	2.3
141.09067	3.7
143.08606	1.7
145.10100	7.5
147.11671	5.7
149.13231	10.6
151.11172	18.2
153.12723	3.6
157.10085	2.0
159.11684	5.1
161.13235	12.4
163.11169	6.3
163.14842	3.5
165.12700	1.9
171.11629	2.2
175.14763	3.1
177.12743	4.1
179.14281	100.0
181.12256	2.1
185.13322	3.2
187.14842	4.2
195.13792	2.8
199.14896	2.0
205.15945	1.6
207.13939	1.8
221.15297	3.7
235.16939	4.0
241.19489	4.6
259.20535	7.8
277.21588	70.0
278.21796	3.1
291.23117	4.1
303.70102	1.3
309.23755	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2206
Annotation	Callyspongenol A
Peak:m/z	Relative Intensity
53.03924	5.7
55.01846	2.8
55.05505	24.8
57.03406	10.9
57.07040	4.9
57.34003	2.5
61.44827	2.5
64.43368	2.4
67.05495	39.0
69.03400	3.2
69.06728	2.1
69.07054	22.7
69.86239	16.6
71.04949	4.9
71.08609	3.1
74.85385	2.2
79.05474	36.2
81.03374	5.2
81.06589	3.3
81.07043	57.3
83.08617	12.2
91.05460	46.6
93.07030	80.0
95.04952	65.8
95.08587	60.4
97.06505	24.2
97.10135	4.4
105.07011	92.8
107.08571	49.2
109.06508	12.6
109.09465	2.5
109.10138	28.2
115.05411	5.2
117.06994	16.7
119.08563	72.3
120.08098	2.7
121.06479	13.5
121.10126	100.0
122.10408	4.4
123.08022	13.9
123.11650	9.1
128.06151	7.4
129.06963	18.9
130.07742	5.9
131.08540	41.0
133.10117	50.7
135.07971	4.5
135.11678	14.8
141.06924	7.2
142.07741	16.0
143.08545	31.2
144.09213	7.2
145.09061	3.3
145.10104	58.6
147.08046	6.0
147.11658	14.6
149.09566	6.5
154.07565	3.1
155.08472	11.6
156.09224	10.8
157.10103	37.2
158.10809	7.0
159.08002	4.1
159.11668	47.3
160.11905	2.7
161.09517	8.4
161.13153	8.6
167.08481	4.8
168.09311	3.9
169.10085	22.4
170.10803	3.3
171.11671	20.4
173.13240	25.0
175.14677	10.0
179.08482	4.9
180.09309	3.1
181.10004	7.7
182.10709	4.0
183.11633	16.3
184.12352	6.0
185.13216	12.7
187.11224	13.8
187.14801	30.9
189.12704	3.8
193.09987	5.4
195.11526	9.7
197.09511	3.3
197.13239	15.0
197.14717	2.9
199.14828	13.1
200.15495	4.7
201.12605	4.3
201.16353	4.8
207.11566	8.1
209.13138	10.3
211.14642	11.5
213.16319	5.4
215.14189	3.2
221.13042	7.8
223.14713	6.2
225.16139	6.7
229.15729	4.3
235.14680	10.0
237.16182	3.6
239.14082	5.8
239.17798	5.2
249.16115	2.8
253.15672	9.9
253.19530	3.6
254.25021	2.9
265.19220	3.5
266.13739	2.5
281.22397	8.3
291.20984	15.3
309.21906	98.2
310.22131	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2055
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
52.14033	1.6
53.03924	6.0
55.01861	20.0
55.05505	26.8
57.03416	6.7
57.07062	2.9
57.41108	1.6
59.04980	3.8
65.03919	3.0
65.37249	1.9
67.05497	75.6
68.05825	4.2
69.03403	6.4
69.07060	25.3
70.04183	5.3
70.04601	3.8
70.06574	2.5
70.14628	1.5
71.04990	12.8
79.05050	2.6
79.05484	42.9
81.03404	8.3
81.07047	85.5
83.01336	2.3
83.04971	17.7
83.08607	13.5
85.02886	3.2
85.06525	6.0
86.06050	3.5
87.41814	1.7
91.04887	2.9
91.05466	52.0
91.06318	2.2
93.06461	3.6
93.07031	53.7
94.07339	3.6
95.03646	1.9
95.04952	16.1
95.08591	40.9
97.06516	10.7
97.10152	7.0
99.04422	5.3
99.08084	3.3
105.06298	2.1
105.07016	57.0
107.04957	9.0
107.08578	59.6
108.08907	1.8
109.06499	15.4
109.10141	86.9
110.10477	2.5
111.04427	5.2
111.08020	8.0
113.05968	5.0
117.07023	9.0
119.08572	21.1
121.06491	12.9
121.10117	14.1
122.05997	2.2
123.04341	2.0
123.08084	13.4
123.11709	12.9
125.05911	2.8
125.09599	5.2
127.05902	1.7
127.07522	5.5
129.06975	6.2
131.08563	13.8
133.06471	11.0
133.10110	100.0
134.10452	2.3
135.08028	6.7
135.11722	9.4
135.12595	2.0
137.05913	1.9
137.09589	5.4
139.07510	5.0
143.08551	7.5
145.10117	11.1
147.04399	2.1
147.08006	7.6
147.11655	6.8
149.09636	9.4
149.13231	2.3
151.11172	60.1
152.11516	2.3
157.10080	6.8
159.08044	2.3
159.11719	5.0
161.09628	11.8
161.13232	3.4
163.11148	4.2
165.09027	2.8
165.12720	2.2
169.12231	19.6
171.08049	1.7
171.11644	5.2
173.09618	2.2
175.11153	4.8
177.09099	2.6
177.12657	2.5
179.10667	4.7
181.08684	2.0
185.13266	2.5
189.12691	3.6
199.11212	1.7
203.14380	4.0
207.13698	2.9
215.12834	9.5
227.17976	1.9
242.76326	1.7
245.18994	16.1
255.17436	5.7
263.19815	10.9
273.15790	1.3
273.18475	35.4
274.18732	1.9
291.19357	61.4
292.19769	4.5
309.20163	22.4
309.24448	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	309.2056
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
53.03931	1.5
55.00944	0.6
55.01863	4.3
55.05505	19.1
57.03427	1.0
57.07063	1.2
67.05164	0.8
67.05493	11.1
69.03405	2.7
69.06714	0.9
69.07059	11.6
69.90726	0.8
69.91136	2.9
71.04967	1.4
71.08625	0.7
79.05055	0.7
79.05484	11.4
80.05791	0.6
81.03403	2.0
81.07049	15.8
82.07388	0.7
83.04961	2.5
83.08607	11.3
84.08096	0.6
85.06485	0.6
91.05471	7.5
93.07032	9.0
95.04956	6.1
95.08599	7.4
97.02890	2.2
97.06519	1.5
97.10155	15.1
105.07018	6.5
107.04941	2.5
107.08572	8.5
109.02834	0.5
109.06494	1.7
109.10134	3.5
111.04418	1.4
111.08047	1.7
117.07011	2.9
117.09187	0.5
119.08572	5.5
119.65775	0.6
121.06456	2.0
121.10135	3.5
123.04395	1.1
123.08060	5.2
123.08888	0.8
123.11686	1.3
125.08743	0.9
125.09612	10.9
129.06958	1.2
131.08566	4.7
133.06461	2.2
133.10107	3.2
134.07240	0.9
135.08011	2.3
135.11649	1.3
137.05960	2.3
137.09578	2.3
143.08517	1.7
145.10144	3.4
147.04353	0.7
147.08049	3.3
147.11641	1.9
149.09619	1.1
153.09074	1.2
157.10088	1.3
159.11664	1.2
161.09592	1.4
163.11143	0.9
165.09074	2.3
171.04068	0.6
171.11674	1.3
173.09550	0.7
175.11189	1.7
183.11667	0.7
189.11168	8.8
189.12709	1.2
193.12169	1.0
217.15784	0.7
221.11786	0.6
223.13269	6.3
227.12624	0.6
227.17842	0.7
245.18999	0.9
248.87715	0.6
249.14804	0.7
255.17487	1.3
263.19989	0.8
273.18457	9.8
291.19501	100.0
292.19806	6.0
309.20557	3.3
309.23877	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2054
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
53.09151	1.9
54.86393	1.5
55.01857	7.4
55.05493	8.7
57.03427	30.9
57.07066	2.0
65.53454	1.4
67.05492	34.7
69.07063	4.7
69.67364	10.2
71.04980	3.9
79.05486	16.3
81.03422	3.7
81.07037	27.7
83.04971	7.5
83.08614	4.2
85.02896	2.9
85.06532	32.6
91.05467	14.0
93.07034	16.6
95.04958	37.0
95.08599	10.6
97.06538	3.5
97.10149	4.9
98.21466	3.0
105.07019	11.5
107.04932	5.2
107.08582	15.2
109.06503	39.6
109.10132	5.0
111.04426	10.8
111.08069	4.0
113.05984	100.0
117.07030	8.7
119.08552	12.8
121.06493	3.2
121.10107	5.7
123.08051	4.4
125.09554	2.3
129.06985	4.4
130.07666	1.7
131.08557	11.5
133.06519	2.0
133.10091	2.8
135.08025	29.8
135.11626	5.5
143.08554	5.1
145.10106	10.1
147.08064	4.9
149.09604	6.4
153.12692	4.2
157.10031	4.0
159.08043	2.3
159.11700	5.4
161.09610	6.7
163.11189	4.4
167.00732	1.9
175.11292	2.1
181.12219	2.7
191.10677	3.0
199.14709	1.9
213.12836	2.1
217.15884	13.4
227.12708	1.9
234.03648	3.5
242.24733	1.7
244.18925	2.0
255.17500	2.1
263.07550	18.5
264.07755	2.1
273.18414	22.6
281.08673	7.3
286.09253	12.9
287.09152	2.2
291.12473	2.4
291.19476	75.1
292.19830	5.2
309.10812	2.7
309.25684	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	309.2055
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
50.29447	1.4
53.03924	4.2
55.01858	13.6
55.05501	53.3
57.03431	8.4
57.07053	4.0
57.46709	1.3
59.04970	4.4
62.20628	1.5
65.03909	3.1
67.05494	49.5
69.03413	11.5
69.07061	23.2
69.57484	13.1
70.06583	7.5
71.04956	7.2
79.05479	49.7
81.03404	16.9
81.04513	6.9
81.07042	83.9
83.04959	15.0
83.06066	3.2
83.08608	28.3
84.04472	3.6
85.02876	2.9
85.06519	7.0
85.08501	1.5
87.04383	1.8
90.94825	1.6
91.05465	23.6
93.06467	2.8
93.07030	48.4
95.04949	34.3
95.08588	49.3
96.08916	2.0
97.02888	1.7
97.06516	9.2
97.10153	53.6
98.10487	2.1
99.04457	3.1
99.08061	4.7
105.07011	25.5
107.04938	9.1
107.08585	25.0
109.06532	9.9
109.10146	17.7
110.07155	2.9
110.88837	1.9
111.04421	11.7
111.08078	9.1
113.05997	4.1
117.07025	9.5
119.08563	21.1
121.06469	7.1
121.10136	20.1
123.04419	2.1
123.08051	90.3
123.11674	8.8
124.08473	1.9
125.05921	1.6
125.08736	2.8
125.09607	40.5
127.05021	2.0
127.07541	1.8
127.08623	2.2
129.07016	7.6
129.69037	1.5
130.04996	2.3
131.08560	10.2
133.06503	2.5
133.10127	11.8
135.08046	10.5
135.11652	10.7
136.06163	3.2
137.06601	1.9
137.09619	12.0
139.07428	1.9
139.11093	3.2
143.08549	4.1
143.10661	2.6
145.06444	2.1
145.10098	14.8
147.08038	9.6
147.11655	6.5
149.06050	2.0
149.09569	5.9
149.13219	2.8
151.11147	2.5
153.09067	3.8
153.12704	4.0
155.08417	1.5
157.10072	5.6
159.08047	1.9
159.11646	5.2
161.09586	6.1
163.11169	16.1
165.09059	11.5
169.10078	3.0
169.12256	8.2
171.11646	4.5
173.09587	2.3
175.11084	5.1
179.10599	1.6
181.12196	6.7
185.13159	3.6
187.11102	1.5
187.13313	11.6
189.09523	1.4
189.11183	41.0
189.12776	2.7
190.11536	2.5
191.10622	4.8
193.12224	11.2
199.14833	2.0
211.13245	4.7
213.12860	2.0
223.13190	9.0
227.12767	6.4
227.17984	3.4
231.17352	2.2
237.07561	4.3
237.16330	2.6
245.18951	4.4
255.17244	8.0
263.20279	3.2
269.08237	4.8
273.18460	52.0
274.18796	3.0
275.09131	2.0
279.06116	3.7
289.09015	2.4
291.12305	4.4
291.19489	100.0
292.19864	4.2
309.05899	8.5
309.10593	2.0
309.20645	41.3
310.21216	2.9
316.44580	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2054
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
53.03937	13.0
55.01858	8.6
55.05504	46.9
57.01447	1.7
57.03425	18.4
57.07058	3.9
59.04982	1.9
59.29935	1.7
62.28683	1.6
67.05492	43.8
69.03429	8.5
69.07058	16.7
70.27115	3.1
70.27514	4.1
71.04993	9.4
79.05479	83.3
80.05809	1.9
81.03400	17.5
81.04523	2.8
81.07045	57.2
83.04961	9.9
83.06054	1.7
83.08604	27.9
85.02908	1.9
85.06539	11.0
91.05468	28.8
93.07027	100.0
95.04948	25.2
95.08591	28.2
96.05298	1.7
97.06521	18.4
97.10151	31.6
99.08092	5.8
105.07014	24.6
107.04943	10.2
107.08585	19.6
109.06498	23.1
109.10147	8.8
111.04475	1.9
111.08063	5.4
113.05993	26.7
117.07008	9.9
119.08559	15.2
121.06459	8.8
121.10133	36.4
123.08054	27.4
123.11657	2.8
125.09606	32.1
127.05053	2.2
127.07541	2.8
128.06239	2.5
129.06970	5.4
129.10265	1.7
131.08540	15.5
133.06474	4.9
133.10094	10.8
135.08031	12.4
135.11679	7.0
137.05981	3.7
137.09538	4.3
141.06949	2.1
143.08539	5.3
145.06458	4.2
145.10124	9.6
147.07993	4.8
147.11668	6.7
149.09555	5.5
149.13220	5.5
151.11110	2.4
153.05457	2.0
153.09105	3.7
157.10162	3.0
159.08038	3.0
159.11684	6.9
161.05927	2.7
161.09575	6.2
161.13197	2.1
163.11180	4.9
165.05482	3.0
165.09064	4.5
165.12747	1.8
169.10065	2.7
171.10219	1.8
171.11713	3.1
173.13176	2.0
175.11147	4.7
177.12712	4.2
179.10666	2.4
187.11197	4.6
189.05415	2.5
189.11200	32.7
189.12852	2.4
190.11449	1.9
193.04929	23.5
195.13817	4.2
199.14743	2.3
201.12727	2.6
203.07002	7.7
205.12259	3.9
207.06532	2.4
215.06828	1.7
217.15857	7.0
219.06503	3.5
219.13745	3.6
221.15411	3.6
223.13300	18.4
227.17874	2.3
231.06570	2.6
237.07530	77.1
238.07899	5.3
255.17374	4.4
263.20358	2.9
273.11139	5.3
273.18469	31.5
291.12390	16.1
291.19510	57.8
292.19882	2.9
304.09235	1.7
309.13324	30.0
309.20523	35.4
310.13770	2.3
310.20770	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	309.2056
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
50.88642	1.3
51.02365	1.5
53.03936	5.1
55.01870	7.1
55.05504	27.9
57.03427	40.9
57.07061	9.3
59.04982	6.0
63.87342	1.4
65.03932	1.6
67.05492	41.4
69.03427	8.5
69.07057	43.3
69.34066	13.7
70.06585	6.4
70.07385	1.8
71.04980	12.6
71.08622	5.0
73.06573	1.9
79.05483	43.1
80.63592	1.6
81.03409	9.1
81.07045	100.0
82.07378	5.2
83.04976	8.8
83.08606	18.2
84.08116	3.3
85.02902	5.9
85.06540	19.2
88.05089	1.4
91.05470	31.9
92.05791	1.6
93.07030	47.1
93.07619	2.7
94.07360	1.8
95.04962	17.0
95.06087	1.6
95.08595	55.5
96.08904	2.1
97.02865	4.1
97.06512	15.2
97.10139	12.7
99.04484	2.0
99.08078	91.8
100.08428	2.9
100.11238	1.8
103.05444	1.7
105.07015	26.8
107.04945	11.3
107.08580	38.6
108.08915	2.5
109.06503	18.4
109.10136	34.7
110.07143	6.2
110.10416	1.7
111.08043	12.5
111.11698	4.9
112.08328	1.6
113.05984	9.6
113.09669	1.9
115.05447	2.9
117.07004	14.6
119.04953	3.1
119.08556	23.5
120.08932	2.0
121.06498	9.1
121.10130	24.2
123.08053	9.5
123.11684	21.2
124.12049	2.1
125.09626	9.3
127.03937	2.6
127.07543	35.7
128.06279	1.7
129.07001	8.2
131.08557	19.8
133.06488	3.9
133.10089	16.6
135.08023	11.0
135.11653	16.5
137.06058	1.8
137.09608	6.8
137.13225	6.0
139.11185	5.2
142.07732	1.7
143.08548	6.3
145.06473	7.0
145.10072	12.3
146.10474	1.6
147.04367	13.7
147.08012	9.8
147.11696	8.8
149.09605	9.0
149.12209	2.1
149.13228	11.3
151.11169	4.5
151.14777	2.6
153.09117	1.7
153.12740	4.4
153.87746	1.4
155.08563	2.3
157.10121	6.1
159.11659	7.7
161.05992	1.8
161.09593	6.3
161.13213	4.4
163.11179	6.2
163.14824	3.8
165.09064	4.0
165.12767	4.2
167.14442	1.9
169.10052	1.8
171.07986	2.1
171.11667	4.8
173.05951	7.8
173.09544	2.1
173.13249	6.6
175.07591	2.2
175.11151	4.0
175.14807	2.9
177.12764	1.7
177.16373	3.9
179.10712	3.4
179.14285	1.6
183.11662	3.1
185.13248	2.8
187.11179	1.7
189.05414	3.8
189.11189	3.9
189.12712	2.4
189.16389	2.8
191.07089	2.3
191.14227	2.7
199.11201	2.1
199.14821	4.0
201.05449	14.2
201.12726	6.4
203.07005	2.4
203.10753	1.9
203.14180	2.7
203.17726	2.5
205.12318	2.4
207.06503	2.0
207.13751	2.6
215.06871	1.9
217.08534	2.0
217.15826	11.9
217.19502	1.9
218.97986	2.0
219.06555	8.3
219.13884	7.3
219.18607	2.8
221.08060	3.4
221.15315	5.0
223.13237	4.3
227.07069	3.2
227.17851	2.3
231.13808	3.0
233.15419	2.6
235.16934	4.9
237.14749	2.8
245.08110	6.5
245.18994	6.4
245.22974	2.6
247.23540	3.2
249.14864	3.7
251.16437	2.2
255.17430	6.9
263.09161	5.6
263.20059	5.7
264.20685	2.9
273.11035	1.6
273.18433	35.8
273.21204	2.9
273.25674	4.2
274.18762	2.4
281.99783	1.7
291.08633	6.9
291.12372	4.7
291.19495	73.3
291.26593	9.9
292.19888	5.3
309.09650	26.4
309.13235	3.2
309.17236	1.5
309.20605	35.5
309.27359	29.5
310.10004	2.0
310.21289	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	309.1328
Annotation	11beta-Hydroxycurvularin
Peak:m/z	Relative Intensity
53.03923	0.9
55.01859	1.8
55.05504	3.3
57.03406	1.2
57.57179	0.5
59.04992	2.8
65.03937	0.7
67.05492	8.9
69.03419	7.3
69.07056	3.9
70.06561	1.6
70.61418	1.9
71.04983	7.5
75.04440	0.8
79.05481	4.6
81.03411	3.7
81.07041	9.3
83.04952	1.7
83.06123	0.7
83.08606	1.2
84.08126	1.6
85.02869	2.1
85.06524	8.2
86.09688	1.6
91.05459	7.4
93.04514	1.1
93.07043	5.0
95.04935	2.1
95.06072	1.6
95.08579	2.9
97.02836	0.9
97.06497	1.4
99.04428	0.7
103.05431	1.0
105.03391	0.8
105.06998	7.2
105.18172	0.6
107.04934	2.0
107.08572	5.5
109.02853	3.6
109.06507	1.4
109.10139	9.9
110.07140	5.8
111.04411	0.8
115.05430	1.7
117.07009	2.7
119.04914	1.1
119.08552	2.9
121.06454	1.6
121.10083	0.8
123.04379	1.0
123.08046	1.1
123.11653	1.3
125.05973	0.8
125.09644	1.3
127.03867	1.3
128.06204	1.0
129.07002	3.6
129.12720	0.9
131.04903	0.7
131.08522	1.8
133.06448	1.3
133.10098	8.3
135.08015	2.5
135.11682	0.6
137.05930	2.1
137.09589	4.4
141.07018	0.6
143.08539	1.1
145.02783	0.8
145.06422	3.3
145.10104	1.0
146.07242	0.8
147.04404	3.1
147.08006	3.1
149.05957	7.2
151.07521	1.4
151.11162	7.1
157.10048	0.8
158.07248	1.4
159.07996	3.2
160.08690	0.6
161.05949	4.5
161.09589	1.3
163.07481	2.4
163.11093	1.0
165.05435	0.8
165.09059	3.0
167.08475	0.7
169.12201	8.6
171.04486	0.6
171.07919	1.2
171.11636	0.7
172.08795	1.6
173.05983	3.6
173.09575	2.3
175.07489	3.6
177.05446	23.4
177.09094	1.0
178.05725	0.8
179.07065	1.0
183.08101	0.6
185.09514	1.4
186.10361	1.2
187.07497	6.3
188.06923	0.9
189.05446	4.1
189.09096	1.5
189.12769	0.8
191.07005	6.3
193.04936	9.5
193.08511	0.8
199.07463	1.6
199.11116	1.4
201.09236	1.7
201.12688	0.7
202.09840	2.2
203.07002	19.1
203.10582	2.0
205.05019	0.7
205.08601	3.9
207.06502	1.4
212.08217	1.3
213.09088	1.3
213.11856	0.6
214.09915	3.4
215.07027	9.0
217.04909	2.4
217.12227	8.8
219.04337	1.4
219.06471	22.1
219.18578	1.6
220.06790	0.8
221.08029	5.5
227.10648	6.1
229.12215	2.0
230.09351	2.5
231.06482	12.7
231.10143	2.3
233.08070	13.4
234.08575	0.7
235.05954	7.8
235.13168	0.9
237.07542	33.3
238.07921	0.8
245.11708	27.8
246.12134	1.3
247.13228	1.4
249.07497	9.9
255.10179	1.5
263.12729	21.1
264.13019	1.0
264.20578	2.8
273.11197	10.7
273.18527	0.8
274.11511	0.7
281.11548	0.7
291.12219	100.0
291.19315	2.5
292.12503	6.7
309.13440	25.3
309.16849	1.3
309.20258	3.0
310.13562	1.7
310.21176	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	309.1328
Annotation	11beta-Hydroxycurvularin
Peak:m/z	Relative Intensity
53.03941	0.5
55.01849	1.0
55.05503	6.7
57.03429	3.2
57.07068	3.2
59.04995	9.0
64.47794	0.6
67.05495	6.6
68.25991	0.6
69.03410	5.5
69.07059	16.0
71.04965	1.5
71.08598	1.3
73.06554	0.7
75.04472	3.0
79.05489	3.7
81.03387	0.8
81.07050	20.5
83.04961	0.8
83.08141	0.6
83.08612	8.3
84.08141	0.8
85.02832	0.6
85.06516	2.6
86.09689	0.8
90.29347	0.7
91.05470	4.1
93.07022	7.2
95.04947	1.7
95.08598	14.9
97.01085	0.6
97.06493	1.7
97.10146	2.1
99.08043	1.5
105.07025	4.8
107.04908	0.8
107.08588	7.5
109.10147	6.9
110.07196	0.7
111.04400	0.9
111.08082	5.2
111.11653	1.4
115.05410	2.5
117.07005	5.7
117.09100	2.2
119.04942	0.7
119.08531	2.9
120.73852	0.5
121.06458	1.0
121.10143	4.5
123.04412	0.6
123.08071	1.1
123.11690	8.1
125.09586	0.8
128.06212	0.9
129.06970	2.4
131.08548	1.1
133.10089	2.3
135.07942	0.9
135.11693	3.2
135.96661	0.6
137.09668	0.7
137.13219	2.7
139.11143	1.3
143.08569	1.1
145.06470	7.6
145.10077	0.9
147.04362	1.5
147.08003	1.9
147.10597	0.5
147.11655	2.3
148.05173	0.6
149.05913	1.7
149.09529	0.7
149.13254	2.9
152.06155	0.8
153.07007	0.9
153.12675	1.3
155.08527	0.7
157.06384	0.8
159.08049	3.2
161.05974	6.9
161.09576	1.5
161.13171	0.7
163.07527	1.8
163.14803	2.1
165.12708	1.6
167.08496	0.8
167.14336	1.1
169.10129	0.9
171.08038	1.8
173.05968	13.4
173.09619	0.7
174.06538	0.7
175.07523	11.1
175.11169	0.6
175.14949	0.6
177.05417	2.8
177.09053	1.1
177.16348	0.9
182.15414	0.9
184.08784	1.1
185.09592	0.8
186.06631	0.8
187.07516	2.9
188.08281	0.8
189.09093	6.6
189.16373	0.7
191.07028	9.5
193.05029	1.0
195.08028	1.1
196.08791	0.9
197.05989	1.1
197.09573	1.1
199.07507	1.9
199.11111	1.6
201.05377	0.6
201.09117	1.6
202.09924	0.7
203.07010	32.8
203.10663	1.7
204.07303	1.1
205.08594	1.0
212.08321	3.8
213.09105	2.8
214.06491	0.7
214.09914	1.9
215.07091	1.4
215.10628	1.6
217.08585	6.8
217.12144	1.0
219.18591	1.1
221.08067	100.0
222.08339	4.6
223.07491	0.9
227.06947	1.1
227.10631	10.7
228.10764	0.7
229.08568	2.4
229.12238	2.0
229.22636	0.7
231.10022	2.9
233.08072	6.9
234.08255	0.9
235.09641	7.5
237.07549	2.1
240.07822	1.6
242.09579	0.9
243.10187	7.4
245.11710	7.0
249.11189	2.4
251.09161	4.6
255.07466	1.2
255.10143	23.6
256.10382	1.6
261.11188	6.1
263.06964	0.7
263.12766	2.2
273.11182	53.4
273.25787	1.7
274.11514	3.3
278.09271	1.4
279.12314	0.9
291.12225	48.6
291.26758	3.8
292.12659	2.4
294.08655	1.2
309.13284	70.9
309.27856	5.4
310.13666	4.0
310.21347	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1327
Annotation	11beta-Hydroxycurvularin
Peak:m/z	Relative Intensity
55.01786	1.2
57.03318	2.9
57.03617	1.7
57.29315	0.6
57.99492	0.6
59.04899	1.7
59.05150	0.8
64.58118	0.7
67.05401	1.2
67.37385	0.7
71.04911	0.7
79.05395	1.4
81.03284	0.7
81.06965	1.6
83.76761	0.6
85.06410	0.7
89.67783	0.7
91.05330	2.8
93.06905	2.1
95.04880	0.8
95.08495	1.1
103.05364	0.9
105.06872	3.8
105.07520	1.4
107.04820	1.5
109.06400	1.1
110.07018	1.3
112.00486	0.7
115.05325	2.2
117.06862	3.2
119.04794	1.6
121.06398	1.3
123.92431	0.7
129.06854	1.9
131.08435	1.0
133.06325	2.5
135.07910	1.4
135.13579	0.7
137.05855	1.9
143.04857	0.8
145.06317	3.2
147.04266	1.4
147.06076	0.7
147.07899	2.1
149.05846	1.5
152.70888	0.7
159.07932	1.8
161.05946	5.7
163.03664	0.7
163.07399	1.8
165.05328	2.5
171.04326	2.0
173.05901	1.2
175.07504	4.9
177.05415	5.1
177.08861	0.9
185.05852	2.1
187.07536	1.4
188.04642	3.4
189.05431	16.7
191.06870	2.9
193.04922	13.0
199.07362	1.1
201.05402	1.1
201.08983	0.9
202.09821	0.8
203.06993	35.0
204.07430	1.2
205.04845	0.8
205.08455	2.7
212.08189	0.8
213.08972	1.1
214.09921	0.9
217.08461	1.5
219.04422	0.9
219.06482	18.8
221.08009	5.5
227.10542	1.4
229.12251	1.0
231.06477	61.9
232.06847	4.1
233.07971	3.0
237.07533	63.1
238.07838	2.4
241.08470	1.4
243.06464	6.8
245.11667	7.6
247.09526	3.0
249.07533	24.2
250.07782	1.6
251.08890	1.2
258.08865	4.1
263.12567	0.9
264.20386	0.8
273.11163	50.1
274.11478	3.6
291.12210	100.0
292.12521	5.6
309.07690	2.4
309.13300	37.2
310.13638	2.8
310.21252	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	309.133
Annotation	11beta-Hydroxycurvularin
Peak:m/z	Relative Intensity
53.03928	0.8
55.01863	1.1
55.05486	2.3
57.03419	2.5
57.07063	0.7
59.05003	3.6
67.05497	9.1
69.03422	7.6
69.07059	4.3
69.69894	4.5
69.75911	0.7
70.06587	1.2
70.92559	0.5
71.04637	0.7
71.04984	8.2
72.93803	0.6
75.04459	1.0
79.05483	5.4
81.03410	4.8
81.07049	9.5
83.04945	1.9
83.06118	1.0
83.08574	1.0
84.04488	0.7
84.08131	1.3
85.02887	2.2
85.06532	7.0
86.09682	1.0
91.05476	8.4
93.04476	0.9
93.07024	4.4
95.04950	3.6
95.06069	2.7
95.08566	3.6
97.02927	0.8
97.06498	1.5
99.04441	1.0
103.03947	0.6
105.07009	5.5
107.04940	1.8
107.08581	3.8
109.02883	3.6
109.06483	2.6
109.10147	10.6
110.03634	0.8
110.07159	8.6
111.04401	1.1
111.08044	0.9
111.11681	0.8
115.05451	1.2
117.07001	2.5
119.04906	2.5
119.08550	1.7
121.06476	2.2
121.10125	1.7
122.07031	0.6
123.04406	0.7
123.08035	0.7
123.11662	1.3
125.09657	0.7
127.03889	1.0
129.06990	3.9
129.12737	0.9
131.04877	1.1
131.08571	2.5
133.00456	0.6
133.06441	2.3
133.10107	9.0
135.08028	2.8
136.07442	0.8
137.04938	0.6
137.05965	2.1
137.09605	4.4
139.11156	0.9
143.08572	1.4
145.06490	4.4
145.10089	1.2
147.04402	8.1
147.08026	3.4
147.11684	1.3
148.04773	0.6
149.05954	8.8
149.09636	1.0
150.70567	0.6
151.07541	1.0
151.11160	5.6
155.06931	0.6
157.06416	0.7
159.08037	3.4
159.11662	0.8
161.05943	3.6
161.09657	0.7
162.06731	0.9
163.03987	0.8
163.07521	2.4
165.05460	2.3
165.09088	4.6
169.10098	0.8
169.12231	7.4
171.04387	1.4
171.08086	1.0
173.05966	3.5
173.09558	1.6
173.13237	0.8
175.07523	3.6
175.11108	1.3
177.05458	20.9
177.09111	1.0
178.05806	1.2
179.06981	1.0
182.15353	0.6
183.08176	0.8
184.08687	0.7
185.09572	1.0
186.10478	0.9
187.07477	6.4
189.05446	3.7
189.09105	1.7
189.12703	0.9
191.07042	5.3
193.04945	11.0
193.08575	0.7
199.11223	1.1
201.09140	1.8
201.12737	0.8
202.09860	2.8
203.07024	19.0
203.10632	2.1
205.08531	3.3
207.06465	0.9
212.08267	1.8
214.09770	3.5
215.07022	9.2
217.04906	2.4
217.12195	9.7
219.06487	23.5
219.18547	4.2
220.06898	1.7
221.08070	5.2
227.10663	4.5
229.12216	2.8
230.09375	2.0
231.06488	10.6
231.10141	2.6
232.06642	0.8
233.08054	12.6
235.05925	8.5
235.13286	1.1
237.07544	29.9
238.07787	1.0
245.11720	27.4
246.12144	1.4
246.19688	0.9
247.09531	0.7
247.13197	1.5
249.07541	10.2
249.11382	1.1
250.07883	0.8
255.10150	1.3
263.12744	21.7
264.13171	1.2
264.20673	3.6
273.11212	11.3
273.18539	0.8
277.08701	0.9
281.11761	0.8
291.12241	100.0
291.19327	2.7
292.12622	7.2
309.07852	1.3
309.13422	26.7
309.20621	1.1
310.13602	1.9
310.21210	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	309.1325
Annotation	11beta-Hydroxycurvularin
Peak:m/z	Relative Intensity
51.33565	0.6
55.05479	1.3
57.03404	2.0
65.15036	0.5
67.05493	3.6
69.03395	1.5
69.07037	0.9
69.52164	1.2
69.52575	3.4
70.06553	1.2
71.04968	2.8
71.56537	0.5
74.88836	0.5
79.04120	0.6
79.05464	2.8
81.03389	1.1
81.04495	1.2
81.07004	2.4
83.04944	1.0
84.08102	0.8
85.06521	0.7
91.05421	1.8
93.07040	3.3
95.04922	1.5
95.08595	2.8
97.10156	0.9
100.61854	0.5
103.05443	0.7
105.06988	3.0
107.04918	0.6
107.08558	1.3
109.06466	1.9
109.10107	0.9
110.07112	0.9
113.05972	1.3
115.05412	0.7
117.06994	2.0
118.12872	0.7
119.04905	0.6
119.08553	0.7
120.18372	0.7
121.06445	1.0
121.10072	0.9
133.06451	1.5
133.10123	0.7
135.08031	1.0
135.11591	0.7
136.06148	1.2
137.05905	1.4
143.08511	0.7
145.02785	0.7
145.06424	1.2
145.10083	0.7
159.09248	0.5
161.05931	1.8
163.07518	0.9
165.05417	3.0
171.04370	2.6
173.05942	1.1
175.07478	1.9
177.05417	0.9
189.05437	17.9
189.11137	1.0
190.05716	1.3
191.07011	1.0
193.03218	1.2
193.04921	15.9
193.06685	0.8
193.08614	1.0
194.05243	1.0
201.09203	1.0
203.07002	8.6
207.06509	2.0
213.09058	0.8
217.12248	0.8
219.06477	18.5
220.06812	1.0
221.08060	6.8
225.07524	0.9
231.06496	5.3
237.07532	100.0
238.07933	5.7
241.26100	0.8
243.06429	0.9
245.11678	3.0
247.09641	1.6
249.07507	2.3
249.11122	1.0
255.10121	1.1
273.11185	17.1
273.18549	0.9
274.11499	0.9
291.12222	38.1
291.19427	2.0
292.12531	2.3
306.43484	0.7
309.13278	51.3
309.20816	3.5
309.27249	1.0
310.13751	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	308.2579
Annotation	FTY720
Peak:m/z	Relative Intensity
55.01858	0.2
55.05494	0.5
57.03413	0.3
57.07069	0.3
64.64671	0.1
66.84158	0.2
67.05171	0.2
67.05497	2.0
69.03415	0.2
69.07049	0.4
69.64320	0.3
69.64731	1.1
69.89072	0.2
70.06569	0.2
71.04984	1.5
72.04513	1.2
79.05476	0.7
80.05019	0.2
81.03415	0.2
81.07032	1.1
82.04172	0.3
82.06557	0.7
83.04964	0.5
85.06482	0.2
93.07035	0.8
94.06549	2.4
95.04974	0.2
95.08589	0.7
96.04459	0.2
96.08092	0.5
98.06034	0.4
98.21469	0.2
99.48497	0.2
103.77364	0.1
107.08559	0.3
108.08099	0.7
109.10125	0.2
110.06023	0.7
110.09623	0.2
112.07564	0.3
117.08944	0.2
119.08543	0.2
121.10149	0.2
122.06001	0.5
123.06779	0.4
124.07560	2.0
125.38406	0.2
126.05470	0.9
126.09103	0.2
128.07054	0.4
132.04794	0.2
136.07571	1.3
138.09132	1.1
152.07065	1.3
153.07834	0.9
154.08606	20.9
155.08919	0.4
168.10098	0.2
182.11911	0.2
227.93770	0.2
246.22218	0.2
285.07794	0.4
290.24655	0.4
302.10077	0.2
308.25781	100.0
309.26138	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	308.1521
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	1.6
55.05506	3.5
57.03425	3.9
57.07074	2.5
58.99578	3.0
60.55390	1.0
66.16126	1.2
67.05498	28.8
69.03413	2.1
69.07065	7.4
70.06587	3.0
70.21787	4.1
71.04986	70.7
72.08157	2.2
76.02212	6.5
79.05485	7.3
81.07044	27.0
83.04974	4.4
84.08118	8.9
85.06538	75.7
86.09713	3.3
86.99038	4.0
88.03994	1.4
91.04950	2.1
91.05475	24.5
93.07032	9.1
95.08585	3.8
97.06537	2.4
98.20882	1.3
99.04469	1.2
99.08041	1.4
105.00082	4.0
105.07020	20.0
105.07668	1.7
107.08588	19.2
109.06512	4.5
109.10147	33.7
113.06029	1.3
113.98676	1.1
121.10147	2.1
122.02721	9.2
123.08068	1.5
123.11707	6.5
125.09595	2.6
127.12307	1.7
131.08540	2.1
133.10115	54.6
134.10469	2.6
139.11160	4.3
147.04385	6.4
150.49318	1.4
151.11165	52.1
157.12195	2.5
169.12225	100.0
170.12578	5.8
187.13260	14.3
201.09459	2.1
219.10411	2.8
244.13716	1.7
245.12109	4.5
273.11435	2.9
290.14151	2.7
291.12546	46.2
292.12912	3.3
307.99783	1.5
308.15283	36.5
308.18561	4.7
309.15558	2.8
309.55035	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.1519
Annotation	Tebuconazole
Peak:m/z	Relative Intensity
53.03936	0.4
55.05503	1.5
57.03432	1.1
57.07067	1.7
59.04991	1.5
67.05495	3.2
68.05838	0.8
69.07058	1.5
70.04066	100.0
71.04409	0.7
71.04983	0.4
71.06472	0.6
71.08630	0.4
79.05479	2.4
81.07038	3.1
82.07378	0.8
83.08612	0.9
84.08118	0.4
91.05466	1.2
92.05793	0.4
93.07024	2.1
94.07349	0.6
95.08575	2.4
96.08920	0.6
97.10165	0.8
105.07033	0.8
107.08594	0.7
108.08940	0.7
109.10154	1.0
115.05418	0.5
116.06252	0.5
119.08607	0.6
121.10139	0.9
125.01527	6.7
125.09621	0.4
129.05484	0.5
131.08592	0.7
134.10535	0.3
137.05948	0.4
139.03087	0.5
139.49878	0.4
145.10114	0.5
146.78917	0.4
151.03093	2.9
165.04803	0.5
216.18250	1.0
219.82213	0.4
257.94769	0.3
278.96237	0.3
291.19409	2.6
308.15192	47.9
308.22803	6.1
308.25784	0.8
308.29407	1.9
309.15530	3.0
309.24155	1.0
310.50208	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2628
Annotation	9-Hydroxygeranyllinalol
Peak:m/z	Relative Intensity
53.03930	2.3
55.01851	3.1
55.05507	17.6
57.03419	1.9
57.07064	8.3
59.04994	2.9
67.05497	21.7
67.77361	1.0
69.03423	6.4
69.07060	53.4
69.46682	10.2
70.06559	3.4
71.04984	5.5
71.08628	1.8
73.02905	1.0
79.05483	17.9
81.03398	4.3
81.07048	100.0
82.07382	1.6
83.04965	2.6
83.08615	13.0
84.04482	1.7
84.08099	2.8
85.02893	8.6
85.06525	4.7
86.09686	1.6
91.05466	12.9
93.07034	55.5
94.07355	1.3
95.04955	10.0
95.08598	47.4
97.02902	2.8
97.06528	10.8
97.10167	6.5
98.20763	2.3
99.04433	4.9
99.08070	1.7
101.05980	1.2
103.03921	5.9
105.07008	20.3
107.08583	44.2
109.02866	2.6
109.06499	10.9
109.10139	35.2
111.08069	21.3
111.11706	9.1
113.05994	1.2
113.09616	1.0
117.06984	1.3
119.08581	11.0
121.06485	2.6
121.10129	24.2
123.08051	4.5
123.11698	32.3
125.05968	1.3
125.09612	3.3
127.03890	9.5
131.08551	4.0
133.10127	20.7
135.08015	1.3
135.11667	9.6
137.09615	1.8
137.13264	8.9
139.11169	16.2
145.04961	2.7
145.10071	5.5
147.11658	11.5
149.13219	10.5
151.11166	34.6
151.14778	1.9
153.12766	5.7
154.07860	1.1
159.11642	4.4
161.13240	4.9
163.11195	3.5
163.14806	4.8
164.12016	1.0
165.12741	12.4
167.14317	2.5
169.12166	5.6
173.13196	2.7
175.14738	2.7
177.12723	1.4
177.16347	4.4
179.14243	1.4
181.15831	1.6
187.06004	2.0
187.14822	2.9
189.16319	3.0
191.17920	2.8
193.15894	1.2
195.13792	1.3
201.12296	1.2
201.16356	2.1
203.17952	2.3
205.04807	1.2
205.06976	1.1
207.17516	1.7
215.17992	2.9
221.18816	1.5
235.06081	1.8
245.22897	5.8
271.24197	7.0
277.25360	2.6
285.09894	1.3
289.17993	2.6
289.25235	20.8
307.19049	2.6
307.26331	70.4
308.26508	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	307.2624
Annotation	9-Hydroxygeranyllinalol
Peak:m/z	Relative Intensity
53.03938	1.3
55.01865	2.4
55.05502	11.9
57.03419	0.9
57.07061	5.2
59.04989	2.1
65.03939	1.1
67.05491	18.1
69.03408	4.5
69.07055	43.8
70.06551	1.1
70.13387	1.1
70.13787	2.0
71.04977	4.6
71.08617	2.5
73.02908	1.4
76.02186	0.6
79.05044	1.1
79.05480	12.4
81.03409	1.4
81.07041	100.0
82.07387	0.8
83.04977	2.5
83.08607	8.5
84.04505	0.8
84.08144	1.7
85.02890	2.4
85.06529	4.7
91.05464	9.1
93.07029	40.3
93.54476	0.6
95.04935	4.7
95.08591	34.4
97.02880	1.0
97.06518	11.7
97.10149	3.3
99.04421	1.3
99.08049	1.7
101.06010	2.0
103.03931	2.3
105.07012	13.5
107.08575	35.5
108.08861	0.7
109.02815	0.8
109.06501	7.2
109.10136	32.2
111.08060	29.3
111.11695	7.5
119.08565	5.7
121.06471	1.2
121.10129	14.6
123.08042	2.6
123.11687	25.4
125.06004	0.8
125.09609	2.1
127.03915	2.5
127.07568	0.9
131.08563	2.3
133.10110	15.0
135.08055	1.0
135.11664	12.1
137.09583	0.8
137.13220	10.6
137.14221	1.0
139.11153	9.7
143.08463	0.7
145.10104	2.6
147.11650	6.3
149.13239	5.4
151.07617	0.8
151.11156	37.9
151.14796	1.2
152.11591	0.9
153.12714	14.1
153.34686	0.7
155.14317	0.9
159.11665	2.8
161.13220	3.4
163.11169	2.3
163.14818	3.0
165.12700	5.3
167.14331	0.8
169.12198	6.8
173.13287	1.6
175.14825	2.3
176.53049	0.6
177.12494	0.8
177.16327	2.5
181.12169	1.7
185.09567	0.7
187.14807	0.9
189.16318	1.6
191.17934	1.8
193.15884	0.9
201.16425	1.4
203.18065	1.0
205.06775	0.9
207.17447	1.1
215.17958	1.8
245.22652	1.8
270.38748	0.7
271.24173	3.0
277.25269	2.3
289.25204	12.9
307.26257	44.7
308.26575	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2627
Annotation	Trixagodiol C
Peak:m/z	Relative Intensity
51.02362	1.0
53.03935	1.0
55.01868	2.1
55.05502	11.0
57.07064	6.3
67.05497	17.9
69.03404	3.3
69.07058	38.3
70.06571	3.5
70.06930	1.0
70.87373	3.0
71.04987	2.8
71.08611	1.6
79.05492	13.3
81.03424	1.7
81.07048	100.0
83.04982	2.3
83.08620	5.4
84.04482	1.3
84.08138	2.1
85.06512	4.2
86.09686	1.2
91.05469	10.8
93.07030	45.6
95.04971	6.1
95.08597	35.2
97.06525	10.5
97.10160	4.7
99.08086	2.7
105.07023	13.0
107.07849	1.9
107.08585	38.3
109.06506	9.2
109.10141	29.0
110.10498	1.0
111.08067	28.3
111.11687	6.5
119.08584	5.2
121.06535	1.1
121.10126	14.9
123.08031	2.7
123.11697	27.3
125.09621	1.8
125.13210	1.7
127.11153	1.4
130.04979	0.9
131.08548	2.4
132.10193	1.4
133.10109	21.8
135.11676	8.2
137.13225	8.5
137.70641	0.9
139.11168	13.9
141.12689	1.2
141.74245	1.0
145.10172	1.9
147.11649	6.1
149.09596	1.2
149.13228	8.3
151.11166	42.0
151.14848	1.0
152.11484	1.6
153.12717	3.8
159.11667	3.0
161.13234	3.4
163.14807	3.8
165.12750	7.1
169.12244	5.5
173.13130	1.2
175.14818	3.2
177.16351	3.8
184.37947	0.9
187.14862	1.4
189.16423	2.4
191.17958	1.6
201.20415	2.2
203.17906	1.7
207.17319	1.4
215.17888	1.9
221.08044	1.5
245.19374	1.0
245.23007	8.8
247.23987	0.9
271.24091	4.8
277.25296	3.7
289.17996	1.4
289.25244	18.9
289.33939	1.0
307.26398	75.3
308.26761	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2262
Annotation	Litseakolide B
Peak:m/z	Relative Intensity
55.05507	16.9
57.03434	15.6
60.79850	1.9
65.03937	2.4
67.05495	56.4
69.07066	9.8
70.75908	4.1
70.76286	3.9
79.05482	35.5
81.07044	47.4
83.08622	5.0
91.05451	16.4
93.07030	39.9
95.04938	5.0
95.08036	3.2
95.08597	39.1
105.07005	9.1
107.08569	14.4
109.10135	14.7
117.06978	4.3
119.08543	5.8
121.10120	18.6
123.08047	2.5
123.11684	5.7
130.09627	2.0
131.08528	5.8
133.10110	8.4
135.11678	12.3
145.10094	6.4
147.11688	4.1
149.13261	5.0
159.11761	2.9
162.86359	1.9
173.13205	3.6
215.17973	7.0
244.58450	1.9
307.22644	100.0
307.28091	4.8
308.08932	2.1
308.23187	4.0
311.29736	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2262
Annotation	Methyl haplodesertoate
Peak:m/z	Relative Intensity
53.03921	1.6
55.01852	2.2
55.05501	11.4
57.03418	0.7
57.07055	1.2
59.04980	2.1
65.03902	0.7
67.05495	13.8
69.03420	0.7
69.07062	7.2
70.04077	0.7
70.06563	0.6
70.22612	1.4
70.23007	1.1
71.04979	6.8
73.06538	1.6
74.46062	0.6
77.18987	0.6
79.05481	15.1
80.05778	0.6
81.03407	0.7
81.07045	18.8
83.04944	1.7
83.08592	4.2
84.04478	0.7
84.08133	3.6
85.06556	2.7
87.04363	0.6
87.08080	0.7
91.05464	23.9
92.05775	0.6
92.41477	0.5
93.07027	17.5
94.04148	1.2
94.07379	0.6
95.04964	4.8
95.08584	12.9
97.06501	7.2
97.10146	2.4
99.08067	1.8
103.05430	0.8
105.07014	26.4
107.08576	11.8
107.10137	0.5
108.08875	0.6
109.06502	12.7
109.09448	0.7
109.10140	8.0
110.07251	1.7
111.05558	0.7
111.08040	2.6
115.05450	0.8
117.06986	7.8
119.08562	23.4
121.02866	3.0
121.06506	4.4
121.10127	7.6
122.07253	0.6
123.08042	7.8
123.11684	1.9
125.06033	0.6
125.09570	1.7
127.03983	0.6
127.12236	0.9
128.06210	1.7
129.06992	2.0
130.07793	0.6
131.08546	9.8
132.18517	0.5
133.06454	0.7
133.10112	17.1
134.10437	0.7
135.08018	5.4
135.11658	4.0
136.08784	0.8
137.09586	7.3
139.11180	1.6
141.06947	1.3
142.07744	1.2
143.08513	4.3
145.06445	1.1
145.10095	9.6
147.08009	0.7
147.11659	11.6
149.09599	4.3
149.13237	1.8
151.11157	12.6
153.09137	0.6
155.08516	1.8
157.10109	2.3
159.07988	1.8
159.11662	5.0
161.09595	1.0
161.13257	3.5
163.07567	0.6
163.11137	8.1
163.14774	1.0
165.01303	0.6
165.12715	7.0
166.13026	0.6
168.09360	1.2
169.10013	1.9
171.11713	3.0
173.13200	4.5
175.11206	1.3
175.14731	1.0
177.12749	3.5
179.14270	2.5
183.11658	4.5
185.13196	0.6
187.11174	1.5
187.14780	1.9
189.09164	0.7
189.12527	1.2
191.03345	0.6
191.14243	1.4
197.13205	2.0
201.12743	3.7
211.11145	1.2
213.05376	1.2
215.14362	1.2
215.17883	0.7
219.13777	0.6
229.12198	3.8
229.19435	3.4
233.15265	0.9
237.14932	0.6
239.17984	5.5
247.13295	1.8
247.20555	3.0
249.18382	1.0
251.16435	0.9
257.18979	8.6
258.19193	0.9
265.17984	0.9
275.20016	38.8
276.20477	3.0
284.09421	1.7
289.18182	0.9
289.21616	1.0
307.09506	1.8
307.22617	100.0
308.23019	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2263
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	13.0
53.07618	3.5
55.01861	14.6
55.05254	4.1
55.05503	55.3
57.03434	6.9
59.24192	2.8
66.45407	2.7
67.05494	53.7
69.03423	5.8
69.07052	28.0
70.02201	16.7
71.04993	4.9
79.05482	100.0
81.03403	18.6
81.07043	74.4
83.04967	27.8
83.08602	21.9
85.06519	4.8
90.86097	2.6
91.05460	47.4
93.07029	68.1
95.01318	3.4
95.04958	13.0
95.08585	24.8
97.06523	28.5
97.10162	44.0
98.75739	2.9
105.06362	5.6
105.07010	52.8
107.04952	37.7
107.08576	72.8
108.86145	2.9
109.06509	8.3
109.10132	23.8
111.08089	5.8
115.09340	3.0
117.07030	14.3
119.08573	34.3
121.06459	7.8
121.10131	19.1
123.08073	7.1
123.11697	7.4
125.09608	59.2
131.08551	18.2
133.10112	39.5
135.08006	21.3
135.11678	14.3
145.10118	18.5
147.11665	14.0
149.09608	65.3
149.13206	7.6
151.11127	3.2
153.09068	15.8
157.12146	3.7
159.11673	14.0
161.13223	8.0
163.11174	7.3
169.12201	3.4
171.10104	3.7
171.11650	4.9
173.13280	4.8
177.12657	5.8
179.14265	7.3
187.11220	5.0
187.13287	6.4
203.12761	55.1
209.15337	11.5
219.17380	7.9
229.19447	6.4
247.20697	6.5
257.18979	17.7
275.20016	97.3
276.20367	8.8
306.90338	3.2
307.22723	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	307.2262
Annotation	Methyl haplodesertoate
Peak:m/z	Relative Intensity
53.03929	0.9
55.01859	2.6
55.05503	10.0
57.03432	2.4
57.07073	5.5
67.05167	0.8
67.05495	12.3
69.03400	1.7
69.07059	9.8
69.78841	1.1
69.79259	2.0
70.07375	0.9
71.04969	1.9
71.08266	0.7
71.08618	7.2
79.05477	9.2
81.03392	0.6
81.07043	16.5
82.07380	0.7
83.04951	1.7
83.08619	3.3
85.06511	3.1
90.85365	0.4
91.04967	0.5
91.05466	6.6
93.07029	13.1
94.07326	0.6
95.04954	14.8
95.08591	11.8
97.06519	3.9
97.10159	3.5
98.06024	1.4
99.08080	4.7
105.07013	10.0
107.04910	1.4
107.08582	10.7
108.05705	0.7
109.06499	36.7
109.10153	4.1
110.06818	0.5
111.08049	1.2
113.09595	0.6
117.06979	1.6
119.08564	8.3
121.06470	6.7
121.10127	5.4
123.08017	3.8
123.11665	1.3
125.09620	1.0
129.06940	0.8
131.08553	5.4
133.10124	4.3
135.08015	3.9
135.11659	2.1
137.05919	1.2
137.09581	1.6
138.06252	0.6
139.11153	1.2
141.09044	0.7
143.08495	0.9
145.10103	4.8
147.08046	0.7
147.11681	3.9
149.09576	2.6
149.13229	1.6
151.11159	1.4
153.12718	0.5
157.10103	1.0
159.11644	2.9
161.09528	0.8
161.13210	2.8
163.11148	3.5
163.14793	1.1
165.12726	83.5
166.13112	2.6
171.11673	0.8
173.09584	0.5
173.13232	3.2
175.11119	1.0
175.14777	1.0
177.12721	4.4
179.14247	2.2
181.15894	0.7
183.11676	0.8
185.13219	1.1
187.14807	1.0
189.12747	0.6
189.16380	0.7
191.14259	4.0
193.12291	0.7
197.13173	0.7
201.12622	0.5
203.12727	0.7
205.15900	1.1
215.14294	0.6
215.17761	1.0
219.17406	2.6
229.19508	0.6
233.15331	0.7
235.16840	0.8
243.21085	0.8
247.20720	0.7
251.16386	5.7
253.19455	0.6
257.18860	1.1
261.19174	0.7
261.22098	6.7
271.20538	1.8
275.19992	6.3
275.60196	0.6
276.20575	0.5
279.23166	0.5
289.21576	30.3
290.21823	1.4
301.25598	0.4
307.22638	100.0
307.27902	14.9
308.22989	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	307.2261
Annotation	Litseakolide B
Peak:m/z	Relative Intensity
51.62552	2.0
53.03204	2.1
55.05500	17.1
57.03433	18.8
57.07048	2.9
58.47167	2.3
62.32499	2.1
65.03928	2.6
67.05167	4.0
67.05498	62.5
68.79450	2.0
69.07054	15.3
69.36726	14.1
69.37149	9.3
71.04962	2.3
79.05486	41.4
81.07047	55.6
83.08598	5.9
91.05476	19.9
93.07030	44.0
95.04945	3.2
95.08595	40.1
98.21490	5.2
105.06997	11.1
107.08612	15.3
109.06462	2.6
109.10142	17.6
119.08542	10.1
121.02828	2.6
121.10135	19.6
123.11694	4.7
125.09631	2.5
131.08553	7.9
133.10117	7.0
135.11679	10.2
136.72031	2.2
145.10120	6.8
147.11725	2.6
149.13257	3.2
159.11696	2.8
173.13245	2.7
215.17938	6.4
233.18987	4.5
307.22635	100.0
307.28082	3.9
308.22968	8.4
308.29440	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2264
Annotation	Wyethic acid
Peak:m/z	Relative Intensity
53.03940	1.5
55.01847	2.0
55.05505	13.8
57.03435	7.1
57.07044	5.5
60.22953	1.4
67.05495	27.2
69.03400	5.4
69.07056	12.5
70.06570	1.7
70.43867	3.7
70.44270	2.4
71.04953	3.5
79.05482	18.6
81.03365	1.6
81.07048	27.6
83.04955	2.6
83.08609	7.1
84.08128	12.2
85.06516	3.7
86.09708	2.1
87.04416	2.3
89.14457	1.6
89.41004	1.7
91.05455	15.3
93.07036	26.6
94.07352	1.5
95.04932	5.2
95.08594	24.1
97.06500	5.6
97.10139	3.6
100.73918	1.3
105.07010	23.1
107.04945	2.3
107.08585	22.7
109.05794	1.6
109.06503	25.8
109.09544	1.6
109.10152	15.0
109.10840	2.5
111.04422	1.8
111.05468	1.7
111.07993	2.7
114.82915	1.7
116.36035	1.6
117.06982	4.0
119.08565	14.2
121.02840	5.2
121.06506	14.2
121.10133	10.7
122.98711	1.5
123.08036	6.7
123.11648	4.5
125.09554	1.9
127.12300	3.5
129.05411	2.7
129.07213	1.4
131.08578	9.0
133.10109	7.7
135.08060	7.8
135.11652	5.5
137.05934	1.8
137.09573	2.4
143.08530	2.5
145.10106	10.9
147.11615	6.6
149.09592	2.7
149.13176	6.8
157.10039	2.0
159.11658	7.0
161.09633	1.6
161.13239	2.1
163.11150	7.1
163.14839	2.5
165.12733	15.8
173.09636	1.9
173.13156	3.7
177.12683	5.3
179.04756	2.1
187.14738	3.2
191.14304	1.8
191.17949	1.9
201.12697	2.5
215.17857	5.0
221.20895	2.0
233.15282	2.8
233.18959	1.7
243.21068	3.4
251.16324	4.6
261.22067	13.4
271.20239	1.4
289.18475	4.8
289.21585	100.0
290.21783	8.1
290.41614	1.7
292.66641	1.7
307.09348	3.4
307.22568	60.7
307.27567	2.7
308.22791	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	307.1899
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	3.0
55.01862	8.1
55.05503	28.3
57.03428	19.9
57.07065	6.2
63.56688	2.4
65.03918	2.9
67.05499	27.2
69.07040	9.5
71.04974	3.3
71.62388	3.6
79.05479	27.8
81.03398	5.5
81.07042	20.9
83.04949	6.9
83.08605	11.2
84.08115	15.4
85.06553	2.8
87.04408	2.6
91.05463	18.8
93.07040	19.2
95.04948	16.6
95.08580	12.5
97.06519	3.3
97.10181	14.9
103.05434	7.0
104.05787	2.9
105.03346	2.6
105.07001	22.4
107.04935	10.3
107.08566	17.6
109.06497	9.9
109.10138	12.6
115.60463	2.2
117.07003	9.7
119.08575	16.0
120.08080	20.8
121.02847	6.4
121.06480	7.5
121.08427	15.5
121.10115	10.3
123.11654	2.6
124.84690	2.4
125.09595	9.3
127.12309	3.1
128.06169	5.4
129.06918	3.1
131.04909	6.9
131.08516	9.1
133.10092	5.4
134.09583	5.4
135.08006	10.6
135.09981	2.7
135.11688	3.0
142.07744	6.5
143.08548	6.7
145.06454	3.4
145.10124	6.6
147.08035	7.7
147.11632	3.5
153.06941	3.7
153.09067	4.4
155.08542	6.5
156.09277	2.9
157.10086	7.1
159.08028	31.5
159.11665	6.8
161.09557	4.5
163.07556	4.0
163.11230	2.9
166.13104	3.4
167.08594	2.8
169.10101	9.8
171.11604	4.7
173.09621	3.4
173.13278	6.1
177.05478	3.4
177.09100	4.9
181.10051	4.8
183.11642	5.8
185.09583	5.5
185.13162	3.9
187.11040	3.2
187.14771	4.2
189.11201	7.9
193.10187	4.6
193.12057	2.4
195.11664	6.1
197.13255	6.2
199.11108	2.8
199.14781	5.3
207.11646	5.9
209.13249	4.8
211.11342	2.4
211.14832	3.6
215.14351	5.9
218.10925	3.0
221.08052	2.4
221.13280	4.4
223.14838	5.3
225.16301	2.4
233.13300	3.7
233.15323	13.6
235.14909	4.4
237.12764	4.6
237.16327	2.5
239.17862	7.2
249.16464	3.2
251.14281	6.2
253.15819	4.1
261.24060	60.4
261.56741	2.7
263.17905	3.4
271.17029	14.7
279.21140	4.7
289.17838	54.8
307.06097	4.4
307.09482	5.6
307.15335	2.8
307.20456	36.4
307.24527	100.0
325.15695	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1681
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05028	2.3
58.06585	3.8
69.03402	0.7
69.95440	1.4
69.95850	0.8
70.06583	1.1
71.03718	0.3
81.07053	0.6
84.04494	24.4
84.08130	100.0
85.02888	0.5
85.08470	1.6
86.06052	6.7
86.09688	5.6
86.62780	0.4
88.03984	1.4
95.43052	0.4
96.04496	0.4
98.20792	0.5
109.53046	0.4
114.12721	0.4
127.03889	0.8
127.12313	0.6
130.08611	1.3
140.03345	0.5
141.13843	7.0
146.06003	1.9
152.10654	0.4
169.13333	8.2
186.76175	0.4
198.11211	1.7
215.13873	37.7
216.14249	0.8
243.17009	52.7
244.17374	2.0
262.10980	3.5
307.16800	24.5
308.17258	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1896
Annotation	Compactin diol lactone
Peak:m/z	Relative Intensity
53.03934	4.2
55.01856	10.6
55.05496	36.6
56.96542	4.6
57.03426	20.2
57.07049	5.0
58.45587	1.7
59.04976	2.4
65.03899	2.3
67.05489	31.1
69.03403	9.6
69.07053	36.1
70.06573	2.3
71.04964	4.1
71.08620	3.7
71.27004	3.2
74.09721	2.7
76.02209	7.6
79.05479	35.6
81.03400	16.9
81.07038	46.9
83.04962	10.4
83.08595	22.7
84.04482	6.5
84.08135	12.9
85.02873	7.8
85.06522	4.4
86.09689	4.1
91.05451	23.1
93.07027	26.9
95.04948	16.6
95.08588	36.2
97.02871	3.0
97.06509	100.0
97.10158	19.2
98.97563	3.4
99.04455	6.4
103.03915	5.3
105.07014	17.1
107.04928	10.2
107.08558	24.6
108.44245	1.9
109.06490	25.3
109.10134	20.9
110.07122	2.5
111.04439	2.7
111.08077	8.7
111.11649	3.7
115.05424	2.9
115.07587	2.0
117.07034	7.9
119.08557	18.1
120.10043	2.0
121.06479	95.7
121.10126	16.0
123.04428	2.4
123.08036	8.6
123.11688	15.8
125.09617	12.1
127.03896	9.1
127.12249	2.3
129.07014	3.9
131.04922	2.5
131.08545	12.9
133.10095	9.3
135.08015	10.4
135.11673	8.4
136.06154	8.4
137.05927	2.2
137.09598	13.2
137.10524	2.1
137.13220	3.7
139.11159	5.4
141.07010	2.2
143.08543	3.0
145.06430	2.4
145.10127	10.1
147.08052	8.4
147.11664	6.4
149.09647	4.4
149.13206	7.5
151.07542	6.5
151.11189	3.0
151.14720	2.4
153.09081	2.1
155.08537	2.7
157.10109	6.8
159.08009	47.5
159.11658	3.7
161.09586	6.7
161.13295	4.9
163.07405	3.7
163.11150	5.4
165.12758	2.9
169.10117	2.8
173.09628	4.8
173.13174	3.5
175.11171	5.2
177.09073	2.6
177.12662	2.6
179.04799	4.0
181.12199	3.6
183.11574	2.7
185.09569	7.3
185.13240	2.5
187.05974	2.3
187.14673	3.4
189.09267	2.1
189.11079	4.4
189.12643	4.4
193.12210	8.5
199.11203	2.7
205.15959	2.3
211.11275	3.3
211.13235	4.4
215.14267	6.3
215.17908	2.7
219.01843	3.3
225.02390	2.0
233.15288	6.1
243.17242	2.2
247.24123	3.4
253.15858	12.0
259.09680	3.4
261.18475	4.8
271.16919	12.9
271.23923	3.9
275.05417	2.4
289.17911	57.6
289.25159	5.7
307.19003	24.8
307.26328	14.8
308.20789	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	307.1534
Annotation	5-Oxolasiodiplodin
Peak:m/z	Relative Intensity
51.24989	0.4
55.05489	0.8
57.03422	1.0
64.79933	0.3
67.05495	4.8
69.07040	1.0
69.29320	4.2
71.04969	1.4
71.05327	0.4
76.73141	0.3
79.05491	1.8
81.07042	3.7
83.08622	0.6
84.08123	0.6
85.06518	0.6
86.34303	0.4
91.05470	3.5
91.84203	0.4
93.07031	2.5
95.04941	0.3
95.08609	3.0
105.07007	1.5
107.08542	1.1
109.06506	0.8
109.10110	1.4
115.05441	0.4
116.06246	0.6
117.06969	0.6
119.08562	1.5
121.02874	0.5
121.06474	0.9
121.10091	1.0
123.11691	0.5
125.30201	0.4
128.06262	0.7
129.07018	0.7
131.04869	0.4
131.08553	5.9
133.10129	1.4
135.11723	0.7
137.05975	4.2
138.06271	1.6
141.06961	1.8
143.08519	0.5
144.05675	1.1
145.02806	1.1
145.06438	0.5
145.10106	0.6
149.05969	0.7
149.13217	0.9
159.08028	10.0
159.11606	0.7
161.05948	1.2
161.09590	0.9
163.03857	1.0
165.12704	0.5
173.09593	1.3
173.13193	0.6
175.07532	1.0
177.05478	1.0
177.09138	1.2
179.06993	0.5
187.07515	15.1
188.07990	0.5
189.09093	5.8
189.86922	0.4
191.10646	0.9
201.09059	3.5
203.10654	1.3
205.05005	1.8
205.08559	1.9
215.17934	1.4
217.08575	54.6
218.08885	2.4
219.10127	1.7
223.09608	1.4
229.08606	0.9
235.09621	100.0
236.09956	3.7
243.13762	3.1
245.11636	0.4
247.09604	3.0
261.14862	1.6
271.13303	4.0
289.14304	23.6
290.14600	1.0
307.15366	34.9
307.22644	5.8
307.27942	0.8
308.15765	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1533
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70874	0.3
53.03941	1.6
55.05503	60.7
56.05836	1.1
57.03418	0.3
57.07056	0.5
67.05494	2.3
69.07048	0.6
69.90771	1.1
69.91180	1.1
79.05489	1.4
81.07047	1.6
83.04970	100.0
84.05306	1.5
91.05476	0.7
93.07033	1.2
95.04945	0.4
95.08588	1.7
105.07019	0.9
107.08599	0.7
109.10157	0.6
115.05451	0.5
121.10119	0.7
123.08059	0.6
125.66474	0.3
130.06502	0.8
132.17671	0.3
137.06036	0.4
138.06244	0.4
145.10097	0.5
153.06973	0.5
154.07756	0.5
155.08598	0.4
163.03963	0.5
169.09964	0.4
178.06288	0.7
180.07898	0.5
181.08788	0.7
194.09654	0.7
195.06485	0.4
195.09000	0.4
197.08057	1.2
209.08020	1.5
209.10767	0.4
218.09624	0.4
221.10716	1.5
222.11479	1.3
223.12215	1.0
225.11165	0.9
235.09769	0.8
235.12149	0.9
236.13023	0.8
255.51549	0.4
264.17365	0.5
266.19101	1.9
279.18558	0.5
282.44678	0.4
289.21335	0.6
290.18887	1.1
307.10730	0.8
307.14917	0.6
307.21658	18.5
308.22318	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1282
Annotation	Brachystemidine B
Peak:m/z	Relative Intensity
55.01865	1.1
55.05493	0.4
57.14178	0.3
67.05481	0.5
67.21178	0.3
69.03397	0.8
69.07043	0.7
70.06567	1.1
71.42644	0.8
79.05478	1.0
81.03387	0.6
81.07018	0.9
84.04472	0.4
84.08126	5.2
85.02889	1.5
86.09692	0.7
86.89657	0.3
91.05505	0.7
93.07032	0.4
94.06550	0.5
95.08608	0.7
97.02870	0.8
98.06043	0.6
99.04426	0.6
103.03938	1.7
105.07007	0.5
107.04929	0.4
107.08555	1.1
108.04449	0.4
109.02879	0.7
109.10154	0.4
110.06102	0.3
112.07632	0.5
120.08081	0.7
122.05992	1.6
123.08090	0.4
124.07533	0.7
127.03917	2.0
127.12282	1.3
130.06546	0.4
135.08052	1.5
136.07617	0.7
138.05463	0.7
140.07027	1.8
145.04941	0.6
146.09602	0.4
150.05426	0.5
150.09070	0.5
156.08064	0.4
159.09196	0.4
160.07542	1.6
163.08653	1.1
168.06528	1.8
170.09703	0.4
173.07010	0.5
173.10718	0.5
174.09108	2.2
176.07060	0.5
177.10228	0.9
178.08609	10.7
182.08185	0.6
184.07567	1.2
186.09148	0.5
187.08650	1.1
188.07050	3.2
189.10309	0.4
191.08131	1.0
196.09654	0.5
198.09114	1.3
200.10715	0.4
201.06577	0.4
201.10246	2.1
202.08575	4.0
204.10201	0.7
205.09726	3.4
206.08072	2.0
212.07048	1.0
215.08151	0.4
215.11652	0.4
216.10307	2.3
217.09659	0.4
219.07643	1.2
219.11293	4.0
220.07726	0.3
220.09717	1.4
225.10217	0.5
226.08604	1.8
229.09758	4.6
230.08093	2.9
243.11284	1.5
244.09624	3.8
247.10748	10.4
247.13193	0.7
248.09116	1.1
253.09769	0.4
254.07936	0.4
261.12320	1.1
262.10699	1.8
265.11786	11.0
266.12268	0.4
271.10751	1.5
271.22803	0.3
272.09180	1.3
279.13727	0.4
289.11783	13.8
289.18539	0.5
290.10037	0.4
307.12833	100.0
308.13187	2.9
316.18686	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1021
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.6
55.01867	1.7
57.03420	4.0
58.61713	1.0
61.02918	4.9
63.77629	1.0
64.60218	1.1
69.03419	28.6
69.68490	8.3
71.04985	7.6
73.02918	2.4
81.03410	17.2
81.07069	1.3
84.08129	4.4
85.02892	100.0
86.09685	1.4
91.03924	1.3
91.05471	2.2
97.02882	34.6
98.20796	1.3
99.04443	38.5
103.03929	78.2
104.04265	1.2
107.08614	1.4
109.02863	17.3
127.03898	95.9
127.12276	1.2
128.04259	1.2
145.04936	40.0
147.09106	1.6
163.06009	12.0
170.01416	1.2
173.07123	1.3
187.06018	8.8
191.08104	13.0
205.07054	9.8
229.71503	1.6
271.08118	3.4
288.86899	1.1
289.09015	2.5
307.12903	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	307.1019
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.9
55.01868	1.4
55.05494	0.7
57.03439	4.1
61.02916	2.4
69.03422	25.6
70.23742	2.2
71.01318	0.6
71.04984	6.5
71.33348	0.5
73.02906	4.0
74.39111	0.5
75.05815	0.5
81.03412	23.0
81.07053	1.2
82.03747	0.7
83.01357	0.7
84.08147	0.9
84.82796	0.5
85.02896	84.0
86.03227	0.6
87.04460	1.0
89.68825	0.5
91.03957	1.5
95.04960	0.6
95.08585	0.7
97.02881	19.3
98.03259	0.5
99.04446	43.6
100.04819	0.7
101.02404	0.9
101.61046	0.5
103.03931	83.9
104.04266	0.9
109.02867	21.0
115.03941	1.1
124.07655	0.6
127.03904	100.0
128.04248	0.7
136.07581	0.8
139.03891	0.6
145.04947	36.5
145.58505	0.5
163.06006	8.7
164.07092	0.6
182.37285	0.6
187.06006	16.6
205.07068	10.6
235.05896	0.6
253.07114	1.3
260.24478	0.6
271.08170	3.8
289.09167	1.4
307.10144	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1019
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28117	1.1
53.03947	2.0
55.01869	2.3
55.05507	2.4
56.05036	1.1
57.03425	5.1
58.06577	1.0
61.02911	4.4
67.05496	2.7
69.03423	29.1
69.03797	1.9
69.07054	1.9
70.06593	7.6
70.58996	2.3
70.59357	2.8
71.04984	7.1
73.02901	2.4
74.11147	1.0
76.02208	4.1
79.05482	5.1
79.48473	1.0
81.03406	20.6
81.07030	4.8
83.01345	1.2
83.04963	1.9
84.04493	3.3
84.08137	19.8
85.02896	100.0
86.03212	1.5
86.09707	6.7
87.04436	1.5
91.03909	1.4
91.05465	3.3
93.07044	3.8
95.04955	2.9
95.08591	2.9
97.02886	34.6
97.06534	1.8
99.03897	1.0
99.04440	44.8
103.03930	76.0
105.06981	2.6
107.04995	1.4
107.08578	3.1
109.02864	18.4
110.07108	1.1
115.03917	1.4
119.08604	2.8
120.08114	1.7
127.03903	95.7
127.12304	5.3
128.04207	2.3
130.04970	1.9
131.08513	2.3
133.10168	1.3
135.11662	1.2
143.08475	1.5
145.04935	34.1
145.10017	1.7
146.20831	1.1
152.07068	1.5
152.68422	1.1
163.05989	11.6
169.04889	1.6
173.07155	1.1
179.04813	2.0
187.06015	9.1
191.08128	6.1
201.68860	1.2
205.07059	8.7
236.92647	1.3
271.08127	2.4
289.09097	1.9
289.11905	1.5
289.18323	2.3
307.09726	3.2
307.13058	6.9
307.19492	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	306.2784
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48923	0.2
53.03932	0.3
55.01848	0.6
55.05502	5.8
55.49113	0.1
56.05022	0.2
57.03419	0.2
57.07065	0.9
57.38824	0.1
62.12069	0.1
64.67523	0.1
65.03912	0.2
67.05491	8.8
69.03416	0.2
69.07056	7.4
70.06553	0.2
71.04974	0.3
71.08604	0.2
71.60798	0.2
72.04477	0.5
74.06064	0.1
78.04085	0.1
79.05478	2.2
81.07042	7.2
82.06552	0.3
83.08135	0.2
83.08604	3.0
84.04469	0.2
84.75603	0.2
85.05268	2.1
86.06016	0.8
88.23229	0.1
91.05475	1.3
93.07021	2.0
94.06568	0.2
94.93161	0.1
95.04966	0.2
95.08593	4.9
96.08094	0.3
96.08805	0.1
97.06487	0.3
97.10151	1.0
98.06037	13.5
98.09673	0.2
99.06814	0.2
99.08045	0.2
100.07590	0.2
105.06998	0.9
107.08585	1.1
108.08047	0.2
109.06459	0.5
109.09451	0.2
109.10138	1.9
110.09641	0.5
110.96745	0.1
111.04427	0.3
111.08072	0.2
112.07591	1.6
119.08599	0.7
120.08062	0.2
121.10104	0.7
121.33333	0.1
122.03643	0.3
123.11694	0.4
124.07549	0.6
124.11199	0.2
125.08323	0.1
126.09133	0.5
126.12022	0.1
133.10097	0.5
135.11656	0.3
137.05943	4.7
137.09621	0.2
137.13219	0.2
138.09113	0.3
138.12715	0.1
139.09732	0.1
140.10657	0.6
145.10089	0.2
147.11681	0.3
152.10602	0.2
154.12277	0.7
155.16499	0.1
161.13162	0.1
166.12273	0.3
168.13779	0.5
170.15407	0.2
180.13753	0.2
182.15382	0.4
194.15424	0.4
196.16922	0.5
208.16893	1.1
208.20383	0.2
210.18497	0.3
222.18466	0.5
224.20111	0.2
236.19971	0.5
242.68454	0.1
250.21683	0.2
275.20050	0.2
289.21671	0.2
306.27844	100.0
307.22739	1.0
307.28140	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	306.2422
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13659	0.8
55.01866	4.9
55.05503	8.6
57.03421	1.8
57.07071	4.8
61.54111	0.8
67.05492	13.7
69.03403	2.2
69.07059	11.9
69.61022	3.9
69.61441	2.5
70.06578	1.9
70.77406	0.8
71.04992	1.6
71.08622	10.5
79.05474	12.9
81.07043	21.7
83.04962	2.4
83.08611	3.6
84.08109	1.5
85.06536	2.0
86.09700	1.1
91.05470	7.7
93.07030	19.1
94.04168	1.6
95.04964	13.5
95.08595	27.9
97.06521	7.7
97.10167	1.6
98.09647	1.0
99.08085	5.9
100.07606	1.3
105.07021	9.2
107.04928	1.5
107.07350	1.2
107.08577	12.5
109.06503	23.4
109.10140	9.0
111.08076	1.9
112.11265	1.0
114.09140	1.3
117.07004	1.9
119.08566	10.0
121.02827	0.9
121.06472	7.9
121.10130	6.2
122.03601	5.3
123.08041	2.4
123.11652	1.7
129.07089	1.0
131.08560	8.4
133.10123	7.4
135.08040	3.7
135.11662	3.7
137.05959	100.0
137.09570	5.0
138.06270	2.8
138.12817	1.3
143.08450	1.2
145.10138	4.2
147.11662	3.5
149.09567	1.8
149.13239	3.7
151.11099	1.3
151.14851	1.6
153.12750	2.6
154.12248	5.4
155.08498	1.3
157.10086	1.4
159.11638	3.0
161.13254	1.2
163.11119	7.1
163.14793	2.8
165.12732	72.7
166.13155	1.5
170.15378	1.3
173.13234	6.6
175.11191	5.4
177.12775	2.7
179.14343	1.3
182.15393	2.1
184.13345	2.6
187.14873	2.2
191.14268	12.5
192.13794	1.6
197.13152	1.5
201.12688	2.4
205.15990	1.0
208.16986	3.5
215.17896	1.1
221.15347	2.0
229.19571	1.3
233.15323	1.8
243.21024	1.6
250.18033	2.3
253.19426	1.2
261.22086	6.1
262.25223	3.5
267.40680	1.0
271.20486	6.4
288.23276	2.8
289.21573	55.9
290.21973	2.4
306.10211	1.0
306.20850	2.4
306.24225	67.7
306.27823	22.5
307.22012	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	306.2423
Annotation	17beta-Nitro-5alpha-androstane
Peak:m/z	Relative Intensity
53.03918	0.5
55.01842	0.4
55.05473	2.1
56.96529	0.5
57.03397	1.1
57.07066	10.4
58.34476	0.5
67.05493	2.8
69.03374	0.6
69.07030	1.2
69.35324	4.1
69.35736	1.1
70.06571	0.6
71.08589	2.1
73.12733	0.4
74.09673	0.5
79.05474	3.7
81.07045	2.4
83.08607	1.0
84.08094	2.0
85.10143	1.2
87.04400	0.9
88.03975	1.3
91.05422	1.6
93.07028	3.4
94.04232	0.5
95.04926	1.8
95.08555	1.6
103.05450	9.3
105.06369	0.8
105.07002	9.5
107.04955	3.9
107.08534	1.5
109.06476	0.9
109.10094	0.7
117.06978	1.3
119.08524	1.8
120.08081	45.8
121.02782	0.6
121.06431	0.8
121.08371	0.7
121.10107	0.9
125.09579	0.8
127.03944	0.5
129.06940	0.5
131.04918	4.8
131.08533	1.0
133.10095	1.4
134.09618	10.3
135.08003	0.9
137.05956	2.4
137.09538	0.6
145.10023	1.1
149.05933	0.5
157.10056	0.9
159.07997	2.1
165.12704	1.9
166.08624	1.0
169.10051	0.6
183.11664	0.5
187.14717	0.5
195.11595	0.6
199.14778	0.6
207.11658	0.8
215.14235	0.9
220.20561	1.7
237.70033	0.5
242.24797	0.6
244.25562	2.2
251.14326	0.7
260.23688	62.2
261.24039	3.3
264.98511	0.5
271.16931	1.4
289.17935	3.8
289.21585	1.5
306.24213	100.0
307.05859	0.9
307.09326	0.6
307.20407	3.2
307.24493	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	305.1717
Annotation	(2S)-2-amino-4-{6-[(3-methylbut-2-en-1-yl)amino]-3H-purin-3-yl}butanoic acid
Peak:m/z	Relative Intensity
54.26685	0.5
55.05493	0.8
57.03399	0.6
58.06591	0.8
67.05481	1.7
69.03410	0.8
69.07037	1.7
69.54391	4.6
70.06574	1.2
71.04961	0.7
79.05453	1.1
79.51513	0.5
81.07037	2.7
83.08631	0.5
84.04462	0.6
84.08129	1.5
85.48930	0.5
90.07274	0.5
91.05459	1.4
93.07011	1.9
94.24862	0.5
95.04943	0.7
95.06060	0.6
95.08594	2.8
97.10159	0.5
102.37462	0.5
105.07023	2.3
107.08557	1.1
109.06477	0.6
109.10148	1.6
117.07002	0.7
119.08540	1.7
121.10152	1.2
123.08078	0.6
123.11696	0.6
124.07562	1.8
125.09566	0.7
131.08511	0.7
132.59132	0.5
133.10123	1.3
136.06126	0.8
137.05882	0.5
143.08528	0.7
145.10112	0.7
147.11588	0.6
159.11658	0.6
161.13290	0.5
189.09120	0.7
206.05605	0.5
213.12714	0.6
219.09891	1.8
220.17671	0.8
227.21901	0.7
243.21541	2.6
245.23045	0.7
247.16945	1.4
287.16138	12.3
287.23871	0.9
288.19577	0.6
305.17197	100.0
305.24863	3.0
306.17407	3.9
306.20615	6.5
306.26276	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.2268
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	3.7
56.05022	0.7
56.96550	0.9
57.07058	2.1
60.04514	8.2
65.47440	0.6
67.05499	3.2
68.05001	0.8
69.03421	0.8
69.07051	5.4
70.06569	2.0
70.07347	0.5
71.04959	0.8
71.57537	1.0
72.04517	1.0
72.08138	0.9
74.06067	0.9
74.09704	8.6
79.05464	1.9
81.03410	0.7
81.07043	5.3
82.06583	0.7
83.08620	3.0
84.08119	2.6
85.02918	1.2
86.43057	0.6
88.03976	17.7
90.05601	0.6
91.05460	1.7
93.07027	3.1
94.07332	0.7
95.04947	0.9
95.08582	5.3
96.08964	0.8
97.06493	1.6
97.10136	1.8
98.97572	0.6
103.03867	0.6
105.06998	1.8
106.04987	0.5
107.08567	2.0
109.06509	0.7
109.10136	2.5
110.07151	1.3
111.08064	0.8
114.09147	0.6
117.06960	0.7
118.04979	0.9
119.08550	1.1
121.06467	0.6
121.10111	1.6
122.10449	0.8
123.11664	1.9
127.03851	0.8
129.10182	0.6
131.08556	0.8
133.10101	1.3
135.07994	1.2
135.11655	1.5
137.05972	2.7
147.11678	0.6
149.09526	0.5
152.05630	4.6
153.12753	0.6
163.11255	0.7
170.19028	4.1
172.89050	0.6
173.09575	0.8
180.17384	0.6
182.19118	0.7
198.18501	22.9
199.18863	1.2
218.53093	0.6
231.06438	0.9
244.19041	100.0
245.19386	5.5
267.19751	0.7
270.20450	0.8
271.16794	0.9
288.21606	4.7
289.17947	2.6
289.25107	1.2
306.16830	0.9
306.20245	1.1
306.25363	2.6
307.19089	1.2
307.26285	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.2056
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	0.3
67.05479	0.3
69.07052	1.3
70.76941	0.3
70.77283	0.5
78.89001	0.2
79.05474	0.6
81.07034	0.4
82.80886	0.2
85.15287	0.2
91.05460	0.4
92.97088	0.2
93.07037	0.4
94.04146	1.6
95.08609	0.3
97.06519	0.3
103.22440	0.3
106.35406	0.2
107.08582	0.6
109.10143	0.5
114.09137	0.4
116.75385	0.2
122.03629	4.0
126.09109	0.4
130.42441	0.2
133.10091	0.9
135.11662	0.9
137.05952	100.0
138.06270	0.8
153.12723	1.0
170.15376	2.0
182.15381	3.1
211.42041	0.2
306.20636	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1492
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.0
56.43762	0.2
56.96304	0.2
57.51475	0.3
57.75060	0.3
59.15849	0.2
62.40775	0.2
67.05498	1.2
69.07060	0.4
69.56421	1.6
69.56830	0.6
72.08138	0.3
77.03928	0.4
79.05476	0.8
81.03410	0.4
81.07039	1.3
83.19697	0.2
84.08144	0.4
84.30377	0.3
85.02911	0.3
85.06512	0.3
91.05463	2.6
93.05765	0.3
93.07024	3.1
94.06569	0.4
95.04958	1.2
95.08583	0.4
96.08125	0.7
97.06474	0.3
98.72652	0.2
99.37578	0.3
105.04521	0.4
107.08595	0.4
108.08079	1.3
109.10123	0.5
112.28498	0.3
119.08549	0.4
120.08095	0.3
122.06021	2.0
123.11673	0.4
124.07566	10.0
126.05510	1.1
129.06999	0.3
130.04976	0.9
135.75655	0.2
136.07553	100.0
137.07887	1.1
138.09067	0.6
140.07033	1.1
150.05496	0.6
152.07043	19.1
164.07037	84.0
165.07362	1.0
166.08612	0.3
168.06621	0.4
170.08098	7.6
176.14362	1.7
182.08104	21.1
183.08403	0.5
269.12674	0.6
287.10553	0.4
287.13834	6.0
305.05438	3.1
305.11499	0.5
305.14893	4.4
305.18204	0.5
305.24631	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.149
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.0
58.64322	0.5
59.02883	0.5
67.05496	2.4
69.07050	2.1
70.06583	5.4
70.76318	0.5
70.76653	1.1
77.19597	0.5
79.05482	1.2
81.07036	3.2
82.51103	0.4
83.08608	0.6
91.05470	3.1
93.05763	0.6
93.07032	4.0
94.06560	1.7
95.04951	1.9
95.08585	1.4
97.06532	0.7
107.08578	1.5
108.08102	1.3
109.06515	0.6
109.10120	1.6
112.07591	5.8
121.10119	1.4
122.06004	8.2
123.11658	0.9
124.07565	9.6
126.05495	1.2
135.11642	0.8
136.07550	100.0
137.07901	1.4
138.09109	1.3
140.07031	4.5
150.05508	1.0
151.11159	0.8
152.07039	19.1
153.12720	0.5
164.07036	78.7
165.07388	1.5
166.08627	2.5
170.08090	4.9
181.72084	0.5
182.08095	19.6
184.09605	2.0
287.13834	8.1
287.23651	0.6
305.14923	2.3
305.24750	2.5
319.70984	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1014
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	0.4
57.03413	0.9
67.05482	0.3
69.66026	2.0
81.07032	0.7
91.05447	1.1
93.07025	0.3
94.13770	0.3
101.19933	0.3
102.97532	0.3
105.07008	0.6
109.10143	0.3
115.05405	1.5
116.06249	0.5
117.06988	2.4
118.77028	0.3
119.08553	0.6
121.10136	0.3
125.37164	0.3
128.06218	0.9
128.19130	0.3
129.06960	1.4
131.04883	1.8
131.08543	0.4
132.05669	0.7
133.06387	0.3
135.08037	0.5
136.06172	0.3
144.05647	0.3
145.06444	5.0
145.07503	0.5
147.08006	1.2
155.04863	1.2
155.05931	0.6
159.04366	1.1
159.08003	0.5
160.05165	6.1
161.05952	2.6
163.07523	2.0
170.03555	0.9
171.04353	0.5
172.05156	4.6
172.06529	0.5
173.02315	3.4
173.05859	1.3
174.02913	0.4
175.07529	5.3
181.21469	0.3
183.05534	0.6
185.05940	7.9
187.03874	1.1
187.07538	1.0
188.04642	48.4
189.04987	1.7
191.03351	0.4
196.76869	0.3
203.06985	100.0
204.07304	3.8
205.08569	0.7
206.05710	1.1
216.04120	0.9
231.06468	75.6
232.06831	3.8
249.07529	19.5
250.07921	0.9
305.10190	2.6
305.17209	3.4
305.20755	0.5
305.28772	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.2475
Annotation	Unknow
Peak:m/z	Relative Intensity
54.97166	0.4
55.05499	5.6
57.07058	0.5
60.91468	0.3
61.27983	0.4
67.05479	0.6
68.05017	1.0
69.03405	2.8
69.07054	2.8
70.06576	8.1
70.13134	1.8
71.08636	0.5
81.07053	1.2
83.08592	4.1
84.08134	0.5
86.06050	8.7
87.04451	18.1
95.08592	1.5
97.10157	1.9
98.06035	61.4
98.21393	0.6
99.06358	0.8
104.07111	1.0
105.06990	0.6
112.07592	0.9
126.09085	0.5
133.10072	0.6
137.07098	0.4
145.85048	0.4
156.17453	10.0
224.20032	8.3
225.20251	0.4
242.21094	100.0
243.21483	4.3
286.23709	17.7
287.23959	0.9
304.24759	45.2
305.25131	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	304.2992
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07055	0.4
58.06595	0.2
64.73642	0.2
66.72620	0.2
67.05482	0.6
69.07057	0.4
71.63403	0.3
79.05496	0.4
81.07024	0.6
86.06060	0.2
91.05476	1.2
93.07008	0.5
95.08624	0.3
107.07336	0.4
107.08562	0.3
109.10126	0.2
113.05982	0.8
116.72643	0.2
117.05573	0.2
120.08123	0.4
121.08869	12.1
122.09138	0.3
133.10138	0.2
134.09631	5.5
135.10440	1.3
137.05942	0.2
142.08543	0.2
148.11176	5.8
162.12772	0.7
166.04265	0.2
176.14308	1.7
184.09642	0.2
190.15871	0.6
204.17461	1.0
206.19014	0.2
218.18985	0.8
220.20569	0.3
232.20602	0.8
238.76724	0.2
242.21249	0.3
257.05814	0.2
260.23697	0.4
264.58359	0.2
304.05347	0.5
304.29935	100.0
305.10205	0.2
305.24762	0.4
305.30273	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	304.2265
Annotation	Samandarone
Peak:m/z	Relative Intensity
55.05436	1.5
56.04978	0.4
56.96511	0.7
57.07032	0.6
60.04475	0.5
67.05420	1.7
67.85156	0.4
69.03362	0.7
69.06981	2.0
70.06514	1.3
71.08545	0.4
71.62202	0.6
74.85455	0.4
79.05408	0.5
81.06973	1.9
83.08545	1.3
84.08132	2.5
87.04458	27.5
87.04942	1.4
88.03926	0.9
88.07542	0.7
91.05415	0.6
93.06987	0.9
94.06487	0.4
95.08580	2.3
97.10095	0.4
98.09681	2.3
105.07009	0.9
107.07265	0.4
107.08534	0.6
109.10080	0.9
112.11172	0.6
113.05914	0.7
118.06525	10.2
119.07310	8.6
120.08092	2.2
121.10081	0.7
122.02625	0.7
127.42820	0.4
132.07990	1.1
133.08791	0.4
136.06169	16.2
137.04480	0.5
142.08598	0.4
190.15878	1.6
196.20596	4.1
204.10168	0.4
204.17436	0.5
212.20131	0.4
218.19009	63.2
219.19374	1.1
228.23212	2.0
242.21117	34.9
242.24988	1.7
246.25111	0.5
251.20071	1.6
281.10648	1.3
286.18518	0.9
286.23938	1.0
286.27322	0.7
304.05377	0.9
304.22723	100.0
304.28522	4.1
305.10297	0.6
305.23099	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	304.2474
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05256	0.4
55.05506	4.9
57.07063	0.6
66.14851	0.3
67.05490	1.5
68.05016	0.6
69.03414	2.6
69.07058	3.7
70.06581	9.3
70.80882	1.1
71.08605	0.5
72.08157	0.4
79.40009	0.3
81.07044	1.1
83.08609	4.2
84.04492	0.4
86.05558	0.7
86.06055	9.0
87.04455	18.8
95.08605	1.4
97.10172	1.5
98.06040	57.6
99.06357	0.7
99.39579	0.4
104.07059	0.7
105.36747	0.3
109.10146	0.5
112.07592	1.0
123.11745	0.4
123.77795	0.4
126.09084	0.3
156.17455	10.0
157.17900	0.5
168.13760	0.3
224.20068	8.2
242.21106	100.0
243.21451	3.9
272.53790	0.4
276.34369	0.3
286.23721	19.7
287.24057	0.9
304.24765	49.6
305.25076	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	304.1862
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05479	0.9
56.05030	7.3
56.52741	1.0
56.96546	4.6
57.03412	1.1
58.06576	3.8
60.04524	1.5
60.05645	1.0
61.01134	1.7
63.40634	1.0
67.05492	1.2
69.03423	1.9
69.07070	5.8
70.06583	31.4
71.06887	1.1
71.61144	1.8
71.61505	1.2
72.08141	6.0
74.06073	14.9
75.45131	1.4
75.92333	1.1
77.61671	1.0
79.05441	1.5
81.03405	3.1
81.07064	1.7
82.06576	3.3
84.04497	6.0
84.08135	9.3
85.02875	6.3
85.07624	1.2
85.08432	1.1
86.06065	6.8
86.09694	100.0
87.04456	3.2
87.10031	1.4
88.03973	3.3
88.85637	1.1
95.08601	1.7
96.08120	1.4
97.02871	2.4
98.06048	5.3
98.09657	1.2
98.97575	1.5
99.04444	1.2
100.03964	1.3
101.07115	8.1
102.05521	4.9
104.05312	3.1
107.08533	1.2
110.07133	2.0
110.33520	1.0
112.08712	1.9
113.05973	1.9
113.07159	1.1
114.05521	14.2
116.07066	2.8
116.98577	2.4
120.06574	4.5
124.07565	2.0
126.09109	1.5
126.12865	1.1
127.03915	3.8
127.04984	2.1
127.08656	8.2
129.06580	1.9
129.10237	3.3
132.10176	2.6
133.02838	1.6
134.99619	1.3
138.09113	2.0
141.10237	6.5
142.08603	4.4
142.12238	4.8
143.11771	6.0
145.09778	1.2
155.08044	6.1
156.10271	1.8
157.13341	32.1
173.09193	4.1
175.11865	1.9
178.12239	3.1
184.09557	1.2
185.09213	21.7
185.12825	14.6
187.10880	1.3
187.14397	31.5
191.10211	2.6
201.12331	14.6
203.13817	1.3
215.13876	17.0
219.01711	1.6
229.11838	3.0
233.14938	1.3
240.13438	1.5
247.11105	1.3
258.14584	1.7
260.14896	4.9
286.13892	15.6
286.17279	7.8
301.79086	1.3
304.10422	1.7
304.15305	4.3
304.17969	3.9
305.10358	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.1904
Annotation	Alangine
Peak:m/z	Relative Intensity
53.03934	1.0
54.59035	0.4
55.05503	1.0
56.05012	0.4
56.96566	0.4
57.03415	0.5
58.06583	1.1
59.85899	0.4
60.04486	0.5
61.02922	0.5
63.95481	0.3
67.05499	1.2
68.05020	0.9
69.03417	5.0
69.07062	2.3
69.36366	4.1
70.06583	100.0
71.04971	1.9
71.06914	1.8
72.08136	1.5
79.05480	1.1
81.03397	3.3
81.07044	2.0
82.06541	0.5
83.04967	0.7
84.04505	0.6
84.08126	4.9
85.02892	4.2
85.06543	0.7
86.09707	2.3
87.00822	1.1
91.05471	1.4
93.07026	2.3
94.06602	0.5
95.04948	1.8
95.08604	0.8
96.08124	1.0
97.02882	1.1
97.06526	1.5
97.28582	0.4
98.97533	0.4
99.04423	1.7
100.07576	0.5
100.51505	0.4
104.07082	0.7
105.07003	0.9
106.06534	0.7
107.04943	1.0
107.08587	1.2
108.08112	0.8
109.02850	3.2
109.06499	1.3
109.10196	0.4
113.06000	0.5
114.05519	0.8
119.08586	1.0
120.08093	2.6
121.06461	0.8
121.08340	0.5
121.10134	1.3
122.03619	0.8
122.09653	0.6
123.04434	0.7
124.07600	0.8
125.05962	1.6
126.09149	2.9
127.03917	7.1
127.07542	0.6
129.06932	0.6
129.10217	0.6
130.06516	0.6
131.04826	0.4
131.08565	0.7
133.10081	0.6
135.11685	0.8
136.07617	0.6
136.11205	3.3
137.05962	22.5
138.06346	0.8
139.11169	0.5
142.08691	0.7
143.04889	0.4
143.06970	2.5
143.08681	0.6
145.10107	2.5
147.07954	0.5
148.11169	0.9
149.05984	0.6
149.12000	0.7
150.12769	2.4
151.07463	0.4
157.06419	0.5
157.10034	0.6
159.09161	0.8
159.11702	1.1
160.09593	0.5
161.06009	0.7
162.05470	0.9
163.05794	0.9
163.11159	1.0
165.09076	0.4
166.12242	0.7
173.09634	1.1
175.07529	1.3
179.03355	2.1
181.12193	1.1
183.10243	0.8
185.09308	1.4
187.11166	1.7
189.09059	0.4
191.10654	2.2
199.13344	0.5
205.12198	1.5
209.11702	1.6
215.10605	1.1
231.04973	0.5
233.11736	2.3
251.12798	3.5
258.14767	0.7
259.05478	0.6
269.13837	3.4
274.18048	0.8
276.18283	0.4
286.17966	10.3
286.20972	0.7
287.12796	0.4
287.14795	0.8
287.18137	0.7
304.19019	87.6
304.24734	4.0
305.10532	0.7
305.15381	0.7
305.19443	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	304.175
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	3.0
55.01861	7.2
55.05494	11.2
61.68073	2.5
67.05479	18.6
69.03400	9.5
69.07053	23.8
70.06574	9.8
71.04967	6.4
71.62119	3.7
72.08144	3.1
79.05470	12.3
81.06569	3.2
81.07043	43.7
82.07385	4.9
83.04964	16.9
83.08601	4.9
84.08130	7.7
85.02914	2.9
85.06520	10.0
86.09676	3.1
90.94820	3.2
91.05455	10.7
92.05808	2.7
93.07029	49.0
94.07397	2.5
95.04932	20.0
95.08590	20.8
96.08900	2.7
97.02872	2.8
97.06512	17.0
97.10133	2.6
98.97561	3.8
99.04426	8.9
105.07014	22.8
107.04940	4.9
107.08569	38.9
109.06490	16.8
109.10123	9.8
111.08059	8.9
113.05977	12.1
117.06987	4.0
119.08537	9.4
120.08074	4.1
120.08862	4.5
121.06476	18.0
121.10114	25.8
123.08041	6.0
123.11629	3.8
125.05962	11.4
127.07523	7.6
131.08514	6.5
133.10115	6.3
135.08020	9.0
135.11642	10.4
136.07539	3.3
137.05962	13.6
138.06293	7.1
138.09061	4.1
138.12721	4.4
139.07512	5.5
139.11162	5.7
141.05493	4.1
143.07019	3.9
145.10121	23.2
147.04277	2.9
147.11639	9.4
149.09607	12.8
150.09976	3.1
151.07513	7.6
153.05420	4.3
155.06995	2.6
159.08052	3.2
159.11653	7.1
161.09634	3.2
163.11148	37.1
164.07065	5.0
164.11543	2.4
165.12727	3.8
166.08559	3.7
167.10641	11.8
169.08586	43.0
171.05719	2.3
173.09608	8.5
177.12585	3.6
181.12218	17.1
183.13753	7.2
185.09175	5.6
187.11183	7.6
191.10609	16.0
197.12665	2.6
200.10712	3.7
204.18256	2.7
205.12152	9.4
207.13748	5.2
207.58286	2.6
209.11690	43.8
210.10078	2.5
215.10706	3.7
222.94063	3.0
225.14856	4.8
226.14334	5.5
227.12752	88.9
228.13049	3.6
229.09776	3.3
230.11656	3.9
233.11629	22.8
241.09625	3.5
243.16959	18.7
245.12895	9.8
251.12743	100.0
252.13002	3.4
258.11172	12.1
258.13489	4.1
269.13776	63.3
286.13901	3.2
287.13834	15.0
288.12268	3.5
304.05225	25.5
304.11777	8.9
304.19537	2.7
304.23434	11.7
305.10294	6.3
305.14859	17.7
305.24753	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	303.1334
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86620	0.5
51.92265	0.4
52.33073	0.5
53.09345	0.5
55.01853	0.7
55.05499	2.9
57.03417	0.9
57.07038	0.6
65.03918	1.9
67.05493	3.9
68.99787	1.0
69.03400	2.0
69.07061	5.1
70.06571	1.4
71.04984	1.3
71.61958	0.6
72.08142	1.5
74.71768	0.5
79.05484	4.3
81.03404	1.2
81.07045	7.5
83.04965	2.0
83.08590	1.2
84.04450	0.4
84.08125	0.7
84.67414	0.5
85.06524	1.5
86.09680	3.9
87.04410	0.5
87.98461	0.5
91.05463	3.5
92.04993	2.9
93.03404	0.6
93.07027	9.1
94.06538	0.6
95.04950	4.1
95.08588	7.6
97.06522	4.1
99.04436	0.9
103.05452	1.2
105.07010	5.2
107.08586	7.1
109.02863	0.9
109.06519	2.4
109.10155	4.4
111.00799	0.8
111.08089	1.3
113.05994	0.6
117.06987	0.6
119.08548	5.3
120.08088	25.4
121.02827	0.8
121.06507	3.4
121.10114	3.7
123.04391	1.0
123.08043	1.2
123.11713	2.4
124.11271	0.6
125.05941	1.2
125.09685	0.6
127.07527	0.9
128.10680	1.1
129.07072	0.5
131.08545	1.7
133.10112	3.2
135.08014	1.5
135.11679	2.5
137.02361	2.6
137.05954	3.6
137.09563	1.1
138.05478	22.3
138.09102	9.5
139.07509	1.3
139.11172	0.8
142.07764	0.6
143.07027	0.6
143.08531	1.2
145.10118	2.4
147.07994	0.6
147.11647	5.0
149.09631	1.6
149.13263	0.9
150.09065	0.6
151.11139	0.6
153.01805	3.8
157.08635	1.5
157.10103	1.5
159.08041	0.6
159.11685	1.1
161.05960	0.9
161.13243	2.0
163.03850	0.7
163.05066	0.8
163.11133	0.7
165.01854	1.6
165.12733	2.9
166.04974	36.0
167.05276	1.0
167.10748	0.7
169.10179	0.6
170.09668	0.8
171.11641	1.1
173.05916	1.4
173.08218	0.6
173.13248	1.1
175.11189	3.1
175.14836	0.8
175.63293	0.6
177.16504	0.5
183.02953	1.0
184.07645	0.5
184.11250	0.8
186.12761	0.9
187.14885	0.8
189.12721	1.8
191.14311	0.5
193.12227	1.8
197.08426	0.6
198.09171	1.7
199.11172	1.0
200.09262	1.0
201.05475	2.1
201.10297	1.0
207.13808	1.1
211.12308	1.8
212.10632	3.4
213.13803	0.6
214.12376	3.3
217.12175	4.2
221.15271	0.7
224.23766	0.6
225.14761	0.9
228.08789	0.8
229.04881	4.0
229.09590	0.8
229.13246	1.5
230.11774	1.8
232.13326	3.1
235.13252	3.1
239.03397	0.5
239.11693	1.3
240.10201	1.4
242.11909	2.7
243.11276	2.3
249.14787	1.4
253.14308	2.5
256.08200	1.1
257.04474	1.5
257.09149	1.7
257.12836	10.4
257.15161	0.5
257.18896	1.1
257.22513	0.8
259.09689	0.6
259.12112	0.9
260.12833	3.4
267.15860	2.6
268.09726	0.9
272.11502	11.6
274.09415	6.7
275.10150	1.8
275.13861	5.4
285.03766	0.6
285.12271	16.2
285.17020	1.7
285.22003	1.1
286.10654	1.2
303.04965	42.5
303.13327	100.0
303.22974	12.0
304.05316	3.5
304.13684	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	303.1336
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	0.2
56.05008	0.3
65.03925	0.6
67.05509	0.5
68.99776	0.5
69.03400	0.2
69.07059	1.4
70.06580	0.5
70.77579	0.3
70.77943	0.5
71.04986	0.3
72.08124	0.2
79.05466	0.8
81.07036	0.5
82.06561	0.6
84.08127	0.4
86.09672	0.6
89.03907	0.5
91.05447	0.6
92.04982	0.8
93.07031	0.4
94.06544	1.6
95.04949	0.6
95.08611	0.2
95.77433	0.2
96.04455	0.4
96.08097	0.5
97.05293	0.2
105.07021	0.2
106.06537	1.4
107.04909	0.6
107.07290	0.6
107.08560	0.2
108.08061	0.2
109.06495	0.4
109.10162	0.2
110.06020	4.9
112.07559	0.8
116.04988	1.0
116.30506	0.2
117.05724	0.3
120.04446	10.1
120.08026	0.3
120.50762	0.2
121.02866	0.5
121.05267	0.3
121.10107	0.3
122.05998	3.0
124.07576	3.9
129.06999	0.3
133.10110	0.3
134.05997	2.7
135.04369	0.5
136.07527	0.3
137.02327	1.2
137.05942	0.8
138.05460	0.4
140.07037	7.2
141.07822	5.7
142.08609	16.4
143.08896	0.2
144.04422	0.9
153.01817	1.4
154.08611	1.8
162.05470	100.0
163.03928	0.3
163.05846	2.7
164.07076	1.2
165.01785	0.7
183.02870	0.3
198.09177	0.3
201.05482	0.6
216.06546	0.3
216.10153	1.5
217.13348	0.6
226.08524	0.2
229.04893	1.2
230.08113	0.4
234.98918	0.3
240.10161	0.4
243.11317	1.1
244.09691	1.0
247.06099	0.2
257.04431	1.1
258.11221	3.1
261.12308	6.5
268.09631	0.3
279.13339	3.4
285.03824	0.3
285.12308	2.3
286.10666	2.9
303.02063	0.3
303.04938	15.5
303.13318	18.0
304.05350	1.1
304.13669	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0833
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96553	9.5
57.03417	12.0
59.02107	6.5
61.02910	27.8
63.94897	5.3
65.93406	6.1
69.03414	18.9
69.51566	36.3
70.06568	17.6
72.08139	19.5
73.02911	11.0
73.56696	5.8
81.03393	7.5
81.04536	18.4
82.04900	6.5
84.08141	12.0
85.02898	44.0
94.93006	15.3
95.28479	6.5
97.02876	18.5
98.97562	14.5
112.89600	15.4
116.98586	10.6
119.01840	16.5
122.07103	9.1
123.07508	7.8
127.03924	23.8
129.10197	12.0
139.91483	6.6
140.08141	28.4
141.08519	21.8
145.04918	14.5
183.58955	5.9
191.03928	8.0
193.00084	6.2
202.41936	5.7
204.02849	17.3
211.78282	5.5
213.03380	27.1
218.92641	5.8
219.01718	6.9
221.46326	5.9
225.32919	6.2
230.98192	7.8
235.99281	5.8
294.05890	7.1
303.07892	100.0
303.13745	41.1
303.93671	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	303.1223
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.8
55.01863	0.7
55.05493	1.4
57.03412	0.4
64.47866	0.3
65.03920	0.4
67.05492	3.0
68.99782	0.8
69.03412	1.3
69.07066	1.5
70.06574	0.8
71.04968	0.5
71.62146	0.5
72.08156	0.4
76.38644	0.3
79.05479	2.2
81.03391	1.4
81.07049	4.4
83.04982	0.5
83.08579	0.7
84.04510	0.5
84.08136	0.9
85.02901	0.4
85.06543	0.4
86.09679	0.5
87.04499	0.3
91.05454	2.2
93.07030	3.1
94.04151	2.3
94.06539	0.7
95.04955	3.9
95.08598	3.3
96.08092	0.4
97.06532	0.5
98.06013	0.4
99.79777	0.3
103.05435	0.4
105.07021	2.2
107.04945	1.3
107.08572	2.6
109.02865	0.4
109.06496	1.1
109.10144	2.8
110.06035	0.5
110.07105	0.4
111.00800	1.2
111.04452	0.4
113.41118	0.4
116.98601	0.3
117.07024	0.8
119.04955	0.6
119.08543	1.7
120.08113	0.5
121.02845	0.9
121.06494	1.2
121.10134	2.4
122.03629	7.1
122.05998	3.0
123.04395	0.5
123.08062	0.7
123.11671	1.3
124.07588	4.1
125.08348	1.8
125.09555	0.3
126.09129	1.3
129.10287	0.4
131.08548	1.0
133.02867	0.4
133.10080	1.9
135.08023	1.0
135.11664	0.9
137.02385	3.6
137.05954	100.0
137.09563	1.2
138.06311	2.2
139.11230	0.5
143.08516	0.6
145.06477	0.5
145.10117	1.8
147.04396	0.6
147.11655	1.3
149.06017	0.7
149.09576	0.7
150.05493	1.1
151.07520	0.5
153.01794	4.3
153.06969	0.9
157.10098	0.7
159.11670	1.1
159.78197	0.3
161.04672	0.7
161.05908	0.7
161.09555	0.6
161.13202	0.4
162.05463	1.0
163.03790	0.4
163.11221	0.5
163.14697	0.5
165.01793	1.5
165.09061	0.9
165.12744	0.6
166.02649	0.4
169.10150	0.5
171.11641	0.7
173.05962	0.7
173.09532	0.5
173.13199	0.5
175.11261	0.3
178.04964	8.1
178.06474	0.6
179.07037	0.5
181.06476	1.1
183.02850	1.0
183.04355	0.5
185.13248	0.5
189.16411	0.5
197.13271	0.4
198.06749	0.3
199.14859	0.5
201.05463	1.6
211.14900	0.6
212.10704	0.4
213.09137	0.6
215.17896	0.4
219.06270	0.3
228.09073	0.4
229.04938	4.2
229.09644	0.3
230.05385	0.6
241.08612	0.3
243.11160	1.0
247.06154	0.4
253.08630	0.6
257.04474	2.5
257.06915	0.4
257.12961	0.5
257.18884	0.7
258.08942	0.4
273.11197	0.8
285.03827	1.1
285.09317	0.4
285.12280	2.2
285.18774	0.6
285.21964	0.9
303.04944	49.4
303.12936	4.4
303.19577	1.2
303.23035	6.1
304.05334	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	303.0495
Annotation	Quercetin
Peak:m/z	Relative Intensity
53.03925	0.2
54.55228	0.1
55.01854	0.3
55.05493	0.2
56.04999	0.2
56.96541	0.1
65.03929	0.5
66.07990	0.1
67.01860	0.2
67.05491	0.8
68.99776	1.7
69.03403	0.3
69.07040	0.4
70.06578	0.2
70.61385	0.1
70.61730	0.4
71.04968	0.2
79.05462	0.4
81.03388	0.6
81.07043	0.6
83.04932	0.2
84.04494	0.2
84.08125	0.3
85.02858	0.1
85.06505	0.1
86.09669	0.3
91.05453	0.5
93.03403	0.6
93.07032	0.7
95.04954	1.2
95.08583	0.6
97.02850	0.2
97.06487	0.2
102.05521	0.2
103.05455	0.2
104.05323	0.2
105.03371	0.2
105.06999	0.6
107.01342	0.1
107.04945	0.3
107.08553	0.5
109.02845	0.9
109.06513	0.3
109.10151	0.5
110.03673	0.1
111.00794	1.5
111.04426	0.2
115.05446	0.2
117.06989	0.4
119.04937	0.1
119.08545	0.4
120.08072	0.2
121.02844	1.8
121.06487	0.3
121.10101	0.4
122.06018	0.2
123.04394	0.5
123.11662	0.2
124.07606	0.1
127.03906	0.5
129.06943	0.3
131.04913	0.5
131.08524	0.1
133.06407	0.1
133.10100	0.3
135.04395	0.4
135.08020	0.1
135.11685	0.3
137.02315	6.8
137.03308	0.3
137.05931	0.9
137.09593	0.2
139.03847	0.2
139.05473	0.1
143.08517	0.1
145.02762	0.2
145.06459	0.9
145.10106	0.3
146.06067	0.1
147.11668	0.1
149.02309	0.9
149.05917	0.1
149.09593	0.2
151.03883	0.1
153.01799	9.3
153.06932	0.1
154.02180	0.1
155.04895	0.8
155.08492	0.1
157.06432	0.1
157.10074	0.1
159.04367	0.2
159.07945	0.1
159.11609	0.2
161.05957	0.7
163.03891	1.2
163.07494	0.1
163.11243	0.1
164.07143	0.2
165.01813	3.7
165.06915	0.1
165.09065	0.2
166.02615	0.5
171.02858	0.2
173.05952	1.2
177.05437	0.1
179.03377	0.3
181.06508	0.1
183.02852	1.5
183.04405	0.7
187.03902	0.8
189.16374	0.1
191.03325	0.3
191.06981	0.2
195.02888	0.3
198.09073	0.1
201.05431	4.2
202.05670	0.1
205.04887	0.4
207.02827	0.3
211.03923	0.3
213.05394	0.2
215.03212	0.1
219.02908	0.3
219.06516	0.4
228.04158	0.4
229.04916	8.2
230.05257	0.4
232.03719	0.2
233.04663	0.1
239.03329	0.4
241.04684	0.1
243.10243	0.1
246.05225	0.1
247.05994	1.1
257.04401	4.8
257.12772	0.1
258.05075	0.2
261.03784	0.1
271.09674	0.4
274.04721	1.4
275.05417	0.6
285.03867	2.5
285.12244	0.4
285.22107	0.2
303.04929	100.0
303.22806	0.8
304.05261	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	303.0492
Annotation	Quercetin
Peak:m/z	Relative Intensity
50.30520	0.1
53.03938	0.1
55.01852	0.3
65.03922	0.3
67.01860	0.2
67.05492	0.2
68.99773	1.3
69.03416	0.1
71.07672	0.3
81.03392	0.3
91.05447	0.2
93.03394	0.7
95.04939	0.4
109.02850	0.9
110.03667	0.1
111.00787	1.6
111.04452	0.1
112.26955	0.1
113.94072	0.1
117.07012	0.2
121.02850	1.6
123.04420	0.6
127.03898	0.3
128.06157	0.1
129.07002	0.1
131.04898	0.2
135.04375	0.4
137.02321	5.8
137.03368	0.3
145.02765	0.1
145.06454	0.4
149.02319	0.7
153.01802	7.4
154.02116	0.1
155.04880	0.5
157.06404	0.2
159.04382	0.2
161.05956	0.3
163.03874	1.1
165.01816	2.6
166.02539	0.6
171.02718	0.1
173.05951	0.9
177.01715	0.1
179.03371	0.3
183.02850	1.5
183.04407	0.5
187.03851	0.6
191.03275	0.2
191.07106	0.1
195.02849	0.5
201.05440	3.2
202.05898	0.1
205.04933	0.4
207.02832	0.2
211.03891	0.3
213.05473	0.3
215.03366	0.2
217.04977	0.1
219.06451	0.5
228.04230	0.5
229.04918	7.2
230.05304	0.3
232.03700	0.1
239.03412	0.3
245.04433	0.2
247.06006	1.0
257.01730	0.3
257.04398	4.2
258.04916	0.2
271.58813	0.1
274.04651	1.2
275.05414	0.3
285.03915	1.9
302.04086	0.1
303.04938	100.0
304.05292	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0407
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42368	0.2
56.07788	0.2
56.96549	0.3
65.08453	0.2
69.47694	1.8
70.06549	0.3
74.67725	0.2
82.99861	0.3
84.01896	0.2
84.08121	0.4
87.59438	0.2
93.18503	0.2
98.20730	0.3
98.97562	3.2
99.97884	0.3
101.00862	1.0
116.98592	3.1
117.98917	0.3
119.01896	5.3
120.01888	0.2
130.49838	0.2
134.99655	1.8
137.02924	1.7
153.00679	0.3
158.99805	0.6
177.00928	9.4
178.01010	0.9
179.00725	0.6
182.99908	0.3
193.04131	0.3
201.00919	0.6
217.04053	2.0
218.03943	0.3
219.01967	19.1
220.02115	2.2
221.01782	1.4
225.00783	2.2
234.99625	0.2
242.99394	0.3
243.01917	6.4
244.02032	0.7
244.52063	0.2
259.00079	0.2
260.04410	0.3
261.03006	100.0
262.00043	0.7
262.03143	11.7
263.02945	1.2
273.02945	0.2
277.00687	0.3
279.00589	2.2
279.05936	0.3
279.98413	1.0
280.00894	0.9
281.00217	0.2
284.04578	3.4
284.99786	1.6
285.04724	0.4
292.37799	0.2
301.00858	0.3
302.97256	0.2
303.00772	3.4
303.04382	2.5
304.05148	0.2
320.98126	0.4
321.01953	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.2108
Annotation	Phormidinine B
Peak:m/z	Relative Intensity
55.01851	1.0
55.05496	2.9
57.06783	0.7
57.07064	12.4
67.05492	3.4
69.03416	0.8
69.07053	3.2
69.79797	3.0
69.87978	0.4
69.96462	0.5
70.06571	0.6
79.05490	2.3
79.09963	0.4
81.07043	8.6
83.08595	1.4
83.98534	0.4
85.02909	1.1
88.07629	0.6
91.05463	4.2
93.07018	1.9
94.06516	0.9
95.04938	0.6
95.08572	1.9
98.21563	0.6
105.07025	2.8
106.06510	1.5
107.04922	1.7
107.08588	1.3
109.06500	0.6
109.10106	1.2
115.05414	1.0
117.05791	0.5
117.07000	2.3
118.06546	3.0
119.04940	0.5
119.08567	1.6
120.08088	7.7
121.08880	1.0
121.10107	2.0
122.05981	1.5
123.08056	0.8
123.11701	3.9
127.07578	0.5
127.11177	1.9
128.06184	0.5
129.06979	0.8
130.06497	1.2
131.08536	1.5
132.08070	4.1
134.05954	0.9
134.09634	7.0
141.06970	0.8
142.07761	0.5
143.07248	0.8
144.08095	2.2
145.08887	0.6
146.09668	2.4
147.06795	0.6
147.11658	5.4
148.07562	0.7
156.08046	0.7
157.08871	1.1
158.09596	2.0
160.07533	2.6
160.11205	1.1
161.08354	1.7
162.09088	1.1
165.12726	2.0
168.08043	0.7
170.09702	0.8
171.10359	0.7
174.09152	0.9
175.09892	0.5
176.10689	4.9
179.09384	3.5
183.13742	4.3
185.08278	2.8
186.09131	3.3
197.06779	0.9
198.09064	1.0
199.09830	1.1
200.10579	1.1
203.09410	3.4
204.10228	2.8
206.73668	0.5
212.10712	0.8
216.10187	3.1
217.10837	0.9
230.11743	6.5
231.12531	3.3
232.13118	0.6
232.20595	0.5
242.19000	2.3
243.17415	1.5
256.20605	1.0
257.58823	0.5
260.20056	9.3
284.20016	10.6
295.00958	0.5
302.21091	100.0
302.28036	13.7
303.04910	0.7
303.11472	1.0
303.21362	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	302.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	5.4
56.05038	0.9
56.43125	0.6
60.04525	1.5
69.03429	0.8
69.07069	1.5
70.06580	10.2
70.14238	1.2
70.14629	1.8
71.04983	0.8
72.08143	100.0
73.08498	0.6
74.06086	0.9
78.47953	0.6
79.05493	0.9
81.03432	0.6
81.07055	1.2
84.04482	2.0
84.08131	5.8
85.02885	0.9
86.09691	85.8
87.10006	1.5
88.03981	1.2
91.05470	1.7
93.07040	1.2
94.40067	0.6
95.04967	0.8
95.08591	0.9
98.20756	0.9
98.97572	0.7
100.07613	1.5
103.05471	0.8
107.04931	0.7
110.07172	1.1
114.09208	0.7
116.07124	0.7
118.08647	2.6
118.40886	0.6
119.08485	0.7
120.08134	1.0
129.10191	4.1
130.06485	1.7
132.10173	8.6
134.06004	0.7
135.08110	0.6
136.07471	0.8
137.05920	1.9
139.05664	0.6
143.11772	62.8
144.12137	0.7
150.12755	2.1
151.92458	0.6
157.13342	38.7
158.13676	0.8
171.11264	41.2
172.11562	0.9
182.08133	0.7
185.12819	26.9
189.12231	0.9
196.13870	0.6
201.12274	1.2
203.13901	3.6
231.16983	5.6
284.11267	0.9
285.12158	1.0
302.07126	1.8
302.10065	1.1
302.17410	2.6
302.20642	1.0
303.04749	1.1
303.08270	0.9
303.13217	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.2067
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93390	0.5
55.05486	1.0
65.87040	0.4
67.05489	1.1
69.07053	5.8
70.06241	0.6
70.06584	5.2
71.04981	1.0
71.57290	1.0
71.57672	0.5
72.08139	1.1
74.06080	0.6
75.05590	14.6
79.05488	1.1
81.07042	1.2
83.04973	0.6
84.04484	0.7
84.08146	2.6
85.02892	0.7
86.09691	100.0
86.44149	0.4
87.05595	0.5
87.10038	1.8
91.05479	1.2
93.07043	0.9
95.04964	1.3
95.08561	0.8
97.06507	0.5
99.04440	1.1
105.07004	0.6
106.06550	0.5
107.04927	4.6
107.08547	0.8
109.06520	0.8
110.06020	0.7
116.07050	0.6
119.08605	0.5
120.04430	1.8
121.06488	0.4
121.10083	0.8
122.06010	0.7
124.07545	1.0
129.10219	0.9
131.29720	0.5
132.10182	12.4
134.05946	0.6
134.64545	0.5
136.07529	1.0
137.05980	2.3
140.07022	1.9
141.07834	1.7
142.08612	3.9
143.11771	79.9
144.06587	0.6
144.12082	1.7
145.06458	0.8
145.10086	0.6
153.01727	0.8
162.05475	22.3
164.07047	0.8
171.11256	26.5
189.12373	1.3
196.09973	0.5
229.04945	0.9
239.11703	0.5
243.11105	0.9
251.52609	0.5
256.16995	4.0
258.11166	0.6
261.12234	2.0
267.11182	2.0
279.13297	0.9
285.12219	4.6
302.17407	1.8
302.20645	0.7
303.04947	5.9
303.13345	6.3
303.16861	0.7
308.81381	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	0.6
55.05515	0.5
67.05492	0.9
69.03425	0.7
69.07048	1.2
69.55200	3.4
70.06590	1.0
72.08159	0.4
79.05475	0.9
80.04921	0.4
80.93556	0.4
81.07051	0.9
84.08110	0.4
85.02908	1.3
85.06531	0.5
86.09692	100.0
87.10018	0.9
91.05466	2.6
93.07029	1.2
95.08591	0.8
97.02866	1.1
97.06474	0.5
99.84672	0.4
105.07005	0.6
107.04937	0.9
107.08595	1.4
109.02900	0.6
121.10139	0.5
122.30975	0.4
127.03909	0.5
128.06227	1.7
129.06985	1.1
129.10237	0.7
132.10187	13.7
135.11739	0.5
137.02312	0.8
137.05966	1.4
143.08669	1.9
143.11774	74.9
144.12076	1.3
145.04994	0.5
145.06432	0.5
153.01750	0.5
153.06938	0.7
163.11188	1.0
169.06395	0.5
169.08578	3.4
171.08093	1.5
171.11259	27.6
181.06465	1.3
181.12167	0.7
190.87056	0.4
191.10573	0.9
197.05997	0.6
199.07462	3.0
201.05368	0.7
217.04898	1.3
227.12796	3.1
229.04956	1.0
243.69414	0.4
245.18517	0.7
256.05954	0.9
257.04349	0.6
274.04529	0.6
282.09302	2.1
285.12326	0.5
291.10144	0.5
302.04471	0.7
302.12100	1.6
302.16263	0.5
302.20782	0.5
302.60703	0.6
303.04987	10.7
303.08380	0.4
303.13293	0.6
304.33347	0.4
305.97870	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.2067
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93390	0.5
55.05486	1.0
65.87040	0.4
67.05489	1.1
69.07053	5.8
70.06241	0.6
70.06584	5.2
71.04981	1.0
71.57290	1.0
71.57672	0.5
72.08139	1.1
74.06080	0.6
75.05590	14.6
79.05488	1.1
81.07042	1.2
83.04973	0.6
84.04484	0.7
84.08146	2.6
85.02892	0.7
86.09691	100.0
86.44149	0.4
87.05595	0.5
87.10038	1.8
91.05479	1.2
93.07043	0.9
95.04964	1.3
95.08561	0.8
97.06507	0.5
99.04440	1.1
105.07004	0.6
106.06550	0.5
107.04927	4.6
107.08547	0.8
109.06520	0.8
110.06020	0.7
116.07050	0.6
119.08605	0.5
120.04430	1.8
121.06488	0.4
121.10083	0.8
122.06010	0.7
124.07545	1.0
129.10219	0.9
131.29720	0.5
132.10182	12.4
134.05946	0.6
134.64545	0.5
136.07529	1.0
137.05980	2.3
140.07022	1.9
141.07834	1.7
142.08612	3.9
143.11771	79.9
144.06587	0.6
144.12082	1.7
145.06458	0.8
145.10086	0.6
153.01727	0.8
162.05475	22.3
164.07047	0.8
171.11256	26.5
189.12373	1.3
196.09973	0.5
229.04945	0.9
239.11703	0.5
243.11105	0.9
251.52609	0.5
256.16995	4.0
258.11166	0.6
261.12234	2.0
267.11182	2.0
279.13297	0.9
285.12219	4.6
302.17407	1.8
302.20645	0.7
303.04947	5.9
303.13345	6.3
303.16861	0.7
308.81381	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.1495
Annotation	H-Pro-Trp-OH
Peak:m/z	Relative Intensity
54.93943	0.4
55.01855	1.5
55.05499	0.9
67.05501	0.5
68.05004	0.8
69.03399	0.7
69.07042	1.3
69.57266	0.8
69.57676	3.4
70.06584	37.6
72.08134	1.7
79.05454	0.8
81.07035	1.0
84.04495	0.8
84.08139	3.7
85.02879	1.4
86.09699	6.4
88.03970	1.0
91.05462	0.7
95.04925	0.8
97.02885	0.5
97.71752	0.5
98.06047	0.7
98.21526	0.9
105.06982	0.5
107.04933	0.7
109.06487	0.5
110.06023	0.7
110.07162	1.1
114.05517	21.7
115.05381	2.3
116.07076	20.4
117.05756	2.2
118.06526	1.2
119.08614	0.5
120.08059	0.8
122.06014	0.6
125.07095	5.6
129.10225	1.9
130.06511	17.5
130.07484	1.0
132.08073	47.6
132.95831	0.5
133.08414	1.5
137.05971	1.4
140.07059	1.1
142.06506	4.8
142.08612	0.9
143.07262	0.7
144.08064	14.2
145.08476	0.6
150.12769	0.5
152.07024	0.5
159.09158	100.0
160.07576	4.8
160.09535	1.7
162.05463	3.7
170.05994	25.1
171.06339	0.9
171.07648	4.1
172.07553	4.5
180.06517	1.3
182.08244	0.5
183.83487	0.4
188.07053	0.9
206.04446	1.2
234.98885	0.5
239.11771	1.5
243.11359	0.7
256.09534	0.8
257.12772	4.1
265.59570	0.5
267.11420	0.8
285.12302	61.8
286.12686	2.3
302.11722	0.8
302.14899	10.6
302.17892	0.9
303.04929	2.5
303.13242	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.2157
Annotation	CHEBI:68875
Peak:m/z	Relative Intensity
55.01848	3.2
55.05496	3.2
55.89771	0.9
57.07056	2.3
63.00111	1.0
63.59209	0.9
65.03936	0.8
67.05485	2.7
69.07058	2.0
74.02084	0.9
75.92567	0.9
79.05495	4.4
81.07014	2.4
91.04948	1.4
91.05469	13.1
93.07014	1.8
95.04910	1.0
95.08540	1.0
96.37058	1.0
98.21523	2.1
101.70854	1.0
103.05454	1.4
105.03407	1.5
105.07015	7.9
107.04950	1.8
115.05435	3.6
117.06983	6.1
119.08558	4.7
128.06229	3.9
129.06975	6.6
131.08542	3.3
133.06476	3.9
133.10083	1.0
142.07806	1.5
143.08498	2.1
145.06392	1.2
147.07994	4.6
149.05931	1.1
149.99039	0.9
157.06467	3.0
161.05981	8.2
171.08005	1.0
175.07527	13.5
182.70166	1.0
185.09563	1.3
188.08295	3.0
229.59750	1.3
283.20593	1.2
301.21570	100.0
302.21869	7.2
302.30609	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.2156
Annotation	SCHEMBL18714031
Peak:m/z	Relative Intensity
53.61169	1.2
55.05499	12.5
57.07059	4.9
58.07391	1.5
62.05781	2.1
62.06080	32.5
63.06398	4.4
65.03918	1.7
67.05497	17.3
69.03402	1.4
69.07059	9.7
71.08626	2.8
71.34666	1.5
71.34987	2.1
79.05481	9.1
81.07049	18.0
83.08592	5.3
83.65009	1.4
91.05450	11.6
93.07029	20.3
93.68556	1.2
94.90569	1.2
95.04950	1.6
95.08594	100.0
95.82244	1.2
96.08923	3.3
96.93147	1.5
97.10162	3.8
99.04398	1.5
105.07014	19.4
107.04932	4.9
107.08579	28.3
109.06460	3.2
109.10143	18.5
111.04412	4.7
113.05990	1.2
117.07039	3.0
119.08559	23.4
119.28236	1.2
121.06483	2.1
121.10130	21.8
123.11709	9.4
123.94895	1.3
124.47491	1.3
125.05988	9.8
129.06877	2.0
131.08562	7.9
133.10118	20.6
134.98401	1.3
135.08115	1.6
135.11664	11.9
137.05948	6.0
137.13321	1.3
138.06725	1.4
143.08543	4.7
145.10135	9.8
147.11684	8.7
149.05933	1.5
149.13210	5.4
156.09370	2.3
157.10083	7.1
159.11671	12.8
161.01053	1.4
161.09615	5.2
161.13243	6.2
169.10098	3.1
171.11661	6.2
173.09653	2.2
173.13252	6.9
175.11192	2.5
175.14798	2.9
177.12650	2.1
179.10629	7.4
185.13208	3.9
187.11147	6.7
187.14799	4.8
189.09088	1.8
191.10637	1.6
197.13261	2.5
199.11157	2.3
199.14775	5.6
201.16386	3.6
203.17825	7.5
205.12251	5.7
207.13853	1.7
211.31018	1.4
213.12723	2.6
217.12233	3.3
219.13815	3.0
227.14255	2.0
231.13774	9.1
239.17972	2.8
241.19472	2.6
245.15292	4.0
255.21118	8.7
259.17035	1.8
265.19489	2.4
283.20560	7.9
283.28015	2.2
284.26569	4.9
301.21597	67.2
301.29059	13.0
302.21988	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1791
Annotation	Unknow
Peak:m/z	Relative Intensity
55.15454	5.8
56.96545	11.0
57.07064	6.5
67.05473	17.4
69.07050	16.3
69.31440	55.8
69.31857	14.3
70.63526	5.4
72.93775	13.6
77.35452	5.8
79.05478	9.1
81.03402	13.5
81.06581	6.4
81.07044	100.0
93.07017	9.1
95.08569	19.3
98.20777	12.2
105.06972	9.6
107.08539	8.9
111.99159	6.1
119.04906	17.8
119.08514	7.3
121.10112	9.5
125.09608	9.2
137.13231	46.5
145.10057	7.5
146.44304	7.1
147.04385	10.3
149.13147	6.2
150.35919	6.8
152.13271	5.8
152.96298	11.5
165.05475	6.6
166.86967	5.5
166.97760	7.4
172.95251	8.5
188.92418	15.6
190.96219	7.2
191.94835	6.2
192.99390	8.2
199.14673	6.6
216.01111	9.2
244.95076	12.6
246.99020	7.3
260.00116	13.1
261.11337	6.5
271.08685	7.0
278.01105	27.5
289.65790	7.6
301.02765	11.6
301.13956	32.3
301.21738	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	301.0337
Annotation	Isodemethylwedelolactone
Peak:m/z	Relative Intensity
52.58897	0.4
55.01852	0.7
57.07040	0.4
59.69639	0.4
65.03925	0.7
67.01836	1.2
67.05465	0.7
68.99430	0.5
68.99782	8.3
69.82031	1.8
69.82445	0.6
70.06561	0.7
79.05448	1.1
81.03380	0.4
81.07022	0.8
83.04958	0.7
84.08147	0.5
86.09665	1.1
91.05440	1.4
93.03351	0.6
93.07004	1.4
95.08576	0.8
101.06031	0.5
103.05426	1.1
105.03357	1.0
105.07027	2.2
107.04930	0.8
107.08599	0.5
108.60404	0.4
109.02839	1.5
111.00777	0.5
111.04416	0.7
115.05442	2.3
117.07008	0.4
121.02803	0.6
121.06485	3.2
121.10119	0.5
133.02769	0.5
133.06425	1.7
133.10075	0.4
135.11649	0.4
137.02312	1.8
143.04875	0.7
147.04376	3.8
149.05966	0.6
153.01788	2.6
161.02330	0.9
161.05942	4.1
163.11096	0.4
171.04349	2.8
175.03877	1.7
177.05428	0.5
179.03333	1.1
189.05444	8.9
191.10654	0.4
193.01312	0.7
199.03897	2.1
201.05411	0.4
203.03377	3.0
209.11719	0.6
216.04066	0.6
217.04930	43.2
218.05273	0.8
227.03337	1.9
229.04977	0.5
231.02884	1.4
245.04419	39.4
255.02847	1.6
255.11311	0.4
268.52502	0.5
273.03894	49.6
274.04352	1.5
277.53036	0.7
283.02325	0.4
283.27264	0.4
301.03384	100.0
302.03769	2.7
303.04962	1.1
304.05417	0.7
317.09631	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.164
Annotation	Strobilol C
Peak:m/z	Relative Intensity
53.03917	4.8
55.01861	17.4
55.05502	19.6
56.28530	1.6
57.03180	2.5
57.03426	27.5
57.07061	1.8
65.03919	3.8
67.05491	57.2
68.99779	1.7
69.07065	13.2
70.06568	5.6
71.04959	5.8
71.57641	2.9
72.08126	2.1
73.02869	2.7
79.05480	58.7
79.05946	2.7
81.03413	8.9
81.06575	2.6
81.07040	42.4
82.06572	2.8
83.04961	30.1
83.08600	9.4
84.04527	1.9
84.08124	4.3
85.02877	5.1
85.06518	5.4
86.09686	13.4
88.44301	1.6
91.05457	32.2
93.07027	57.0
95.04939	17.6
95.08588	23.8
97.02848	2.7
97.06524	15.0
99.04425	7.2
100.07619	1.6
100.11213	7.3
101.02384	2.1
101.11520	2.4
103.05409	1.9
105.07018	15.1
106.27615	1.6
107.04937	41.5
107.08581	27.5
109.02848	1.6
109.06538	8.9
109.10107	6.2
110.06044	2.4
110.07121	2.3
111.04428	34.5
111.08075	9.2
117.06984	16.4
119.08565	17.9
121.06447	7.7
121.10114	49.9
123.04386	3.8
123.08060	6.0
125.05938	5.8
126.09094	2.1
128.06119	2.0
129.05428	3.3
129.06949	6.2
129.10184	3.3
130.07767	2.4
131.04895	4.4
131.08543	12.7
132.10216	2.2
133.10101	4.7
134.99495	1.6
135.08022	6.9
135.11658	39.2
137.05890	2.9
137.09534	1.6
141.61687	1.5
143.08521	3.8
145.06433	8.2
145.10097	46.3
147.07976	5.3
147.11646	3.8
149.09612	9.0
153.12723	13.9
155.08525	10.1
157.10063	3.2
159.11618	1.9
161.05956	2.1
161.09578	3.0
163.11145	56.1
173.09586	32.4
173.13225	2.6
181.12196	28.3
182.15367	3.9
183.15746	3.4
191.10649	40.1
195.17053	1.5
204.66571	1.9
205.16513	3.7
209.11649	20.5
210.14896	2.1
211.15091	2.1
217.04909	4.4
219.16286	8.7
219.66570	2.2
227.12721	26.5
227.17484	2.4
245.04402	3.9
255.11195	1.9
257.25888	1.6
265.14258	6.6
273.03873	5.2
280.03925	1.6
282.69434	3.4
283.15298	23.4
284.15552	1.9
301.03412	14.6
301.11523	8.4
301.16370	100.0
301.21646	6.1
302.03876	2.8
302.16763	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	300.2527
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	6.8
56.05019	5.3
56.05843	0.5
57.07067	4.6
58.06588	10.1
63.05321	0.4
67.05493	2.0
68.05016	0.9
69.07056	9.1
70.05480	1.8
70.06577	12.7
70.07406	0.9
71.04983	0.6
71.08624	1.9
72.08137	2.5
74.06071	1.0
75.91420	0.5
79.05490	0.6
81.07053	1.7
83.08598	5.9
84.04485	0.8
84.08121	3.5
84.08923	0.5
85.10193	1.1
86.02429	0.5
86.09695	2.6
87.04455	0.6
87.05568	0.9
88.03985	1.6
88.07627	1.3
95.08611	2.1
97.10157	3.0
98.09669	4.6
98.10552	0.5
98.21449	0.5
100.07589	0.6
102.05530	1.8
106.08678	0.5
109.10137	0.8
111.11697	0.7
112.11234	2.8
114.09172	0.4
116.35264	0.5
122.06057	0.8
128.07144	0.4
130.06439	0.5
132.10191	6.4
133.10114	0.5
146.11737	7.9
155.14310	0.7
172.07521	0.5
184.20558	0.8
185.20966	1.1
186.09131	0.8
194.18996	1.5
195.19357	2.3
196.20546	0.6
210.22125	37.2
211.22501	0.6
212.23730	1.1
217.81395	0.6
238.25369	0.8
240.19540	1.5
241.19885	2.1
254.20897	1.0
254.24939	1.3
255.21475	1.1
256.22665	100.0
257.22894	1.6
277.01825	0.6
282.20624	1.2
283.11911	0.5
283.20874	2.4
295.02438	0.9
300.19507	2.5
300.23990	8.2
300.28894	75.7
301.29251	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.2165
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89355	1.0
53.03941	1.3
55.01850	3.0
55.05503	13.3
56.05024	1.6
57.03412	0.9
57.07060	2.8
58.06590	2.3
60.19178	0.9
66.31834	1.1
67.05483	8.5
68.05014	1.4
69.03415	1.2
69.07059	87.5
70.06573	3.4
70.07399	1.6
71.62337	1.3
72.07790	1.6
72.08148	19.2
73.06540	12.1
79.05485	20.5
81.03412	2.3
81.07056	8.7
83.04942	1.0
83.08598	4.6
84.04494	2.5
84.08134	4.9
86.06047	1.8
86.09689	4.7
87.04453	2.7
87.54844	1.0
91.05460	7.3
91.25031	1.1
93.07036	8.0
95.04967	1.5
95.08591	7.9
97.06522	23.0
97.10149	2.1
98.06034	8.4
105.07012	6.9
107.04907	1.3
107.08584	42.3
109.06490	2.0
109.10159	1.8
110.07143	2.4
111.04430	1.2
114.05528	1.7
115.07558	6.7
117.07005	2.3
119.08538	5.5
119.45677	1.0
121.10120	1.9
123.11652	1.8
125.05961	4.8
130.04967	1.9
131.08549	6.1
133.06438	1.2
133.10147	5.2
135.08092	2.3
135.11664	2.3
136.06177	2.0
138.99284	0.9
139.03862	2.6
142.04967	1.4
143.07022	63.0
144.07353	1.4
145.06442	1.9
145.10089	11.0
147.11658	1.9
149.09578	6.0
150.96840	1.3
151.11192	2.0
159.11652	1.7
161.08084	40.5
161.09442	1.5
162.08557	1.1
163.11172	2.6
170.19023	1.8
171.10263	1.4
171.11671	1.0
173.13190	1.4
177.09094	1.1
185.13229	1.3
201.16386	10.0
201.26495	1.2
210.22145	50.7
211.14763	1.5
211.22629	1.1
229.15843	9.5
247.16904	33.2
248.17273	1.2
256.22702	100.0
257.23053	2.4
265.18030	7.3
275.53491	1.1
283.20700	1.3
300.19296	2.3
300.22162	2.1
300.25037	6.0
301.03198	1.6
301.10648	1.3
301.22037	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.2577
Annotation	Ricinoleic acid
Peak:m/z	Relative Intensity
50.66242	4.8
53.03954	4.5
54.56446	4.2
55.05503	68.7
55.20127	4.5
57.03413	4.9
57.07073	45.9
61.22996	5.2
61.91270	4.4
66.88643	5.0
67.05494	52.8
69.07060	100.0
71.08613	18.5
71.62742	5.5
77.44506	4.6
79.05486	22.3
81.07045	81.0
83.04951	8.7
83.08606	79.9
85.06533	10.5
85.10185	6.7
91.05463	17.1
93.07023	25.9
95.08595	78.5
97.06528	18.3
97.10153	67.3
105.07032	31.9
107.08566	36.5
109.02835	4.6
109.10149	40.7
111.11699	27.6
113.09650	6.1
118.63943	5.6
119.08549	29.8
121.10116	24.9
123.11674	13.1
125.09618	7.5
125.13258	11.4
131.08589	7.5
133.10141	28.7
135.11679	20.8
136.06184	10.3
137.09616	10.7
143.08525	5.4
145.10112	7.8
147.11711	15.1
149.13235	19.4
153.12703	5.5
155.08565	5.3
157.10081	7.2
161.13263	13.9
163.14838	14.7
165.12762	7.1
167.14333	8.1
173.13213	6.2
175.14835	13.0
181.15862	7.7
189.16386	5.7
193.15831	8.0
194.31511	5.3
230.24809	6.7
231.74712	4.8
245.22583	35.5
258.24283	10.4
263.23660	40.9
273.97818	5.8
281.24753	21.9
299.20132	32.0
299.25729	25.3
300.16095	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	300.2164
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.4
54.62322	2.2
55.01867	4.1
55.05494	20.0
57.03428	9.4
57.07071	2.2
67.05163	2.7
67.05496	34.1
69.03418	5.5
69.07058	35.4
69.91399	4.5
69.91798	10.6
70.06580	10.7
71.04985	4.4
79.05479	37.7
81.03410	15.2
81.07050	51.9
83.04954	3.0
83.08618	12.7
84.08141	4.7
85.06522	5.3
86.06057	9.7
87.04455	16.0
91.05472	22.6
93.07023	31.1
95.04955	12.8
95.08580	21.5
97.06512	10.0
97.10161	4.2
98.06043	55.6
99.08028	2.2
105.07025	20.7
107.04928	3.9
107.08577	21.1
109.06510	5.6
109.10114	10.4
111.08060	6.7
117.07033	7.0
118.15891	1.8
119.08560	18.0
121.06496	2.9
121.10114	13.6
123.08076	4.1
127.07552	5.5
128.07039	3.0
129.06982	4.5
131.08530	13.3
133.10110	14.3
135.08043	2.7
135.11676	3.4
136.06195	4.5
137.09607	11.8
141.06937	2.5
143.07043	9.7
145.08566	11.3
145.10115	12.7
146.30420	2.1
147.11674	10.3
149.09610	7.9
151.11133	2.7
153.09033	3.2
157.10130	3.8
159.11731	6.4
161.08121	4.0
161.09554	2.9
161.13223	2.2
163.11122	3.4
165.09116	4.2
169.10114	4.3
170.19040	9.4
171.11612	3.4
173.13278	4.3
175.09822	2.4
175.11198	7.0
184.26616	2.1
187.11195	2.4
187.76523	2.0
189.12772	2.5
195.10208	2.4
196.67621	2.0
199.35847	2.0
201.16336	6.5
211.14769	5.0
219.17458	3.6
229.15800	5.8
238.21591	7.6
242.21109	3.0
247.16965	9.0
256.22684	100.0
257.23099	3.2
265.18091	3.4
272.53723	2.3
300.15753	4.5
300.22299	3.6
300.25339	39.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.2324
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	15.6
56.05031	3.2
57.07064	4.0
58.02948	0.8
58.06603	3.2
59.39558	0.6
60.04516	3.2
67.05498	4.5
67.20643	0.6
68.05010	3.6
69.07061	19.9
69.43097	1.5
69.43503	4.2
69.91144	0.5
69.91573	0.5
70.02933	2.2
70.06582	4.2
71.08611	2.6
71.54406	0.5
72.04492	1.5
73.02895	2.4
74.02435	1.6
77.17741	0.5
79.05483	0.8
79.39314	0.6
81.07058	4.9
82.06566	3.0
83.06116	0.6
83.08131	0.8
83.08611	13.1
84.04491	5.0
84.08125	2.8
84.08938	0.6
85.10177	1.6
85.43666	0.5
86.02409	2.2
86.09695	1.0
87.05585	11.9
88.03988	6.1
91.05474	0.9
93.07011	1.3
95.08601	5.1
96.04472	1.4
96.08118	4.8
97.10155	8.6
98.09679	4.2
99.00810	2.1
100.03963	1.9
102.05526	3.5
107.08580	0.8
109.10156	2.8
110.06013	1.8
110.09659	1.2
111.11718	2.8
111.39606	0.6
112.11231	1.2
114.05511	4.6
116.03426	0.8
128.03409	1.0
128.07098	4.1
135.11723	0.7
142.08646	3.3
142.15846	0.6
146.11783	0.6
156.10156	1.3
182.18976	0.8
184.20596	16.6
194.19025	34.3
195.19389	0.9
196.20605	7.9
197.63727	0.6
201.16150	0.6
208.20599	2.1
209.21040	0.5
210.22168	13.7
210.24165	0.9
211.21649	1.1
212.20164	0.7
236.20099	6.3
238.21596	1.1
240.19560	24.4
241.20018	0.6
253.20055	0.7
253.22729	14.9
254.21078	10.0
255.21649	1.1
255.24319	2.7
256.22708	22.2
279.09534	0.6
282.20618	31.7
283.20953	1.0
295.02509	0.8
299.16199	2.4
299.23267	100.0
300.23877	3.3
300.28888	5.3
318.88644	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.2001
Annotation	3-Hydroxy-19-norpregna-1,3,5(10)-trien-20-one
Peak:m/z	Relative Intensity
53.97455	0.7
54.29983	0.8
55.05485	3.1
57.03421	0.8
57.07046	1.3
61.89730	0.7
66.37872	0.6
67.05496	4.3
69.03410	1.7
69.07048	4.3
69.54362	1.1
69.54763	4.2
70.06565	2.2
71.04973	1.1
72.08132	2.0
79.05482	5.0
81.03405	1.7
81.07058	5.5
83.04954	2.0
83.08611	3.6
84.04487	1.3
84.08112	1.0
85.06508	1.0
86.06060	0.9
86.09701	1.1
91.05463	20.8
93.07030	7.2
93.19914	0.6
95.04934	1.9
95.08592	6.4
97.06511	1.2
97.10146	1.0
98.06037	5.0
105.07024	12.5
107.04923	1.2
107.08582	7.1
109.06445	1.7
109.10123	2.4
110.07067	0.9
115.05434	1.8
116.06225	4.9
117.06999	2.2
119.04904	4.9
119.08563	13.5
121.06478	0.9
121.10120	6.4
123.08012	2.2
125.09605	2.6
127.04009	0.6
128.06207	1.1
129.06989	7.5
130.04984	0.8
131.08553	33.4
133.10124	3.9
135.08022	2.7
135.11646	1.5
136.06128	2.4
137.06532	0.9
137.09663	0.8
142.07710	1.4
143.08522	2.9
145.06442	0.8
145.10088	3.5
147.08006	1.1
147.11665	1.8
147.36374	0.7
149.09570	4.4
155.08543	1.3
156.09348	2.1
157.10123	5.1
159.08029	100.0
159.11650	2.6
160.08296	1.7
161.08270	0.8
161.09570	2.4
161.13338	1.2
169.10101	1.8
171.11658	5.3
173.09523	0.9
173.13300	0.9
175.11143	1.4
181.10109	1.2
182.07001	0.7
182.10910	1.1
183.11655	2.6
185.09566	1.4
187.11118	1.3
189.12720	3.9
193.10141	1.0
195.11563	0.9
197.09772	0.7
197.13190	3.5
199.11116	3.6
199.14912	0.8
201.12669	0.9
206.10866	0.9
207.11627	1.9
209.13217	1.5
211.14764	0.7
213.12811	1.0
219.10077	0.8
221.13211	1.5
223.14783	1.4
225.12677	2.9
235.14662	0.8
239.14285	1.2
241.15816	1.0
242.99931	1.6
243.13811	1.5
255.21564	1.1
256.22650	8.2
257.18924	1.3
259.06259	0.9
263.17902	3.6
281.18994	21.4
294.86823	0.7
299.06076	1.0
299.09219	1.1
299.20023	46.7
299.23175	1.8
300.25226	2.3
314.25067	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1274
Annotation	2-Phenylethyl ferulate
Peak:m/z	Relative Intensity
51.02357	0.3
53.03932	1.0
55.05501	1.3
56.05826	0.3
57.07067	0.6
67.05491	0.3
69.03409	0.4
69.07052	1.1
70.06563	0.3
70.07381	0.3
71.04982	0.2
71.08615	0.2
71.60618	0.3
71.60975	0.3
77.03909	0.4
79.05476	4.8
81.07036	0.6
83.08609	0.9
84.08924	0.4
86.06043	0.6
87.04449	0.8
87.61697	0.2
90.19545	0.2
91.05465	0.7
93.07012	0.3
95.04946	1.2
95.08600	0.3
97.10144	0.5
98.06062	0.3
103.05450	3.7
104.07093	0.8
105.07011	100.0
106.07359	0.9
107.08542	0.5
109.10150	0.3
116.68120	0.2
119.08590	0.3
129.06950	0.4
131.08528	0.2
135.11629	0.4
146.09637	0.7
177.05524	0.3
188.04698	0.2
193.19490	0.2
203.07040	0.7
235.38702	0.2
239.10625	0.8
255.06528	0.4
281.11655	0.8
281.26584	1.1
283.05969	0.5
298.27472	0.4
299.08939	1.3
299.20129	0.3
299.27704	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	299.1847
Annotation	15-keto-2,3,4,5-tetranor-PGF2alpha
Peak:m/z	Relative Intensity
50.05278	5.2
53.03928	7.7
54.61706	5.3
55.01849	12.2
55.05488	28.0
55.56570	5.6
57.03413	22.3
57.07058	12.5
67.05226	5.0
67.05493	60.8
69.03410	13.7
69.07056	100.0
70.06577	10.1
71.04971	13.9
71.63040	8.0
79.05478	73.6
81.03413	20.5
81.04547	6.5
81.07029	65.7
83.04947	17.2
83.08597	16.2
84.08121	15.6
85.02885	9.4
85.06521	10.0
86.09676	6.6
87.04426	6.6
91.05458	44.5
93.07023	73.2
95.04945	34.6
95.08592	87.4
97.06513	36.7
97.10156	10.9
105.07021	42.1
107.04919	8.6
107.08563	25.6
109.06489	17.1
109.10136	21.6
110.07098	6.3
111.11703	7.2
115.07541	13.2
117.06979	12.5
119.08560	46.5
121.06519	9.2
121.10130	41.2
123.08047	67.1
123.11630	11.0
129.06978	15.2
131.08507	21.5
133.06505	7.8
133.10100	31.8
135.11694	7.9
136.06105	31.9
137.06558	11.5
137.09581	15.3
141.09132	7.7
143.07027	57.4
143.08531	21.1
145.10086	23.1
146.05992	16.9
147.08009	19.4
147.11662	29.4
149.09602	13.3
157.10077	9.1
159.11705	13.3
161.08031	25.7
161.09441	9.1
165.09027	18.0
171.11649	20.4
175.11177	6.5
175.14766	10.5
183.11658	12.9
185.09685	8.2
189.12753	8.9
197.13129	7.1
199.14719	20.4
207.13792	17.5
217.15851	31.9
227.14145	15.0
245.15434	36.1
247.33162	5.4
263.16321	41.2
263.23865	5.9
281.17349	66.0
281.24677	14.2
282.17651	6.1
299.05704	8.3
299.09476	9.9
299.13846	17.1
299.20071	34.3
299.23077	10.4
300.09448	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	298.2736
Annotation	Spiroxamine
Peak:m/z	Relative Intensity
51.94044	0.5
53.03936	0.8
54.14230	0.5
55.05504	34.0
56.05014	0.5
56.57166	0.5
57.07067	12.5
67.05483	1.5
68.04996	0.7
69.03419	9.2
69.07059	36.7
70.06584	3.5
70.94390	1.0
70.94748	1.4
71.08623	6.2
79.05478	0.7
81.07034	1.9
83.08607	27.1
84.04494	2.0
85.10182	1.7
86.06059	20.3
87.04457	28.8
87.54380	0.6
93.07038	0.6
95.08603	0.9
97.10153	16.5
98.06051	6.1
102.05528	1.6
103.02827	0.6
104.07092	30.2
107.08593	1.4
111.11697	3.5
112.07508	0.6
125.13273	0.7
135.11697	0.8
136.06168	2.2
142.66116	0.6
179.24448	0.5
252.26868	1.7
280.26297	4.5
298.27371	100.0
299.27744	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1095
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41703	0.5
55.05490	1.4
56.02503	0.5
57.07051	1.4
67.05490	1.0
69.03416	0.7
69.07069	1.1
70.06573	2.4
70.80461	0.7
70.80791	1.1
71.08591	0.9
72.08141	1.3
79.05457	0.7
81.03411	0.9
81.07038	1.4
83.08575	0.8
84.04480	0.9
84.08121	2.1
85.02924	0.9
86.09697	2.1
91.05786	0.9
95.08578	1.6
97.02863	1.0
97.10147	0.5
101.03205	0.6
101.05997	1.0
105.07013	0.7
109.02863	1.0
109.10138	1.2
110.07117	0.9
118.74697	0.5
136.06166	11.4
137.06664	2.7
147.03497	0.5
153.42050	0.5
155.06914	0.7
191.08525	2.6
219.08072	1.5
221.05000	1.5
236.10548	1.3
240.10107	0.9
253.13295	4.5
266.99829	1.3
282.11197	1.1
283.02921	1.0
299.06265	6.0
299.10959	100.0
300.06287	0.8
300.11273	2.1
301.06064	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.2372
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26912	0.7
53.03926	0.9
55.01869	1.1
55.05506	20.2
56.05034	3.6
56.96549	1.5
57.07072	5.9
58.06596	4.7
60.04503	2.8
62.06067	2.2
67.05501	7.5
68.05016	8.4
68.65166	0.7
69.03424	1.6
69.07059	18.8
70.02574	1.0
70.02945	14.5
70.06586	3.4
70.47688	0.7
71.04977	1.2
71.08613	2.2
71.62372	1.1
73.02907	2.6
75.99623	0.7
79.05482	1.9
80.05029	0.8
81.07037	6.3
82.06576	5.7
83.08607	11.9
84.04495	2.2
84.08143	2.4
85.10172	1.3
86.06057	13.2
88.03979	23.7
88.07619	0.7
93.07021	2.4
94.06570	0.9
95.08598	7.8
96.08105	4.5
97.10157	5.2
100.03970	4.8
102.05486	1.0
107.08581	1.1
109.10160	2.5
110.06028	2.4
110.09652	1.1
111.11727	1.3
114.05556	0.9
116.03442	25.6
121.10115	0.8
128.07068	2.4
136.06178	15.6
142.08629	3.0
156.10211	0.9
182.19063	2.9
194.19048	7.5
200.20035	0.9
208.20586	15.2
209.20949	0.9
210.22145	9.9
211.22263	0.8
224.23698	1.3
226.21667	3.8
236.20123	1.5
240.23183	1.6
241.08476	0.7
247.02785	1.2
252.23207	1.4
254.21126	32.0
255.21474	0.8
257.01144	1.1
275.02197	7.4
293.03268	9.6
298.03732	0.8
298.23776	100.0
298.27170	7.4
299.23938	3.5
311.04373	4.2
316.04865	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.9907
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02938	8.3
50.38889	8.1
56.96545	11.7
71.61327	15.3
75.95909	7.9
95.26321	8.1
98.97563	100.0
116.98599	73.3
134.66705	9.8
134.99615	26.2
154.94254	10.8
156.48636	10.4
172.95256	17.3
175.97487	8.8
184.86745	9.0
214.96291	16.0
219.02000	92.6
220.55330	9.3
232.96292	11.2
235.99879	14.5
256.96585	16.0
262.99887	9.8
271.27411	10.1
274.88794	21.5
274.94629	13.0
274.97437	72.6
283.45325	12.8
292.98526	56.6
298.97772	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	298.0964
Annotation	5'-Deoxy-5'-Methylthioadenosine
Peak:m/z	Relative Intensity
50.25378	0.2
61.01141	4.7
69.03413	0.3
71.07102	0.2
71.07432	0.3
75.02684	1.9
91.19703	0.2
94.04031	0.2
97.02872	1.2
103.02142	0.4
114.75883	0.1
119.03519	0.6
136.06161	100.0
137.04601	0.3
137.06613	1.5
145.03149	1.4
156.07690	0.2
163.04237	1.7
186.68503	0.2
193.23624	0.2
298.09625	6.8
313.49741	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2417
Annotation	9(S)-HODE
Peak:m/z	Relative Intensity
50.91990	2.5
55.01856	8.5
55.05254	4.4
55.05504	55.9
57.03429	5.1
57.07062	12.5
65.66161	3.0
67.05498	73.2
69.07062	48.3
69.60499	10.0
69.60935	12.5
71.04991	4.9
71.08631	9.7
79.05490	31.5
81.07052	77.3
83.04977	7.1
83.08614	41.8
85.06537	5.0
91.05473	8.5
93.07024	30.2
95.08591	51.1
97.06500	7.4
97.10152	48.2
105.07014	8.2
107.08573	32.1
109.10131	36.2
111.08077	7.6
113.09614	3.3
119.08562	7.1
121.10114	12.5
123.08020	4.0
123.11686	14.6
125.09597	29.7
126.77033	3.5
133.10126	5.0
135.08098	6.4
135.11671	30.0
136.06190	5.1
137.13287	10.6
146.41679	3.0
147.11646	3.8
149.13193	6.0
151.14781	4.1
153.12753	11.5
159.11682	3.3
161.13213	5.2
163.14763	4.0
165.12706	6.2
173.11795	5.8
173.13243	9.7
179.14175	3.2
183.13849	5.1
189.11218	24.7
243.21120	13.2
251.23747	4.4
261.22107	31.9
279.23151	100.0
280.23615	5.4
293.72797	3.6
297.24231	13.2
318.89066	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	297.2418
Annotation	9R-HODE
Peak:m/z	Relative Intensity
53.03917	0.8
55.01853	3.4
55.05501	18.8
57.03422	2.7
57.07072	5.1
59.05004	1.0
65.03918	2.0
67.05492	54.7
69.03406	1.6
69.07057	27.3
70.06600	0.8
71.04987	7.1
71.08620	1.7
71.61431	1.2
79.05480	18.6
81.07042	69.3
82.07347	0.8
83.04967	3.5
83.08598	12.4
84.08125	2.0
85.02882	4.1
85.06539	5.4
91.05447	6.3
93.07029	28.1
95.04951	2.1
95.08589	69.7
97.02883	1.3
97.06509	7.2
97.10152	10.6
98.97544	1.3
99.08075	2.2
105.07012	8.7
107.04926	2.7
107.08575	18.7
109.06502	0.9
109.10135	32.9
111.08064	2.3
111.11697	2.0
115.07555	0.9
117.06924	1.6
119.08559	7.7
121.06461	1.0
121.10128	18.8
123.08066	0.9
123.11683	16.0
125.09611	3.3
131.08543	5.3
133.10115	8.9
135.08060	1.5
135.11668	12.9
136.06161	9.8
137.09569	2.4
137.13228	7.7
139.11145	3.7
145.09081	1.2
145.10063	5.9
147.11673	6.5
149.09532	1.1
149.13222	6.1
151.11125	2.5
151.14813	2.2
153.12672	1.4
153.19716	0.8
159.11661	3.4
161.13211	7.3
163.11215	1.0
163.14760	2.9
165.12729	2.8
165.16428	0.8
167.10704	0.8
169.12250	0.9
171.11568	0.9
173.13199	4.9
175.14827	2.1
177.12680	1.2
177.16348	1.9
179.14291	3.3
181.06462	2.7
187.13280	1.3
187.14801	3.1
191.14270	1.7
193.15935	0.9
195.13795	1.9
201.16425	1.1
205.15891	0.8
208.07471	1.1
209.15317	2.8
215.16344	0.9
223.16904	3.5
233.22653	1.3
243.21037	11.2
246.14774	1.8
247.15224	2.6
251.23761	0.9
253.23404	3.8
261.22089	24.6
279.23135	100.0
280.23477	4.3
286.34302	0.8
297.23950	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	297.2419
Annotation	9(S)-HODE
Peak:m/z	Relative Intensity
53.03920	1.2
55.01857	2.0
55.05503	10.9
57.03431	1.9
57.07063	4.6
62.06064	4.1
67.05498	25.4
69.03413	1.7
69.07052	12.6
71.04977	1.9
71.08621	100.0
72.93768	1.7
75.96172	1.3
79.05482	14.9
81.07044	52.0
83.04963	3.5
83.08610	11.9
84.35370	1.1
85.06533	2.9
85.10162	2.0
91.05459	13.7
93.07034	12.7
93.69159	1.1
95.08591	31.8
95.89964	1.2
97.06526	5.7
97.10157	5.1
99.08079	88.3
105.07013	14.2
107.08582	13.8
109.06527	1.3
109.10136	11.8
111.08051	2.6
113.09627	2.5
117.07014	1.8
117.09086	1.2
119.08569	11.4
121.10121	13.6
123.08037	2.0
123.11697	7.6
127.11202	4.0
131.08539	8.1
132.95796	1.6
133.10149	4.2
135.11668	7.5
136.06181	5.6
137.13225	4.7
139.11157	2.5
141.12703	1.9
145.10094	7.8
147.11670	42.2
149.09618	2.1
149.13234	4.0
150.82603	1.2
151.11174	2.7
151.14799	2.8
153.12732	10.0
159.11652	2.4
161.13237	4.0
163.11157	9.9
163.14795	17.2
165.12735	17.9
167.14244	5.1
169.12276	2.0
173.13208	5.0
179.14328	1.4
181.15836	9.4
187.14821	1.6
208.88278	1.4
209.15324	2.4
215.18059	1.4
223.16847	1.5
231.90009	1.5
233.22607	3.4
243.21037	13.9
250.89464	3.4
255.01503	2.7
261.22156	23.4
273.91037	2.9
279.23151	87.2
280.23456	3.5
297.02594	1.2
297.18756	1.9
297.24362	9.8
298.24326	1.3
298.27429	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2413
Annotation	 [R-(E,E)]-13,14-Dihydroxy-6,10,14-trimethyl-5,9-pentadecadien-2-one
Peak:m/z	Relative Intensity
53.03935	3.0
55.01863	2.0
55.05256	1.5
55.05504	23.6
55.05772	1.4
56.96557	5.7
57.03418	2.7
57.07055	3.7
59.04982	1.1
61.82474	1.0
65.03932	3.0
67.05496	83.4
69.03402	2.0
69.04517	2.8
69.07060	34.3
69.73206	6.7
70.06581	2.3
71.04984	14.6
71.08601	2.2
72.08118	1.6
73.06551	1.5
79.05048	1.6
79.05483	24.4
81.07047	100.0
82.07367	1.3
83.04961	3.6
83.08607	18.9
85.06534	13.6
91.05469	15.3
91.64112	0.9
93.06467	2.0
93.07034	31.3
95.04935	1.7
95.08593	97.3
97.06522	9.8
97.10150	12.5
99.08064	3.8
105.07017	12.0
107.08578	25.1
109.06495	2.4
109.10145	47.3
110.10504	1.4
111.02437	0.9
111.08057	3.4
111.11695	3.8
113.09618	2.7
115.05445	4.9
117.06995	12.6
118.07331	1.5
119.08564	12.7
121.06497	0.9
121.10131	21.7
123.08031	2.6
123.11694	23.5
125.09606	3.8
127.07508	1.1
131.08533	7.5
133.10101	8.5
135.08063	2.2
135.11676	15.8
136.06143	6.0
137.09596	2.9
137.13237	10.3
139.11162	1.3
145.06482	11.2
145.10152	5.7
146.06825	1.5
147.08008	1.9
147.11679	10.5
149.09575	1.6
149.13261	7.6
151.11163	2.6
151.14786	3.7
153.12691	1.5
159.11659	3.8
161.05833	1.0
161.13246	11.6
163.11157	1.5
163.14803	3.7
165.12711	5.2
165.16344	1.4
167.10744	1.3
173.05959	11.8
173.11732	2.5
173.13242	4.3
174.06294	2.2
175.07661	4.5
175.14815	1.9
175.68956	0.9
176.08023	1.1
177.12790	1.3
177.16315	2.7
179.14293	6.1
181.12215	1.7
183.13837	1.3
184.55048	1.1
187.14824	3.5
191.06987	2.7
191.14278	1.7
193.07587	1.1
195.08253	1.3
195.13823	2.9
201.16281	1.7
203.06989	10.5
204.07373	2.0
205.07596	3.5
205.15842	1.3
206.07796	3.1
207.08040	5.3
209.15279	3.4
221.04709	1.5
221.08073	9.2
222.08395	4.0
223.08601	9.1
223.16872	2.2
224.08876	17.7
225.09088	23.2
234.05283	1.3
240.05373	15.2
240.55527	3.6
243.21007	10.8
247.02739	3.2
249.05937	23.8
249.56146	4.6
251.05878	3.8
252.06136	1.1
253.06219	1.4
257.11655	1.2
260.56726	8.3
261.04456	1.5
261.06985	4.1
261.12738	2.0
261.22101	25.5
265.03732	5.3
267.07870	2.4
269.06946	5.9
273.11209	1.7
276.08286	15.2
276.58411	8.8
277.03833	4.1
277.08716	1.4
277.13480	1.2
279.05368	2.9
279.13852	7.8
279.23151	84.1
280.23529	2.7
283.04800	3.7
285.08829	5.8
285.59021	3.5
287.07986	1.5
287.58960	1.8
295.04782	6.9
296.59631	4.6
297.06497	3.8
297.10065	1.8
297.14890	17.6
297.21262	1.8
297.24207	25.7
298.24307	1.3
298.27478	1.8
299.06329	1.4
313.06058	4.6
315.07315	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	296.164
Annotation	Nuciferine
Peak:m/z	Relative Intensity
54.69173	0.2
55.05485	0.3
58.19975	0.2
60.67073	0.3
67.05477	0.6
69.03413	0.4
69.07053	0.6
70.06590	0.4
71.62795	0.5
72.93762	0.3
79.05501	0.5
81.07034	0.7
84.08114	0.4
85.02890	1.1
90.94807	0.4
91.05470	0.4
93.07024	0.4
95.08582	0.5
96.08897	0.3
110.07137	0.3
114.96103	0.2
128.53571	0.3
133.10103	0.3
165.06895	0.3
173.09509	0.2
178.07761	1.1
179.08553	3.3
189.07008	0.7
190.07774	1.5
191.08546	4.0
192.09238	0.3
193.06471	0.4
193.10042	0.6
195.07880	0.4
202.07768	1.0
203.08534	2.7
204.09288	0.8
205.06467	1.0
205.10095	2.6
206.07245	0.6
207.08049	5.2
208.08658	0.5
210.55473	0.3
217.06447	1.2
218.07243	4.2
219.08002	8.4
220.08667	0.8
221.05997	3.6
221.09552	3.9
222.06657	0.7
222.10289	1.9
223.07321	0.4
225.09196	0.3
231.08028	0.8
232.08704	0.4
233.09592	4.4
234.10368	30.0
235.07510	30.3
235.10809	1.5
236.08211	6.0
237.09090	1.4
238.09822	0.8
249.09068	2.5
250.09859	46.7
251.10216	2.3
253.12228	0.7
260.10156	0.5
265.12198	100.0
266.12552	5.2
273.04156	1.3
296.16409	45.5
297.16745	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	296.1153
Annotation	Triadimenol
Peak:m/z	Relative Intensity
55.05512	0.1
55.31286	0.1
56.06558	0.1
57.07067	1.2
65.62302	0.2
67.05498	0.3
69.07043	1.1
70.04063	100.0
71.03762	0.4
71.04391	0.5
71.57042	0.2
71.57444	0.2
79.05486	0.2
81.07050	0.4
91.05451	0.2
93.07034	0.2
95.08606	0.4
99.08069	4.7
109.10094	0.2
115.71294	0.2
141.01044	0.2
169.04076	0.2
197.97383	0.2
199.06970	0.2
218.04111	0.2
227.08241	0.9
235.07526	0.3
252.23094	0.3
265.09012	0.2
265.12140	0.3
278.17773	0.2
278.22052	0.2
296.22641	0.2
296.25797	0.8
298.76749	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	296.1153
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	0.1
55.31286	0.1
56.06558	0.1
57.07067	1.2
65.62302	0.2
67.05498	0.3
69.07043	1.1
70.04063	100.0
71.03762	0.4
71.04391	0.5
71.57042	0.2
71.57444	0.2
79.05486	0.2
81.07050	0.4
91.05451	0.2
93.07034	0.2
95.08606	0.4
99.08069	4.7
109.10094	0.2
115.71294	0.2
141.01044	0.2
169.04076	0.2
197.97383	0.2
199.06970	0.2
218.04111	0.2
227.08241	0.9
235.07526	0.3
252.23094	0.3
265.09012	0.2
265.12140	0.3
278.17773	0.2
278.22052	0.2
296.22641	0.2
296.25797	0.8
298.76749	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	296.089
Annotation	Unknow
Peak:m/z	Relative Intensity
71.29669	2.3
75.81416	0.9
77.00007	0.9
81.07034	1.1
91.81374	1.0
105.39232	0.9
119.91330	0.9
133.74826	1.0
255.06268	100.0
256.06689	2.2
265.71790	0.9
273.07239	1.3
296.08942	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	295.2263
Annotation	9(S)-HOTrE
Peak:m/z	Relative Intensity
52.07519	2.0
53.03925	6.0
55.01863	4.5
55.05503	23.9
57.03427	45.9
57.07062	6.0
65.03925	2.0
67.05495	61.2
69.07056	22.8
71.04982	3.9
71.08613	3.5
79.05476	45.5
81.03400	3.6
81.07040	100.0
83.04951	6.0
83.08591	14.3
85.06537	8.0
91.05466	27.3
93.07026	63.6
95.04939	6.2
95.08591	83.6
97.06525	7.0
97.10149	9.1
99.08077	8.3
100.12160	2.1
105.07021	21.1
107.08572	47.5
109.06521	7.6
109.10137	30.9
111.08073	10.0
111.11679	2.5
113.09625	4.9
117.06978	11.7
119.08560	21.1
121.10116	38.0
123.08043	13.0
123.11687	8.0
125.09607	2.3
129.06938	2.6
131.08511	13.9
133.10086	21.8
135.11667	30.7
137.09583	7.3
139.11166	5.5
143.08546	4.9
145.10103	14.8
147.11656	14.2
149.09529	4.3
149.13229	13.7
151.11150	7.4
153.05463	2.3
153.12659	2.9
157.10081	3.3
159.11693	10.0
161.13246	7.1
163.11090	4.4
163.14815	6.0
165.12711	7.8
167.10609	3.1
171.11629	4.7
173.13258	5.1
179.14279	3.1
181.12175	6.6
185.13190	4.8
187.14790	21.9
199.14911	2.8
203.17940	4.5
205.14165	2.2
205.15811	11.8
213.16379	2.6
221.15465	4.1
221.18980	9.6
222.08592	2.7
223.08559	4.2
223.16856	10.5
237.18513	5.1
241.19490	9.5
259.20544	20.9
277.21573	94.9
278.21832	2.5
295.14432	3.4
295.22635	33.5
295.31152	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2262
Annotation	9R-Hydroxy-10E,12Z,15Z-Octadecatrienoic acid
Peak:m/z	Relative Intensity
52.92330	1.7
53.03936	2.9
55.01867	13.1
55.05253	2.3
55.05502	29.2
56.51484	1.6
57.03418	2.8
57.07065	3.0
65.03915	2.5
66.74754	1.5
67.05494	51.9
69.03416	2.9
69.07056	88.9
70.04055	14.2
70.15630	3.9
71.04982	7.2
72.73260	1.5
79.05480	37.9
79.86639	1.5
81.03398	3.4
81.07044	100.0
83.04963	6.7
83.08617	16.7
84.53991	1.7
85.06529	10.5
86.33115	1.6
91.05472	25.0
93.06457	3.1
93.07027	45.6
95.04953	8.2
95.08590	55.7
97.06516	19.5
97.10146	8.1
99.08075	16.5
105.07017	23.7
107.08581	34.6
109.06493	6.1
109.10139	12.7
111.08068	7.2
113.09644	2.5
115.07558	7.4
117.06989	5.2
119.08555	21.8
121.10123	31.7
123.08089	8.7
123.11693	7.2
125.05991	1.8
125.09620	26.1
127.60164	1.8
129.06955	4.6
131.08540	7.8
133.10121	16.9
135.11682	33.3
137.09584	1.8
137.13272	2.8
143.08524	3.7
145.10118	9.7
147.11673	28.4
149.02306	10.3
149.09558	2.0
149.13235	15.5
151.11185	3.6
159.11671	5.9
161.13223	14.4
163.11157	3.8
163.14818	3.8
165.12778	5.4
170.81993	1.4
171.11646	8.2
173.13332	3.4
175.14796	2.5
177.12654	2.0
179.14281	4.5
181.12212	3.5
185.13220	4.7
189.12729	6.5
195.13913	2.0
207.13844	3.4
212.80032	1.7
235.16827	2.6
241.19493	6.5
249.22112	3.5
259.20477	17.5
277.21585	84.0
295.22653	54.4
299.94113	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2263
Annotation	9(S)-HOTrE
Peak:m/z	Relative Intensity
53.03941	4.2
55.01846	6.2
55.05506	26.7
57.07073	3.5
67.05498	55.6
69.03441	3.1
69.07058	17.7
71.08276	3.3
71.08624	37.2
77.59329	3.5
79.05481	45.5
81.03406	8.0
81.07053	49.4
83.04961	11.4
83.08593	10.9
86.16064	3.4
91.05463	26.3
93.07035	61.6
95.04958	7.7
95.08604	37.1
97.06493	7.4
97.10169	15.7
98.20691	6.1
99.08098	30.8
105.07033	16.1
107.04937	5.0
107.08581	42.5
109.06493	3.2
109.10154	28.6
117.07036	3.3
119.08559	13.8
121.10136	34.8
125.09599	10.8
131.08543	8.0
133.10115	11.0
135.11687	39.2
145.10123	3.9
149.13200	11.0
151.11159	13.7
159.11707	3.8
161.13228	10.1
163.11166	4.2
163.14865	4.5
173.13152	3.5
179.14293	100.0
189.11209	8.2
195.13774	4.2
235.16867	6.0
241.19283	3.5
259.20529	9.4
277.21588	71.1
278.21899	3.5
295.22510	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2263
Annotation	9(S)-HOTrE
Peak:m/z	Relative Intensity
53.03939	13.4
55.01870	6.0
55.05503	18.0
56.18007	1.1
57.03414	3.0
57.07055	4.4
65.73853	1.2
67.05492	40.5
69.03421	2.1
69.06716	1.9
69.07058	31.1
70.04053	1.4
70.05533	4.6
70.05947	2.8
71.04970	2.4
71.08611	2.9
72.01569	1.1
78.87766	1.4
79.05476	26.4
81.03406	55.2
81.06572	1.9
81.07045	37.9
83.04467	1.8
83.04959	15.3
83.08604	7.0
85.06530	2.2
91.05467	16.6
91.06009	2.0
93.06467	2.2
93.07028	31.4
95.04951	28.6
95.08581	14.5
97.06499	2.9
97.10139	6.5
98.20734	1.4
99.08060	4.2
105.07012	13.7
107.08575	21.2
109.06528	6.7
109.10143	13.0
111.08055	3.4
117.06992	2.9
119.08550	10.5
121.10120	8.8
123.08042	1.9
123.11705	6.6
125.09631	6.1
131.08522	3.0
133.10091	11.7
135.08044	2.8
135.11656	5.5
137.09616	1.8
143.08595	1.3
145.10124	3.2
147.07985	2.3
147.11659	10.3
149.13217	5.0
151.11156	40.3
153.09056	4.1
153.12735	1.5
161.09575	2.1
161.13229	9.7
161.70659	1.2
163.14787	4.6
165.12721	10.0
171.10179	1.2
171.11600	1.9
175.11182	1.8
175.14795	2.9
177.12772	2.5
178.60257	1.2
179.14233	3.3
189.12675	2.5
193.12210	2.2
207.13750	5.0
209.02621	1.4
217.19450	2.8
221.15283	2.4
231.21010	9.7
241.19420	5.4
249.22096	4.3
259.20520	7.9
277.21582	100.0
278.21899	4.6
295.22635	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2264
Annotation	9R-Hydroxy-10E,12Z,15Z-Octadecatrienoic acid
Peak:m/z	Relative Intensity
50.86353	1.8
50.92500	1.4
53.03930	3.6
55.01868	9.1
55.05503	54.1
55.93027	1.9
57.03424	5.8
57.07067	8.1
65.03918	3.5
67.05495	95.3
69.03410	5.7
69.07055	37.7
70.23476	8.0
71.04977	4.9
71.08617	16.4
79.05477	40.7
81.03412	8.5
81.07043	69.6
83.04964	13.4
83.08606	27.0
85.06522	5.9
85.10159	2.7
91.05466	23.9
93.07030	50.2
95.04946	16.8
95.08594	40.3
97.06538	7.7
97.10152	31.3
98.20799	1.9
99.08081	16.8
103.66624	1.6
105.07015	23.1
107.08587	34.8
109.06498	7.8
109.10145	32.0
111.08074	6.3
113.09640	2.1
113.39219	1.8
117.07025	5.6
119.08557	16.9
121.06457	1.9
121.10130	21.3
123.08048	7.1
123.11672	9.0
125.09610	26.0
129.07016	2.7
131.08553	5.5
133.10130	13.9
135.08011	5.3
135.11673	18.1
137.09595	8.3
139.11189	13.0
143.08554	2.9
145.10080	6.0
147.11679	13.1
149.13252	11.6
151.11166	11.7
153.09052	3.4
153.12703	3.1
155.10675	3.3
157.10027	4.0
159.11752	1.7
161.13248	11.2
163.11171	6.1
163.14801	4.1
165.09148	1.9
165.12750	5.9
167.14256	2.2
171.10164	1.9
171.11647	4.9
173.11777	2.7
173.13229	4.8
175.14702	7.6
179.14265	6.3
181.12207	2.6
185.13219	3.1
188.65938	1.9
189.11191	20.9
189.12717	3.6
193.12175	1.9
193.15820	3.5
199.14847	2.5
203.14221	2.5
205.67064	1.5
207.13736	3.1
213.16386	1.8
217.19566	1.9
221.15334	5.0
222.08315	1.9
223.08624	5.9
231.21106	3.5
241.19502	7.3
249.22168	5.4
259.20493	12.9
277.13284	2.7
277.21588	100.0
278.21884	3.0
295.14349	2.1
295.22641	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	295.2263
Annotation	13-OxoODE
Peak:m/z	Relative Intensity
53.03928	5.1
55.01855	9.4
55.05501	35.9
57.03415	8.3
57.07067	16.1
67.05493	86.6
69.03419	4.7
69.07059	58.2
70.07368	4.4
70.07811	3.0
71.04989	2.9
71.07779	6.7
71.08621	67.2
79.05476	43.9
81.03403	14.6
81.07047	53.1
83.03317	2.4
83.04972	13.7
83.08611	25.8
85.06538	5.2
85.83475	2.5
86.09680	5.2
91.05463	31.7
93.06461	3.4
93.07023	49.7
95.04933	14.5
95.08592	38.7
97.06508	10.3
97.10152	27.2
99.07467	4.8
99.08080	68.4
105.07015	21.9
107.04929	6.3
107.07832	3.8
107.08558	33.7
109.06496	4.9
109.10139	25.0
111.08065	6.9
115.07580	9.3
116.20905	2.9
117.06983	7.0
117.43520	2.4
119.08562	15.1
121.10108	20.8
123.08022	4.8
123.11644	5.2
125.09618	21.7
129.06960	6.1
131.08578	5.7
133.10141	12.4
135.08043	4.6
135.11671	20.9
137.09596	6.0
137.13168	2.7
139.07509	5.6
143.00650	3.0
145.10107	6.9
147.11652	13.6
149.13223	12.5
151.11165	54.0
153.09091	4.7
157.10060	4.7
159.11673	3.0
161.13226	31.2
163.11156	22.8
163.14790	5.4
165.12717	3.5
171.11653	6.9
173.13223	6.5
175.14763	7.7
179.14297	23.2
184.07272	12.3
185.13176	5.0
189.11214	18.4
189.12625	3.6
198.07639	8.7
199.06970	11.1
199.14752	4.6
207.13802	3.8
221.15338	5.3
222.08470	4.5
223.08586	3.3
231.21069	3.5
235.16975	2.7
235.68790	2.9
241.19426	14.4
253.71074	2.9
259.20523	14.5
277.21588	100.0
278.21841	3.0
295.10193	7.2
295.14240	4.5
295.22687	15.2
296.09625	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	295.2262
Annotation	9-Oxo-10,12-octadecadienoic acid
Peak:m/z	Relative Intensity
52.65574	2.3
53.03933	4.8
55.01869	3.3
55.05503	30.8
57.03420	2.5
57.07050	7.0
64.51387	2.2
67.05495	59.4
69.03409	3.7
69.07052	29.3
70.05844	13.3
71.04983	2.8
71.08219	3.1
71.08617	51.5
79.05484	37.7
81.03413	16.1
81.07043	45.5
82.24078	2.3
83.04966	10.3
83.08624	20.7
85.06511	5.3
85.10164	4.8
86.09683	5.2
91.05466	21.5
93.07026	40.6
95.04943	15.7
95.08594	30.9
97.06506	6.0
97.10152	23.2
99.08071	46.9
100.47227	2.0
103.52863	2.0
104.10733	4.2
105.07004	16.9
107.04906	4.5
107.08582	25.8
109.06492	5.4
109.10126	24.0
111.08057	4.9
113.09593	6.4
117.06961	6.6
119.08556	13.7
121.06416	4.0
121.10135	14.5
123.08024	4.9
123.64468	2.3
125.09624	19.4
129.07018	4.1
131.08528	5.7
133.06474	5.5
133.10101	15.1
135.08012	4.5
135.11691	13.6
137.09616	4.4
139.07503	2.8
143.08549	2.4
145.10089	7.3
147.11678	12.7
149.13226	10.3
151.11162	36.9
159.11607	5.0
161.13213	22.3
163.11157	17.0
163.14824	3.4
165.12762	11.2
171.11633	5.1
173.13145	2.5
175.14824	3.4
178.61688	2.5
179.14320	17.6
185.13324	2.6
189.11212	17.6
189.12758	3.4
189.88368	2.3
199.14861	3.0
212.33694	2.6
221.15234	4.7
222.08397	4.8
223.08586	4.4
231.21046	3.0
235.17017	3.2
241.19513	9.1
259.20633	11.6
277.13373	4.3
277.21582	100.0
278.21902	3.2
295.14557	3.6
295.22644	53.3
312.24298	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2263
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	3.2
55.01864	26.1
55.05507	35.8
57.03410	6.3
57.07069	11.4
63.63631	2.3
65.03929	2.3
67.05494	62.5
69.03404	7.3
69.07058	32.3
70.06585	5.9
71.05005	5.4
71.08621	30.6
71.63319	3.0
72.08118	3.0
79.05481	39.0
81.03410	13.7
81.07048	72.8
83.04975	17.0
83.08603	27.2
84.08119	4.4
85.02897	4.2
85.06555	5.4
85.10168	13.4
91.05467	32.9
93.07030	41.3
95.04950	15.2
95.06066	4.1
95.08595	43.1
97.02884	2.9
97.06511	23.6
97.10134	14.6
98.98438	2.8
99.08089	20.6
105.07009	27.1
107.04939	8.0
107.08589	25.5
109.06498	9.9
109.10136	22.4
110.07122	2.7
111.04401	2.8
111.08060	30.8
111.11655	2.9
113.09634	17.5
117.07005	7.4
119.08551	19.0
121.06449	3.3
121.10130	19.0
123.08050	7.9
123.11661	9.3
125.09584	9.3
129.06966	6.6
131.08522	5.6
133.10126	24.0
135.08028	2.9
135.11694	15.4
137.09650	2.7
137.13214	5.7
139.11148	8.5
143.08543	4.6
145.06381	3.6
145.10078	10.0
147.08075	3.3
147.11659	25.0
149.09569	7.8
149.13243	10.4
151.11156	23.5
153.12752	3.7
157.10088	4.6
159.11650	3.5
161.09628	3.4
161.13220	9.9
163.11200	13.5
163.14746	2.7
165.12733	21.3
168.17468	7.1
171.11617	3.6
173.05916	3.3
173.13258	4.1
175.07567	4.0
175.14844	4.5
176.71428	2.4
179.14282	15.7
187.07675	2.9
189.05560	2.3
189.12715	2.4
193.07585	3.9
193.12230	3.5
203.07047	4.5
204.07411	4.7
205.07481	7.2
207.13817	4.7
219.06413	5.4
219.14130	2.3
221.08008	11.3
221.15346	3.6
222.08360	21.1
223.08620	47.1
231.21123	6.4
241.19444	6.5
249.22107	4.8
259.09637	6.8
259.12183	3.1
259.20511	16.7
265.12302	4.4
277.10733	3.5
277.13339	10.5
277.21609	100.0
278.21960	5.0
279.09998	3.7
285.08258	2.7
295.11105	6.8
295.14410	25.2
295.19672	3.5
295.22705	60.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2263
Annotation	(11R)-Hydroxy-6(Z),9(Z),12(Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
53.03927	3.2
55.01864	26.1
55.05507	35.8
57.03410	6.3
57.07069	11.4
63.63631	2.3
65.03929	2.3
67.05494	62.5
69.03404	7.3
69.07058	32.3
70.06585	5.9
71.05005	5.4
71.08621	30.6
71.63319	3.0
72.08118	3.0
79.05481	39.0
81.03410	13.7
81.07048	72.8
83.04975	17.0
83.08603	27.2
84.08119	4.4
85.02897	4.2
85.06555	5.4
85.10168	13.4
91.05467	32.9
93.07030	41.3
95.04950	15.2
95.06066	4.1
95.08595	43.1
97.02884	2.9
97.06511	23.6
97.10134	14.6
98.98438	2.8
99.08089	20.6
105.07009	27.1
107.04939	8.0
107.08589	25.5
109.06498	9.9
109.10136	22.4
110.07122	2.7
111.04401	2.8
111.08060	30.8
111.11655	2.9
113.09634	17.5
117.07005	7.4
119.08551	19.0
121.06449	3.3
121.10130	19.0
123.08050	7.9
123.11661	9.3
125.09584	9.3
129.06966	6.6
131.08522	5.6
133.10126	24.0
135.08028	2.9
135.11694	15.4
137.09650	2.7
137.13214	5.7
139.11148	8.5
143.08543	4.6
145.06381	3.6
145.10078	10.0
147.08075	3.3
147.11659	25.0
149.09569	7.8
149.13243	10.4
151.11156	23.5
153.12752	3.7
157.10088	4.6
159.11650	3.5
161.09628	3.4
161.13220	9.9
163.11200	13.5
163.14746	2.7
165.12733	21.3
168.17468	7.1
171.11617	3.6
173.05916	3.3
173.13258	4.1
175.07567	4.0
175.14844	4.5
176.71428	2.4
179.14282	15.7
187.07675	2.9
189.05560	2.3
189.12715	2.4
193.07585	3.9
193.12230	3.5
203.07047	4.5
204.07411	4.7
205.07481	7.2
207.13817	4.7
219.06413	5.4
219.14130	2.3
221.08008	11.3
221.15346	3.6
222.08360	21.1
223.08620	47.1
231.21123	6.4
241.19444	6.5
249.22107	4.8
259.09637	6.8
259.12183	3.1
259.20511	16.7
265.12302	4.4
277.10733	3.5
277.13339	10.5
277.21609	100.0
278.21960	5.0
279.09998	3.7
285.08258	2.7
295.11105	6.8
295.14410	25.2
295.19672	3.5
295.22705	60.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.117
Annotation	3alpha-Hydroxy-11beta,13-dihydrodeoxymikanolide
Peak:m/z	Relative Intensity
53.01074	0.6
55.01856	1.1
55.05484	1.3
57.03404	1.9
57.07042	0.6
59.04972	0.7
67.05506	1.2
69.03411	3.7
69.07031	1.8
69.92749	2.5
71.04956	0.7
74.87563	0.6
75.04446	1.6
77.03902	0.6
79.05457	2.0
81.03374	0.8
81.07013	2.4
83.04970	0.6
84.08110	0.7
88.07681	0.5
91.05421	2.6
93.07029	1.3
93.36330	0.6
95.08572	1.7
97.06477	1.6
99.08092	0.5
105.03366	0.7
105.06980	2.9
107.04937	4.2
109.10105	1.1
115.05422	1.5
117.06997	4.1
119.08531	1.9
121.06481	1.5
121.10127	1.1
123.04449	0.7
123.08012	0.7
128.06204	1.5
129.06987	2.0
131.04874	1.2
131.08539	0.8
133.06471	3.0
134.03571	1.0
135.04381	1.5
135.11694	0.5
137.05930	3.9
141.06897	0.9
142.07727	1.5
143.08490	1.8
144.05670	0.6
145.06461	11.6
147.04376	27.4
147.08017	6.8
149.05952	4.3
152.06149	0.6
157.06445	2.2
157.10107	1.2
159.08017	2.7
160.05156	0.7
161.02361	0.9
161.05943	10.4
161.09569	0.8
163.03925	0.8
163.07483	1.3
165.06865	0.9
167.08485	1.8
170.07227	1.5
171.07982	3.3
173.05957	23.5
173.09688	0.6
174.06570	2.2
175.07512	21.4
176.07779	0.8
177.05386	1.6
179.03342	1.1
179.07001	3.2
183.08014	0.8
184.05177	0.6
185.05951	3.7
185.09564	5.4
187.03835	0.8
187.07527	3.6
187.11070	0.9
188.08266	1.5
189.05434	23.3
189.09062	6.1
190.05676	0.7
191.03398	0.8
191.06978	11.6
195.08014	3.3
198.06734	3.8
199.07483	8.5
200.04585	1.0
200.08269	2.3
201.05432	31.6
201.09152	1.6
202.05898	1.1
203.06935	3.2
203.10612	1.2
207.06467	18.2
207.08368	1.0
208.06882	0.8
211.07425	1.0
212.08253	2.0
213.05484	13.0
213.09039	17.3
214.05849	1.0
215.06877	1.5
215.10663	2.0
216.07785	1.7
217.08566	2.1
219.06477	86.9
220.06786	2.7
223.07426	2.3
226.06204	2.1
227.06947	1.4
228.07765	20.0
229.08495	7.9
231.06444	1.8
231.10074	11.2
235.07475	0.7
241.08553	32.0
242.08939	1.6
244.07338	0.8
247.09619	3.5
249.11200	2.2
259.09604	79.6
260.10001	3.0
265.12164	2.1
277.10645	61.5
278.10959	2.8
279.10126	0.9
295.11700	100.0
296.12057	3.7
296.16248	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1171
Annotation	3alpha-Hydroxy-11beta,13-dihydrodeoxymikanolide
Peak:m/z	Relative Intensity
55.01826	0.8
55.05473	0.8
59.04942	0.9
67.05463	1.4
69.03362	1.8
69.07010	1.4
70.87222	1.8
71.04922	1.0
79.05446	1.5
81.06982	2.6
84.08084	0.9
85.06432	0.7
87.07819	0.5
88.13966	0.5
88.29381	0.6
90.66833	0.6
91.05408	1.9
93.06966	1.8
93.70014	0.6
95.04915	0.9
95.08543	0.8
97.06427	0.8
101.91510	0.6
105.06944	2.0
107.04903	1.7
109.06432	2.0
109.10049	1.0
117.06957	1.0
119.04847	0.8
119.08498	0.8
121.06429	2.3
121.10165	0.9
123.04389	0.7
123.07993	0.8
129.06927	0.9
131.04897	1.1
133.06384	2.3
135.04404	5.3
137.05966	5.4
145.06464	2.9
147.04312	2.1
147.08012	1.0
149.05951	9.7
151.03816	0.9
157.06415	0.8
158.07143	0.7
159.07983	1.3
161.05983	4.3
163.02562	1.1
163.03873	17.3
163.07483	1.1
165.05467	3.4
171.04294	0.9
171.07967	1.0
173.05913	2.6
173.09512	0.6
174.06871	0.6
175.07481	1.7
177.05437	34.3
178.05801	1.4
179.07065	2.9
179.08369	0.6
185.09500	1.8
187.07552	0.7
187.11034	0.7
189.05434	9.9
189.09015	2.3
191.06989	7.5
193.04794	1.0
196.59177	0.6
198.06693	1.9
199.07365	1.2
201.05431	1.7
203.10611	2.3
205.04930	19.6
206.05261	1.0
207.06398	1.8
213.09059	6.8
216.07794	0.8
217.04886	1.9
217.08455	1.6
219.06482	5.4
229.04927	1.8
231.10117	31.5
232.10410	0.9
233.11700	4.0
241.08469	5.8
244.07397	1.2
249.11192	22.3
250.11490	1.0
259.09622	21.5
260.09845	1.0
277.10657	81.1
278.10907	4.0
295.11713	100.0
296.12042	6.4
296.70346	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1171
Annotation	3alpha-Hydroxy-11beta,13-dihydrodeoxymikanolide
Peak:m/z	Relative Intensity
53.03960	0.5
55.01863	0.8
55.05489	0.7
57.03422	1.3
59.04974	1.0
67.05507	0.7
69.03420	2.9
69.07040	1.0
69.96963	3.1
75.04469	0.7
79.05470	1.6
80.62829	0.5
81.07040	1.7
83.04977	0.7
91.05472	2.0
93.07030	1.3
95.08600	0.7
97.06513	1.0
98.20704	0.6
105.07012	3.2
107.04926	4.1
115.05460	1.2
117.07020	3.4
119.04939	0.7
119.08565	1.2
121.06479	1.1
128.06186	1.1
129.06967	2.5
131.04892	0.9
133.02837	0.9
133.06453	2.2
134.43764	0.6
135.04414	1.1
137.05983	4.5
141.07002	0.9
142.07742	0.7
143.08534	1.6
145.06458	11.1
147.04381	21.5
147.08018	6.5
147.11693	0.7
148.04839	0.7
149.05945	4.2
152.06212	0.7
154.07669	0.5
157.06413	1.4
157.10066	1.8
159.07994	1.7
161.02321	1.0
161.05959	9.1
161.09602	0.7
163.03917	0.8
163.07518	1.2
167.08522	1.4
169.06432	0.6
170.07253	1.4
171.04457	0.9
171.08022	2.5
173.05954	19.5
173.09251	0.6
174.06697	1.6
175.07515	21.0
177.05424	2.1
179.03339	1.0
179.07016	2.7
185.05992	2.9
185.09621	4.1
187.07555	3.7
188.08282	0.9
189.05440	19.8
189.09047	6.1
191.06998	9.6
195.08060	2.3
198.06685	3.1
199.07495	8.0
200.08255	2.3
201.05431	29.8
201.09131	2.0
202.05911	1.0
203.06958	3.1
203.10635	1.8
207.06503	14.8
208.06882	0.7
212.08324	1.5
213.05490	10.7
213.09047	15.7
214.05939	0.6
215.07010	1.0
215.10591	2.9
216.07574	0.8
217.08543	2.2
219.06493	79.5
220.06825	2.1
221.07968	0.8
223.07516	1.7
226.06247	1.7
227.07002	1.1
228.07765	17.8
229.08560	5.8
231.06464	2.2
231.10103	9.2
241.08553	30.3
242.08919	1.3
244.07385	0.7
247.09552	2.3
249.11116	2.5
259.09613	70.6
260.09991	2.5
277.10672	59.1
278.10971	2.4
295.11713	100.0
296.12085	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	295.117
Annotation	3alpha-Hydroxy-11beta,13-dihydrodeoxymikanolide
Peak:m/z	Relative Intensity
55.01851	1.1
55.05496	2.0
56.96568	0.5
57.03424	2.1
57.07064	1.5
59.05000	0.9
65.03915	0.7
67.05501	4.8
69.03424	4.0
69.07073	3.0
70.06572	1.0
70.08754	1.8
70.09173	1.1
71.04982	1.4
72.08114	0.8
75.04446	1.0
79.05487	3.4
81.07051	7.9
83.04955	1.7
83.08597	1.7
84.08117	2.0
85.02915	1.4
85.06494	0.9
91.05463	6.3
93.07055	3.1
95.04945	1.3
95.08607	6.2
97.06521	2.4
97.10123	0.8
99.08089	0.7
105.03372	0.9
105.07017	4.1
107.04958	3.0
107.08554	2.9
109.02855	0.9
109.06502	1.0
109.10166	3.4
111.11668	0.7
115.05457	1.5
117.06991	5.2
119.04923	3.4
119.08559	2.4
120.08096	1.5
121.06483	2.5
121.10120	1.6
123.04455	0.8
123.08083	0.7
123.11688	1.9
125.09586	0.8
128.06221	1.5
129.06987	2.3
129.10217	0.9
131.04897	0.9
131.08543	0.8
133.04955	0.7
133.06497	2.8
133.10089	2.1
134.03638	0.9
135.04410	1.8
135.08022	1.2
135.11655	1.3
137.05908	3.2
137.09599	1.1
141.06856	0.8
142.07773	1.1
143.08540	2.0
145.06479	10.1
147.04391	34.6
147.08017	5.0
147.11649	0.8
148.04890	0.7
149.05959	4.4
149.07343	1.3
149.13246	0.8
153.06981	0.6
157.06448	1.4
157.10121	1.5
159.08032	1.4
161.02328	1.1
161.05969	9.5
161.09552	0.8
161.13205	1.2
163.03809	0.9
163.07541	1.0
165.06950	0.8
167.08530	1.4
169.10042	0.8
170.07292	1.0
171.08076	2.8
171.11522	0.7
173.05971	19.3
173.09460	0.7
174.06648	1.1
175.07532	18.4
175.11218	0.8
176.07869	1.0
177.05492	2.2
179.03273	0.9
179.07031	1.7
179.08427	0.8
182.08359	0.6
183.08011	0.9
185.05966	2.3
185.09584	3.8
187.07489	2.9
188.08281	1.4
189.05438	18.0
189.09068	6.1
190.05829	0.7
191.07010	10.7
195.08110	1.7
198.06757	2.6
199.07535	5.7
200.08305	2.5
201.05437	27.3
201.09055	2.0
202.05765	0.9
203.07024	2.9
203.10579	1.5
205.04909	0.9
207.06509	12.6
211.07578	1.8
212.08157	1.2
213.05478	9.9
213.09087	12.7
215.07097	1.4
215.10645	2.6
216.07649	1.0
217.08580	1.2
218.08153	1.4
219.06503	76.0
220.06865	2.4
223.07776	0.7
226.06236	1.2
227.07010	1.2
228.07774	16.1
229.08580	5.0
231.06503	1.8
231.10141	9.5
231.13661	0.8
233.15311	0.8
241.08571	29.1
242.08987	1.2
247.09595	3.3
249.11151	2.9
259.09641	65.9
259.20325	0.9
260.10022	2.5
277.10687	53.1
277.21616	1.8
278.11014	3.0
295.11737	100.0
296.12158	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	295.1171
Annotation	3alpha-Hydroxy-11beta,13-dihydrodeoxymikanolide
Peak:m/z	Relative Intensity
55.01822	1.1
55.05454	1.5
57.03395	1.1
57.07033	0.8
59.04944	1.9
59.91411	0.6
67.05443	2.5
69.03371	2.5
69.07006	1.5
69.50449	5.3
70.06523	1.0
71.04926	1.6
74.86076	0.6
79.05474	1.1
81.07039	4.7
83.04930	1.3
83.08543	0.6
84.08091	1.3
85.02854	1.2
85.06485	1.6
87.04416	1.1
91.05403	2.2
93.06972	2.7
95.04910	1.0
95.08543	2.1
97.02819	1.6
97.06532	0.9
98.20763	1.2
103.05435	0.9
105.06943	2.3
107.04883	2.1
107.08549	1.0
109.02843	0.7
109.06466	2.3
109.10081	0.9
115.03876	1.0
117.06972	1.4
119.08521	1.5
120.08086	1.3
121.06477	2.8
123.08032	1.1
128.06209	0.7
129.06943	1.4
131.04861	0.9
131.08595	1.5
132.85728	0.7
133.04939	0.8
133.06396	2.5
135.04381	5.4
135.07993	1.3
137.05949	6.6
141.85681	0.6
142.07735	0.9
145.06471	3.3
147.04350	1.8
149.05956	8.5
151.03790	1.1
151.07491	0.8
153.06779	0.6
157.10062	1.5
159.08000	1.9
161.05968	4.6
161.09532	0.9
163.03882	19.8
163.07486	2.3
165.05479	3.8
167.08485	0.9
171.07962	1.1
173.05974	2.0
173.09538	0.8
174.06706	0.7
175.07510	1.5
175.11057	0.6
177.05440	35.4
179.06940	2.0
185.09503	1.9
187.07503	1.1
188.08366	0.7
189.05428	7.6
189.09042	1.7
191.07007	7.6
193.04881	1.2
198.06728	2.1
201.05428	1.0
203.06900	0.8
203.10580	1.7
205.04924	20.4
205.12137	1.0
207.06367	1.4
213.09073	6.6
215.10538	0.9
216.07550	0.9
217.04922	1.8
217.08521	1.6
219.06393	1.3
223.08572	0.6
229.04988	2.9
231.10118	33.9
232.10356	1.1
233.11697	3.6
241.08658	3.1
244.07254	1.1
249.11180	24.7
250.11636	1.0
259.09619	20.1
277.10666	79.9
278.11020	2.7
295.11725	100.0
296.12222	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	295.117
Annotation	3alpha-Hydroxy-11beta,13-dihydrodeoxymikanolide
Peak:m/z	Relative Intensity
55.05495	0.9
57.03409	1.5
62.12155	0.8
68.99203	0.7
69.03397	2.6
70.75620	2.6
75.04460	1.3
79.05488	1.8
81.07056	0.8
91.05466	0.9
105.07015	2.4
107.04990	2.0
117.06995	3.0
119.08601	1.1
120.56999	0.8
121.06477	1.0
129.06961	1.8
133.06485	2.7
134.03596	0.9
137.05922	3.8
139.27914	0.7
142.07643	0.8
143.08566	0.8
145.06448	8.9
147.04372	21.8
147.08011	5.5
149.05960	3.0
153.06958	1.8
157.06471	1.4
157.10223	0.8
159.08035	1.1
161.05966	8.6
163.07536	1.4
167.08560	1.4
170.07187	1.3
171.08009	1.8
173.05954	17.8
174.06665	1.5
175.07520	21.9
177.05418	1.8
179.03410	1.3
179.07066	2.1
185.05966	3.1
185.09576	2.8
187.07550	2.5
189.05437	18.5
189.09105	5.9
191.06979	11.5
195.08043	1.3
198.06711	3.1
199.07472	7.2
200.08237	2.6
201.05424	28.6
201.09018	2.3
202.06010	1.8
203.07001	2.5
203.10606	1.0
207.06506	14.9
211.07576	1.5
212.08305	2.2
212.19894	0.9
213.05502	10.0
213.09058	15.5
214.09320	0.8
215.07027	1.7
215.10670	2.2
216.07822	1.1
217.08647	2.7
219.06487	74.8
220.06862	1.4
223.07527	2.2
226.06253	1.6
228.07805	17.0
229.08456	4.3
231.06454	1.7
231.10139	8.9
241.08565	30.6
242.08894	1.4
247.09605	3.3
249.11197	3.2
259.09607	67.8
260.09924	3.1
277.10660	58.9
278.11066	3.3
295.11710	100.0
296.12180	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	295.1171
Annotation	3alpha-Hydroxy-11beta,13-dihydrodeoxymikanolide
Peak:m/z	Relative Intensity
55.01847	0.9
55.05494	1.7
57.03426	1.8
59.04986	0.7
62.99900	0.7
67.05496	0.7
69.03412	3.4
69.07047	0.9
70.61034	1.6
70.61406	1.5
71.04967	1.4
71.97420	0.6
75.04464	1.6
79.05457	1.7
80.40248	0.6
81.03394	1.1
81.07041	1.7
83.04933	0.9
84.08119	1.6
85.02897	0.8
91.05463	3.0
93.07004	1.6
95.04962	1.0
95.08591	1.6
103.05453	0.7
105.07034	3.6
107.04923	2.5
115.05437	2.0
117.06995	3.9
119.08552	1.3
120.08092	0.7
121.06451	1.6
128.06219	1.3
129.06966	2.6
131.04881	1.2
131.08554	0.7
133.06459	2.7
134.03625	0.8
135.04420	1.4
137.05945	3.9
141.06960	0.9
142.07773	1.1
143.08501	1.3
145.06454	9.6
147.04384	21.9
147.08044	7.1
149.05939	4.9
152.06107	1.2
154.07770	0.9
157.06447	1.6
157.10109	1.6
159.08044	1.9
161.02342	0.9
161.05959	10.5
163.07542	0.9
166.25250	0.7
167.08557	1.3
169.06578	0.8
170.07176	1.7
171.07962	2.8
173.05956	15.7
174.06599	1.2
175.07512	21.2
176.07886	1.0
177.05406	2.2
179.03397	1.1
179.06990	1.8
185.05975	3.3
185.09575	5.1
187.07483	3.5
188.08318	1.4
189.05426	21.8
189.09056	7.5
191.06992	9.2
195.08034	1.6
198.06732	3.0
199.07526	7.7
200.04561	0.7
200.08212	1.7
201.05434	30.5
201.09007	1.2
202.06003	0.9
203.06970	3.2
203.10703	2.4
207.06485	16.7
211.07550	0.8
212.08334	1.7
213.05475	11.7
213.09035	17.0
215.06993	1.6
215.10599	1.5
217.08513	2.2
219.06490	79.0
220.06862	2.0
221.08034	1.0
223.07539	2.0
226.06294	2.3
227.06944	1.7
228.07773	16.5
229.08514	5.6
231.06532	2.2
231.10086	9.4
237.07732	0.8
241.08537	31.4
242.08824	1.2
247.09619	2.7
249.11217	3.1
259.09619	71.5
260.09851	1.9
277.10651	60.0
278.10974	2.2
295.11707	100.0
296.12097	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	295.1172
Annotation	3alpha-Hydroxy-11beta,13-dihydrodeoxymikanolide
Peak:m/z	Relative Intensity
53.03947	1.1
55.05513	0.9
57.03425	4.7
65.03918	1.2
67.05497	2.9
69.03423	11.3
69.07023	1.9
70.06583	2.5
71.04978	1.4
71.62894	1.1
71.63244	1.0
72.08167	1.1
75.04476	7.6
75.91261	0.9
79.05482	4.6
81.03402	1.2
81.07029	3.0
84.08131	2.2
85.02913	3.5
86.09708	2.3
87.00342	0.9
87.04446	1.7
91.05457	8.3
93.07056	2.3
95.04977	1.8
95.08585	1.7
97.02860	3.0
99.04506	1.1
103.05451	19.7
103.06124	1.4
105.07017	13.3
107.04951	5.3
107.08601	1.1
109.06490	1.5
109.10151	1.1
115.03938	1.3
115.05431	2.4
115.57587	0.9
117.07005	2.5
119.08561	1.7
120.08083	5.1
121.06488	9.7
122.03624	1.0
123.08056	2.7
127.03927	1.4
128.06163	1.7
129.06976	3.4
131.04916	23.2
131.08473	1.4
133.04965	1.9
133.06470	43.9
133.10068	1.3
135.04399	2.3
135.08040	17.6
136.07591	1.5
137.05949	10.3
142.07802	1.8
143.68297	1.0
145.04895	0.8
145.05315	1.5
145.06461	17.2
147.04379	5.7
147.08043	6.4
149.05995	2.6
151.07515	15.2
157.06508	5.5
157.10126	1.7
159.08028	1.5
160.05190	1.5
161.05951	16.3
161.09520	1.3
163.03902	2.8
163.07521	62.1
165.07085	1.1
167.08678	1.7
170.07272	1.1
171.08049	3.1
173.05922	7.2
174.06683	1.2
174.96956	1.0
175.07535	9.6
176.96919	1.4
179.03346	1.9
185.05951	3.5
185.09560	2.6
187.07533	3.9
187.11153	1.1
188.04704	1.2
188.08038	1.1
189.05440	46.0
189.09094	2.9
190.05792	1.0
191.06998	2.6
194.07384	1.0
195.08076	1.5
198.06761	2.3
199.07465	5.7
201.05473	3.7
201.09082	1.2
203.06987	8.9
203.10643	1.6
207.06502	100.0
208.06831	2.4
213.09076	15.6
215.07062	2.4
217.08510	3.4
219.06488	9.9
220.08829	1.7
221.06094	1.8
221.08052	10.7
226.06267	1.0
229.08690	4.5
231.06503	4.4
231.10144	8.2
235.11264	2.9
236.98972	1.4
237.07567	9.8
241.08574	34.8
242.09015	1.0
242.56010	1.0
245.09669	1.0
247.09615	11.3
248.08240	1.0
249.11224	3.3
259.09631	70.6
260.09967	2.3
263.10559	5.5
263.67505	1.0
265.10635	1.8
267.72153	0.9
277.10681	47.1
278.11151	1.5
295.06384	2.0
295.11356	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	294.2059
Annotation	Pramoxine
Peak:m/z	Relative Intensity
52.45189	0.3
58.06584	0.8
63.71254	0.3
67.05499	0.3
69.07053	0.4
70.06582	1.7
70.68220	0.9
70.68568	0.3
72.08123	0.4
76.07614	0.3
81.07027	0.4
84.08128	31.4
86.09682	0.6
88.07619	1.3
96.08114	0.8
97.08907	0.5
105.63087	0.3
107.04933	16.8
108.05245	0.5
116.56620	0.2
121.06468	0.5
128.10692	44.3
129.11066	0.6
133.06422	1.3
136.07564	1.6
136.11972	0.3
142.12242	0.4
144.13794	0.8
170.15352	0.6
191.20634	0.3
218.15427	0.7
232.16904	1.4
276.19522	10.5
287.85498	0.3
294.20581	100.0
295.20911	5.7
318.26727	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.173
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59340	0.6
53.03949	0.5
55.05505	7.3
57.07075	2.4
57.40140	0.6
58.99582	2.3
65.03902	0.8
67.05498	31.0
69.07064	15.4
69.83909	4.1
70.06586	1.5
71.04984	25.6
71.08626	1.5
71.35691	0.6
72.08143	4.4
74.93987	0.7
76.02230	2.9
79.05479	5.9
81.07048	98.4
82.07391	0.9
83.08592	4.4
84.04491	1.1
84.08126	6.1
85.06532	13.5
86.09692	3.6
86.99061	2.3
88.03978	1.4
91.05464	1.3
93.07043	3.5
95.08597	100.0
97.02901	0.9
97.10172	2.2
98.21404	1.3
99.08091	2.4
105.00072	5.6
109.10150	10.2
110.07178	0.7
111.11672	1.3
113.09636	3.5
119.04902	1.6
120.08112	1.3
122.02711	5.6
129.10214	1.6
136.07530	1.0
137.12178	0.8
137.13237	15.5
143.14284	1.2
147.04393	2.9
155.14282	33.7
173.15359	33.3
187.11507	1.7
205.12544	1.3
222.08450	1.6
231.14140	1.6
259.13553	3.8
263.93301	0.8
276.12973	0.8
277.14658	29.7
294.14215	1.1
294.17300	19.6
294.20514	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.1543
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	3.8
55.01846	3.8
55.05510	1.3
57.03414	5.0
61.02922	8.0
69.03423	20.9
69.07050	2.8
70.85587	1.3
70.85920	2.5
71.04971	3.7
71.83080	1.2
73.02911	3.3
79.05492	8.3
81.03419	9.5
81.07047	10.0
83.06101	1.9
83.49050	1.0
84.04474	2.8
85.02895	100.0
87.04423	2.6
89.44467	1.3
91.03951	7.3
91.05466	2.4
93.07018	2.4
95.04934	5.0
97.02283	1.4
97.02880	22.6
97.05899	1.9
97.06515	31.8
98.65573	1.3
99.04422	5.6
102.03657	1.2
103.03879	2.4
107.04932	1.5
107.08585	1.2
109.02857	7.2
109.06532	2.2
115.07547	3.5
120.08109	5.7
121.06470	6.3
123.08102	1.6
125.05952	1.5
127.03895	25.3
132.10165	3.0
135.08049	1.3
139.07529	2.7
145.04938	48.4
151.07458	2.7
159.07973	1.6
163.06000	18.2
163.07385	2.9
166.08591	1.9
177.09146	1.4
180.08601	3.6
181.08563	1.3
214.71184	1.2
241.10675	3.4
266.86609	1.4
276.13281	2.4
277.12366	3.0
294.14874	1.5
297.33502	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.247
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	5.6
57.07076	4.8
57.81498	1.0
59.04984	1.5
62.46573	1.0
62.81430	1.1
65.03930	1.0
67.05495	60.8
69.03386	1.0
69.07053	6.5
69.75069	6.4
70.34055	1.0
71.04961	1.5
79.05477	6.0
81.07046	63.9
83.04951	1.1
83.08606	3.5
85.06531	1.5
91.05462	5.2
93.07028	8.9
95.04952	1.1
95.08592	46.4
97.06526	1.9
97.10139	1.8
98.20735	1.7
101.05988	1.3
105.07013	5.8
107.04976	1.3
107.08606	4.8
108.19532	1.1
109.06511	1.4
109.10143	27.6
111.08087	1.5
115.05437	1.9
117.06988	6.3
119.08550	3.6
121.10135	6.7
123.11696	20.1
131.08540	2.5
133.10097	4.1
135.11690	3.9
137.09625	1.5
137.13234	7.4
145.06444	4.9
145.10083	3.8
147.07965	1.2
147.11705	2.8
149.09602	2.4
149.13257	2.5
151.11182	2.5
151.14757	2.3
153.05316	1.1
159.08037	1.7
159.11659	1.3
161.13252	1.1
163.07568	1.3
163.11142	1.8
163.14835	2.1
165.12708	1.6
173.05919	12.2
173.13232	2.6
175.07542	7.1
177.05426	2.3
179.14288	2.1
187.07521	3.4
187.14754	2.5
191.06978	7.9
191.10663	1.7
199.87613	1.1
203.07002	24.1
204.07259	1.3
205.08603	4.0
205.15761	1.5
209.11734	4.5
215.06947	5.0
219.10271	1.3
221.08060	100.0
222.08376	4.4
229.12332	2.0
233.08060	11.0
233.11620	1.6
237.11263	6.2
243.21065	4.3
257.11621	4.1
261.22122	5.4
269.48151	1.1
275.09872	1.9
275.12744	27.0
275.19864	1.3
293.13812	27.8
293.21173	3.9
293.24664	25.5
294.14026	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	293.2469
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03902	0.6
55.01832	0.6
55.05500	4.6
57.07050	2.3
57.98782	0.5
59.04968	0.7
65.03923	0.8
67.05493	40.7
69.03406	1.4
69.07056	4.9
69.71788	4.8
71.04959	1.1
71.08582	0.7
75.48982	0.6
79.05475	6.2
81.07042	43.4
83.08595	4.1
85.06504	2.1
90.03134	0.6
91.05471	5.3
93.07037	7.6
95.04947	1.5
95.08591	36.7
97.06494	1.8
97.10129	1.7
105.07010	5.0
107.08583	6.1
109.06475	1.0
109.10133	16.3
111.08054	0.8
111.11660	0.6
115.05456	1.5
117.06996	6.0
119.08560	4.5
121.10106	5.0
123.08003	1.7
123.11683	7.7
125.09598	0.7
129.06970	1.6
131.08569	4.1
133.10139	3.9
135.11662	3.6
137.09581	1.5
137.13232	4.6
145.06483	3.7
145.10094	2.9
147.08032	1.0
147.11627	2.1
149.05966	0.9
149.09561	2.7
149.13203	2.4
151.11160	1.2
151.14738	1.8
159.07985	2.0
159.11644	2.9
161.05902	1.5
161.13220	1.8
163.07497	1.7
163.11183	2.3
163.14755	1.3
165.12672	1.1
169.10152	0.7
173.05956	10.3
173.13293	3.0
175.07512	5.1
177.05391	1.1
177.12720	0.9
177.16327	1.2
179.14270	0.9
183.06398	0.6
187.07535	4.2
187.14732	2.0
191.07019	7.3
191.10687	1.2
191.14275	1.3
195.13647	0.8
203.07005	22.9
204.07286	1.0
205.08519	2.8
209.08035	1.4
209.11682	1.1
215.06963	4.8
217.08453	0.9
221.08052	100.0
222.08418	5.4
229.12270	1.4
231.13750	1.3
233.08069	8.6
237.11240	2.6
239.10663	1.0
239.17967	1.0
242.09477	0.9
243.21056	3.4
257.11685	7.0
257.18845	1.5
261.22134	4.1
275.12729	28.0
275.19937	7.8
276.13071	1.9
293.13779	30.5
293.21390	1.1
293.24640	9.3
294.14273	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	293.2106
Annotation	9-OxoOTrE
Peak:m/z	Relative Intensity
53.03939	3.1
53.87293	1.6
55.01871	11.4
55.05505	59.3
57.03429	2.5
57.07056	2.7
59.04972	3.3
67.05495	43.9
67.05856	2.3
69.03406	3.5
69.07063	10.7
69.79755	10.0
70.74476	1.5
71.04977	4.0
73.11076	1.7
77.03929	2.5
79.05482	90.7
81.03391	3.3
81.07046	35.7
83.04967	23.7
83.08613	16.3
85.06548	2.3
91.05463	31.3
93.06459	3.6
93.07030	46.2
95.04961	10.1
95.08588	13.9
97.06503	5.7
97.10155	25.2
103.05463	1.9
103.97037	1.6
105.07016	32.9
107.04188	2.1
107.04935	44.9
107.08578	69.3
109.06496	3.6
109.10143	19.8
111.08044	4.2
117.06995	13.6
119.08578	21.7
121.06516	2.7
121.10133	20.1
123.08074	4.1
123.11662	5.6
125.09611	29.7
131.08568	13.8
133.10095	23.7
135.08009	8.8
135.11650	3.9
137.09521	1.6
141.06853	1.6
145.06474	2.5
145.10094	11.7
146.90987	1.7
147.07957	1.9
147.11661	14.9
149.09598	81.2
150.09903	2.2
153.09062	6.0
157.90179	1.8
159.11697	9.9
161.13222	7.4
163.14790	4.8
167.10704	2.3
169.10071	2.0
169.12184	5.1
171.10115	3.3
171.11642	3.3
173.05965	3.9
173.11676	5.7
173.13213	5.0
187.07584	2.5
187.11174	2.7
187.13199	2.2
189.11189	26.3
191.07062	2.9
203.06972	7.4
209.15359	9.4
215.17838	2.9
221.08067	50.6
222.08333	2.2
229.19534	9.6
233.07973	5.0
239.17767	2.7
247.20618	4.1
257.19003	20.1
275.12924	11.5
275.20020	100.0
276.20340	3.9
293.13837	13.8
293.21069	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	293.2108
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
50.02964	1.0
53.03942	7.1
55.01864	8.0
55.05499	11.7
57.03428	2.7
57.07065	3.7
65.03927	2.1
67.05494	35.9
69.03411	3.8
69.07057	16.4
69.55955	7.7
70.06575	2.4
71.04991	3.9
71.07423	0.9
71.08614	11.3
73.06567	1.3
79.05479	26.7
81.03404	28.0
81.07042	38.5
83.04974	7.4
83.08622	4.7
84.08147	3.5
85.02911	1.4
85.06543	3.0
85.10186	2.4
86.09694	5.3
87.47729	0.9
87.93005	1.1
91.05466	16.8
91.05995	1.3
93.07028	21.2
95.04957	18.9
95.08593	30.8
97.06525	8.1
99.08087	9.6
101.06013	1.0
105.07015	44.5
106.07358	1.8
107.04952	3.5
107.08578	14.8
109.06501	15.1
109.10141	11.1
111.04444	2.4
111.08064	5.7
113.09644	3.0
114.98922	0.9
115.05472	1.6
117.07014	10.4
119.04964	1.0
119.08572	12.9
120.08114	5.1
121.06508	3.6
121.10130	8.6
123.08048	70.5
123.11658	6.1
124.08356	1.2
125.05979	1.2
125.09604	1.5
127.07530	0.9
128.06239	1.1
128.10625	0.9
129.06995	3.4
131.08534	13.5
133.06485	4.9
133.10098	11.4
135.08041	6.1
135.11682	6.4
137.05968	8.0
137.09621	3.5
137.13275	1.8
139.07520	1.9
139.11200	2.8
141.06995	2.8
141.09065	6.1
143.08560	2.7
145.06462	5.5
145.10103	7.0
146.11810	1.1
147.08049	2.6
147.11678	4.1
149.02316	6.7
149.06009	1.2
149.09662	3.5
149.13271	4.0
151.07521	27.2
151.11151	13.8
153.09084	1.2
153.12746	1.5
155.08595	1.3
155.10686	2.4
157.10176	3.1
159.08076	3.1
159.11676	6.6
161.06029	3.3
161.09602	4.6
161.13260	4.2
163.07571	1.6
163.11157	9.5
163.14783	2.6
165.12735	6.3
169.08627	3.3
169.10120	3.5
171.11703	0.9
173.05966	12.8
173.09659	3.7
173.13243	4.9
174.06512	1.2
175.07489	7.2
175.11220	2.0
175.14917	1.3
177.05438	2.2
177.09081	1.2
177.12767	5.5
179.10718	1.7
179.14336	1.9
180.10158	2.0
183.11714	2.0
187.07678	5.7
187.09648	6.7
187.11226	4.1
187.14854	1.4
189.05432	1.1
189.09166	1.2
191.07027	8.0
191.10641	1.5
191.14240	4.9
195.13882	1.4
203.06999	20.9
203.08727	1.6
204.07361	1.2
205.04936	1.1
205.08620	3.1
209.08104	2.1
213.16393	1.1
215.07004	6.7
215.17992	3.9
217.04910	0.9
221.08054	100.0
222.08412	5.2
229.12308	3.6
229.19612	2.7
231.10178	1.5
231.13808	1.4
231.17715	1.9
232.23103	1.3
233.08075	14.3
239.17947	5.7
247.13301	1.2
247.20578	1.2
257.11734	8.2
257.19012	9.0
275.09576	2.0
275.12753	36.1
275.20010	53.2
276.13049	2.4
276.20319	2.3
293.10367	2.1
293.13800	30.9
293.21130	34.6
293.24680	2.6
294.08551	1.0
294.14166	3.0
294.21521	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	293.2106
Annotation	12-OPDA
Peak:m/z	Relative Intensity
53.03907	1.1
55.01825	2.8
55.05505	9.0
57.03407	1.0
57.07025	1.2
63.14073	0.6
64.78787	0.7
65.03906	1.3
67.05496	22.1
69.03391	1.7
69.07057	17.0
69.27159	1.6
69.27564	7.5
71.04939	2.4
72.73041	0.7
79.05486	12.9
81.07045	22.4
81.59916	0.7
83.04961	5.3
83.08603	5.6
84.16137	0.8
85.06512	0.8
91.05466	13.9
93.06485	1.0
93.07029	17.5
94.49167	0.7
95.04963	5.2
95.08595	13.8
97.06474	2.9
97.07043	0.7
97.10125	2.2
99.08032	1.2
105.07015	18.9
107.04950	4.5
107.08585	10.2
109.06507	7.9
109.10133	8.2
111.08044	1.2
117.06997	5.3
117.44592	0.7
119.08557	10.8
121.06490	6.6
121.10118	6.9
123.08034	4.3
123.11671	1.6
124.07687	0.8
125.09567	1.1
129.06956	1.4
131.08553	10.4
133.06459	2.1
133.09229	1.1
133.10112	14.7
135.08002	3.0
135.11687	3.7
137.09563	1.6
143.08487	1.3
145.06454	1.1
145.09183	0.9
145.10109	8.9
147.07961	2.4
147.11664	8.0
149.09564	4.1
149.13219	1.3
151.11160	6.1
157.10109	2.3
159.08038	2.1
159.11694	5.4
161.09566	3.0
161.13206	2.8
163.11139	2.8
163.14812	0.8
169.10049	1.1
173.06010	1.5
173.09526	1.9
173.13194	3.3
175.11189	1.0
177.12643	1.8
183.11662	1.6
185.13132	1.2
187.11076	1.5
189.12633	0.9
191.06812	1.3
191.14278	2.3
197.13301	0.8
201.12663	2.3
203.06924	4.1
207.13792	2.1
215.14171	1.2
215.17949	1.1
219.13751	3.5
221.08061	16.2
229.19473	2.4
231.17296	0.9
233.08147	0.9
233.15289	1.0
239.17862	3.7
247.20534	2.7
257.11719	1.0
257.18988	12.9
258.19263	0.7
275.12711	3.6
275.20016	100.0
275.90399	0.7
276.20343	4.7
293.13852	5.8
293.21054	31.8
294.14063	0.9
294.21426	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2107
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
50.92048	1.4
51.09896	1.4
52.26701	1.4
53.03939	1.5
55.01865	18.8
55.05508	15.2
57.03419	4.7
65.03960	2.1
67.05499	24.8
69.03416	2.0
69.07063	15.1
70.05046	7.7
79.05048	2.6
79.05482	35.5
79.05945	1.9
81.03397	6.1
81.07044	26.5
83.04969	3.4
83.08601	8.0
85.06536	2.4
85.58445	2.1
91.05471	24.4
93.07035	27.0
95.04972	7.9
95.08598	19.6
97.06519	29.3
97.10148	10.2
103.57786	1.8
105.07019	31.6
107.04934	7.8
107.08582	60.7
109.06481	5.8
109.10137	7.6
111.08018	2.0
111.96104	1.6
115.05458	1.5
117.06992	6.9
117.84020	1.3
119.08575	20.1
121.06505	3.7
121.10118	10.8
122.02256	1.7
123.08048	5.1
125.09625	10.6
129.07024	3.7
131.08574	9.0
133.10097	20.3
135.08029	3.7
135.11700	7.1
137.09641	2.6
143.08553	3.7
145.06471	2.8
145.10138	12.4
147.08043	1.8
147.11681	9.8
149.09613	14.2
151.11162	5.1
157.10130	3.2
159.08095	2.1
159.11650	8.6
161.13252	4.8
163.11116	5.0
165.09146	4.0
169.10066	2.1
172.61032	1.4
173.05930	4.1
173.13255	6.4
175.07622	1.9
175.14716	1.6
177.05463	1.8
183.11684	2.2
185.13239	6.0
187.11232	3.3
189.11201	6.8
191.06967	3.1
191.14255	1.7
201.16409	2.1
203.07008	7.8
203.14302	5.7
203.78094	1.6
215.07065	1.4
219.17459	6.9
221.08061	41.0
221.15361	4.2
221.71346	1.6
222.08371	2.7
229.19489	3.0
239.17844	4.6
247.20558	4.5
257.11600	3.7
257.18991	12.5
275.12854	10.5
275.20029	100.0
276.13235	1.8
276.20413	5.4
293.13913	10.5
293.21063	17.2
311.53391	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2103
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03934	4.1
55.01868	8.3
55.05500	16.7
55.65624	1.1
57.03442	2.6
65.03906	1.5
67.05494	36.1
68.32943	1.2
69.03424	2.0
69.07055	13.4
71.04980	2.6
71.07844	3.6
76.73057	1.2
78.27952	1.1
79.05049	2.2
79.05486	31.8
81.03417	5.1
81.07043	51.2
82.07363	1.6
83.04971	5.2
83.08619	9.7
85.06561	1.5
85.40011	1.4
90.76363	1.3
91.05464	23.4
92.88000	1.2
93.07030	25.9
95.04946	9.7
95.08591	23.3
96.72045	1.1
97.06509	14.3
97.10162	7.2
105.07014	26.0
106.07324	1.4
107.04951	8.4
107.08577	30.4
109.06503	12.6
109.10127	10.8
111.08066	3.8
117.06998	10.5
118.71981	1.0
119.08562	19.5
120.75767	1.1
121.06484	3.4
121.10130	13.4
123.08041	6.0
123.11696	4.1
125.09588	7.6
129.07031	2.2
130.23251	1.1
131.08525	11.5
133.10114	19.2
135.08034	4.9
135.11662	7.3
137.09622	4.3
137.13327	1.6
137.25801	1.3
143.08533	2.5
145.06508	2.4
145.10091	13.0
147.08023	2.1
147.11656	14.6
149.09607	12.7
149.13235	2.9
151.11151	6.1
155.08524	1.3
157.10129	2.9
159.11673	7.7
161.05959	1.3
161.09560	1.4
161.13237	4.2
163.11127	8.4
163.14804	1.6
165.09085	3.2
165.12740	3.4
169.10146	2.6
171.11684	3.1
173.05974	3.4
173.09587	1.9
173.13219	6.1
175.07481	3.0
175.11179	2.6
177.09160	1.2
177.12749	2.4
179.14331	1.6
183.11655	1.4
187.07550	2.7
187.11221	2.4
187.14722	1.8
189.11229	4.9
191.07094	4.9
193.12213	1.5
197.13220	3.7
197.33157	1.2
203.07042	10.3
205.08556	1.9
211.14819	1.6
215.07037	4.1
221.08069	44.8
229.19556	5.0
233.08009	3.6
237.14783	1.4
239.17865	6.8
247.20476	6.3
249.18353	1.5
254.95993	1.4
257.11777	3.4
257.18951	14.3
261.06131	3.3
270.06616	2.2
275.12811	14.4
275.20026	100.0
276.13129	1.5
276.20438	3.1
293.13852	14.0
293.21036	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	293.1376
Annotation	Curvularin
Peak:m/z	Relative Intensity
52.16406	0.1
59.04980	0.1
65.03936	0.2
66.81840	0.1
67.05499	0.7
69.03423	0.5
70.64731	0.1
70.65083	0.2
71.04979	0.6
72.12520	0.1
75.30892	0.1
78.04707	0.1
79.05473	0.2
79.81409	0.1
80.56136	0.1
85.06537	0.5
86.79215	0.1
91.05458	1.1
91.05983	0.1
95.04955	0.1
103.05444	0.2
105.03455	0.1
105.07010	1.4
107.04962	0.1
115.05428	2.0
117.06999	3.7
119.04884	0.1
119.08534	0.5
121.06504	0.2
123.08040	0.1
123.69378	0.1
127.05370	0.1
128.06216	0.3
129.06998	0.5
131.04921	0.2
131.08530	0.2
132.05710	0.2
133.06454	0.1
135.04373	0.1
135.08015	0.2
144.05621	0.1
145.06461	5.0
147.08002	0.7
149.05952	1.1
155.05977	0.1
157.06488	0.4
157.07629	0.1
159.08040	0.6
161.05956	1.0
161.09612	0.3
163.07520	1.2
168.96359	0.1
169.10051	0.1
173.05951	11.6
175.07520	6.1
177.05432	1.8
177.09053	0.3
179.08481	0.1
181.08614	0.1
187.05835	0.1
187.07512	2.3
189.05435	0.1
189.09108	0.3
191.06995	7.6
193.08711	0.1
197.09605	0.2
199.07613	0.2
199.10986	0.1
203.06995	22.4
205.08559	1.8
209.08052	1.5
211.11220	0.4
214.09958	0.2
215.07001	1.8
217.08485	0.1
219.10080	0.1
221.08047	100.0
222.08379	0.2
224.08159	0.1
225.09050	0.2
227.06978	0.2
229.12213	1.5
231.10104	0.5
231.13734	0.4
233.08044	4.1
235.09549	0.1
239.10641	0.6
242.09317	0.4
247.13312	0.3
257.11688	4.2
275.10440	0.3
275.12723	16.8
293.13773	24.9
294.14139	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1378
Annotation	Curvularin
Peak:m/z	Relative Intensity
50.05882	0.2
56.24504	0.2
61.37041	0.3
65.03920	0.3
67.05476	1.0
69.03400	0.5
70.26328	1.0
70.57078	0.3
71.04964	0.9
79.05469	0.3
85.06515	0.4
91.05452	0.9
105.07017	1.6
115.05434	1.3
117.07001	4.2
119.08551	0.7
129.06966	0.3
132.79732	0.2
135.07970	0.4
145.06471	4.7
147.08014	0.7
149.05977	1.3
157.06505	0.3
157.17311	0.3
159.07993	0.9
161.05908	1.3
161.09625	0.2
163.07510	1.1
173.05951	11.1
175.07530	6.5
177.05421	1.9
177.08984	0.4
187.07516	2.4
189.09108	0.4
191.07001	7.7
203.06998	23.2
204.07372	0.7
205.08583	2.0
209.08038	1.9
211.11145	0.4
215.06973	2.0
221.08055	100.0
222.08369	3.1
229.12225	1.5
230.39749	0.3
231.10127	0.8
231.13806	0.5
233.08063	4.5
247.13380	0.4
255.11308	0.3
257.11630	4.1
275.12738	20.5
276.13242	1.1
282.99133	0.2
291.87973	0.3
293.13782	28.7
294.14185	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1377
Annotation	Curvularin
Peak:m/z	Relative Intensity
55.87936	0.2
56.38508	0.2
61.64893	0.2
65.03928	0.3
67.05483	0.8
69.03405	0.5
70.74522	0.7
71.04963	0.9
85.06534	0.3
91.05464	0.6
103.05478	0.2
103.54609	0.2
105.06985	1.2
115.05421	1.4
117.06994	3.5
119.08510	0.3
129.06989	0.3
145.06458	3.8
147.08049	0.5
149.05952	0.8
157.06500	0.3
159.08006	0.5
161.05974	1.0
163.07515	0.8
169.42517	0.2
173.05948	9.9
175.07513	6.2
177.05412	1.7
177.09134	0.6
187.07513	2.1
191.06990	7.7
203.06989	22.4
204.07320	0.7
205.08495	1.2
206.46707	0.2
209.08023	1.6
211.11006	0.3
215.06989	1.7
221.08041	100.0
222.08371	3.4
227.07008	0.3
229.12192	1.6
231.10063	0.5
231.13759	0.4
233.08012	2.7
235.09579	0.3
239.10617	0.7
242.09279	0.4
257.11670	3.7
275.12714	15.4
276.13113	0.6
293.13760	28.2
294.14145	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1377
Annotation	Curvularin
Peak:m/z	Relative Intensity
55.05496	2.3
55.31367	0.6
56.15298	0.7
56.27484	0.6
57.07063	1.3
59.04983	1.9
65.70797	0.6
67.05501	5.2
69.03407	2.0
69.07060	2.8
69.98024	1.8
69.98438	1.8
71.08620	0.8
79.05466	2.6
81.03405	0.9
81.07048	5.4
83.01793	0.6
84.08115	0.8
85.06522	0.8
85.10167	1.1
91.05487	4.0
93.07011	2.2
95.04932	1.4
95.08589	3.8
97.06506	1.1
103.05383	0.7
105.07019	5.6
105.17272	0.7
107.08574	1.9
109.06496	1.7
109.10165	1.7
110.70105	0.8
115.05431	1.7
116.06202	0.7
117.07005	6.7
119.08578	2.0
121.10104	1.8
123.08053	2.2
123.11728	0.9
128.06207	1.3
129.06972	3.5
131.08545	2.9
133.06459	0.7
133.10089	1.7
134.59717	0.7
135.11649	1.0
137.05969	2.0
141.06934	0.8
145.06464	7.1
145.10097	1.0
147.08023	1.9
147.11707	1.0
149.02351	2.3
149.06044	1.1
149.09613	0.9
159.08047	5.7
159.11714	0.7
161.05951	6.6
161.09625	4.1
163.07527	3.1
163.11096	0.8
165.09026	0.9
169.10136	0.8
173.05942	14.4
173.07320	1.1
175.07530	9.0
175.11143	1.2
177.05437	2.5
177.09180	1.2
187.07526	17.8
187.11137	0.7
189.09035	3.3
191.07004	8.1
197.09642	1.2
199.07472	1.4
203.06998	24.4
203.10690	1.9
204.07405	0.7
205.04901	0.9
205.08565	12.7
209.07964	1.6
211.11145	1.8
214.09885	0.8
215.07008	27.3
215.17883	0.9
217.08537	2.5
221.08063	100.0
222.08359	3.4
222.82414	1.0
227.07048	1.0
229.12238	6.0
231.10040	1.3
231.13701	3.9
233.08064	43.1
234.08260	1.3
235.09599	2.8
239.10622	2.8
242.09309	1.8
247.13200	2.4
250.41881	0.8
257.09140	1.5
257.11710	20.4
257.18936	1.1
275.12741	87.6
275.19995	2.6
276.13049	2.2
287.44669	0.9
293.06393	2.8
293.13791	37.7
293.20956	3.5
293.24216	0.9
294.14139	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1378
Annotation	Curvularin
Peak:m/z	Relative Intensity
55.01854	1.0
55.05487	1.0
57.03402	0.6
59.04995	2.6
65.03924	0.6
67.05491	3.3
67.70268	0.5
69.03410	3.4
69.07046	1.2
70.42601	1.5
71.04981	0.8
71.08600	0.7
79.05455	2.0
79.71226	0.5
81.03387	1.2
81.07066	2.8
85.06528	0.7
91.05461	3.9
93.07011	1.2
95.04940	0.9
95.08611	2.5
103.05468	0.9
105.07008	4.7
107.04929	0.6
107.08567	1.0
109.06499	1.3
111.04400	0.7
115.05441	2.4
117.06992	5.5
119.08540	1.8
123.08061	3.1
128.06187	1.2
129.06990	4.4
131.04880	2.1
131.08502	2.6
132.79091	0.6
133.06412	0.9
133.10118	0.7
135.08029	1.2
138.29668	0.4
141.06950	0.8
144.05682	0.7
145.06458	7.2
147.04314	0.5
147.08000	2.8
148.05147	0.8
149.05919	1.7
149.09564	0.5
151.07521	1.3
152.94492	0.6
157.06450	1.0
157.07642	0.6
158.07253	0.6
159.08023	8.9
159.09229	0.9
161.05951	7.0
161.09624	5.1
163.07509	2.8
163.11191	0.5
165.12723	0.6
169.10083	0.8
169.12662	0.5
172.05167	0.6
172.08739	0.6
173.05957	17.1
174.03151	0.6
174.06679	0.8
175.06009	0.7
175.07524	10.2
175.11093	0.6
177.05400	1.4
177.09082	1.3
179.08611	0.6
187.05840	1.0
187.07516	21.0
188.08255	1.4
189.09093	3.1
191.07001	9.3
196.08781	0.7
197.09560	1.5
200.04634	0.6
201.08978	1.0
201.12672	0.6
203.06998	29.0
203.10632	3.3
203.14322	1.2
204.07297	1.1
205.04868	1.2
205.08560	15.2
209.08086	0.9
211.11215	2.5
211.75632	0.5
213.09148	0.6
214.09827	0.9
215.06989	33.5
216.07407	1.4
217.08543	3.0
218.05620	1.3
221.08052	100.0
222.08405	2.6
224.08188	0.6
225.09096	1.1
226.09947	0.9
229.12157	8.2
231.10100	1.5
231.13728	4.2
233.08049	53.7
234.08321	1.6
235.09567	2.9
239.10637	2.9
242.09311	2.5
247.13216	3.1
257.11688	24.1
257.14456	1.2
258.11969	1.0
275.12726	99.0
275.19864	1.8
276.13123	4.0
293.13782	40.1
293.20987	1.9
294.14236	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1376
Annotation	Curvularin
Peak:m/z	Relative Intensity
59.04992	2.1
65.00755	0.9
67.05499	1.1
69.03406	4.3
71.02011	3.1
89.57070	0.9
91.05442	2.9
103.05481	1.5
105.07018	2.5
112.49223	1.0
115.05443	3.1
117.07028	6.8
128.06232	1.8
129.06999	3.3
145.06470	8.8
146.62697	1.0
147.08018	3.1
149.05963	1.0
154.23236	1.1
159.08040	7.5
161.05991	8.4
161.09557	4.1
163.07504	3.3
169.10150	1.2
173.05946	15.8
173.09621	1.1
175.07516	9.9
175.11394	1.0
177.05421	2.4
177.09180	1.1
182.07349	1.2
184.48378	1.0
186.06830	1.2
187.07516	22.5
189.09079	3.5
191.06982	9.5
197.09685	1.5
199.07463	1.7
201.12727	1.3
203.07002	25.8
203.10602	2.7
205.08569	16.7
211.11197	2.3
213.09244	1.0
215.06996	35.2
217.08624	2.6
221.08060	94.3
222.08455	1.3
224.08229	1.2
224.52634	1.0
225.08997	1.5
226.09761	1.4
227.06993	1.7
229.12180	8.6
231.13771	5.1
233.08044	52.8
235.09644	2.9
239.10704	4.5
242.09332	1.7
244.78867	0.9
247.13309	3.7
257.11655	24.4
265.02509	0.9
275.12732	100.0
276.13150	2.7
293.13785	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	293.116
Annotation	Eupomatenoid 3
Peak:m/z	Relative Intensity
52.50260	0.5
55.01855	3.8
60.04508	1.3
61.01144	7.8
69.03421	0.5
69.41888	1.1
69.42290	3.8
70.02937	0.6
70.06571	1.1
71.04987	0.9
71.06107	0.7
72.04132	0.9
72.04504	10.8
73.02895	1.9
77.00612	0.5
78.03775	25.9
78.04230	1.2
81.03400	1.6
83.04952	2.0
84.07500	0.5
84.08111	1.5
85.02888	16.5
85.08469	0.6
85.83317	0.5
86.06039	3.3
98.02423	1.0
98.06049	0.6
98.20644	0.9
99.04437	11.4
102.03749	35.5
103.02156	3.7
103.03921	30.2
104.01680	1.5
109.02859	5.2
112.07558	0.7
114.03738	2.8
114.05487	2.6
115.02121	0.7
115.05038	1.5
115.08728	1.3
116.03414	0.8
117.07003	0.6
118.03242	0.9
120.04777	8.3
120.08069	0.6
126.05495	29.1
127.03888	11.0
128.10712	0.8
129.11104	0.6
131.06366	18.6
132.04770	14.6
141.06538	1.7
147.05832	2.4
149.07411	83.8
150.07701	1.8
152.07094	2.7
154.08623	4.0
155.35944	0.5
156.06551	1.2
158.02748	1.3
173.06046	0.6
175.05382	4.2
180.06520	21.4
186.05838	0.7
191.08490	0.7
198.07587	6.4
203.06950	1.4
216.08638	5.2
221.08061	7.9
222.07993	1.4
231.11584	6.6
233.09627	0.7
240.97211	0.5
257.09518	3.0
275.10309	4.1
275.12485	0.9
293.11578	100.0
294.11823	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	293.1016
Annotation	Mikaperiplocolide
Peak:m/z	Relative Intensity
52.80147	1.0
55.05504	9.3
57.03421	1.9
57.07048	0.9
60.14002	0.9
67.05497	9.4
69.01481	0.9
69.03410	7.1
69.07063	7.5
70.06566	1.4
71.04967	3.2
71.08587	1.4
71.61748	1.0
79.05463	5.2
80.22825	1.0
81.03410	2.0
81.07053	10.7
83.04967	3.0
83.08598	1.8
84.08117	3.6
85.02882	2.9
85.06522	2.1
85.08460	1.3
86.09696	3.0
91.05471	4.9
93.07021	7.1
95.04951	5.1
95.08585	10.5
97.06509	3.1
97.10146	1.4
98.98451	1.4
99.04459	1.0
100.11261	1.3
103.05423	2.0
105.06998	6.9
107.04930	2.4
107.08585	6.5
109.06523	1.4
109.10117	6.1
111.08031	1.6
112.74397	1.5
115.05418	1.9
117.07021	7.4
119.08543	4.2
120.08052	3.3
121.06477	2.1
121.10092	4.9
123.08044	2.8
123.11673	3.5
125.09602	1.2
127.03868	1.3
128.06203	1.2
129.06975	2.5
131.04906	5.1
131.08545	3.7
133.10083	3.0
135.04413	2.9
135.07930	1.2
135.11667	1.5
139.01494	1.1
139.11163	1.3
143.08536	1.6
145.06473	13.5
145.10092	4.8
147.04385	2.3
147.07985	2.0
147.11685	2.8
149.02307	10.8
149.05972	2.1
149.09534	1.9
151.07484	1.4
151.11162	1.3
153.07018	1.5
155.06006	1.2
155.08510	4.5
157.06467	1.2
158.07257	1.4
159.08009	4.3
159.11665	2.1
161.05904	3.0
161.09549	1.2
161.13229	2.5
163.07513	1.8
165.07002	3.0
172.81647	1.0
173.05960	15.2
173.09579	8.9
175.07521	7.1
175.11101	1.2
177.05281	1.5
177.06580	4.8
179.03485	1.6
183.07980	6.4
187.07506	6.9
187.14908	1.6
189.05412	3.9
189.09045	1.4
191.07033	7.0
191.10643	1.2
199.03931	2.0
201.09058	29.3
203.07010	22.5
203.10574	1.5
205.08594	3.3
207.06506	2.9
211.07501	15.9
212.08115	1.6
213.05380	2.6
214.06250	5.0
215.06934	6.8
219.06511	1.9
219.10126	3.1
221.08054	97.7
228.07767	4.0
229.08560	93.9
230.08890	1.8
231.13638	1.1
233.08005	9.0
239.06874	1.1
247.09607	100.0
248.09996	2.2
257.08054	15.9
257.11652	5.4
257.18912	1.5
275.09076	89.8
275.12677	24.3
275.20007	5.0
276.09445	1.7
293.10248	4.0
293.13739	28.8
293.21027	6.1
293.24683	2.9
299.92633	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.0627
Annotation	Unknow
Peak:m/z	Relative Intensity
54.69100	1.0
56.53911	1.0
65.38846	0.9
69.53702	6.4
69.54121	2.6
84.73336	1.0
99.52690	1.0
112.89594	1.5
134.85040	1.1
161.99481	3.5
185.38463	1.0
210.31174	0.9
228.21890	1.1
232.92201	1.7
241.26991	1.1
293.06271	100.0
294.06720	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.0542
Annotation	1,3-Dinitropyrene
Peak:m/z	Relative Intensity
55.01852	1.2
55.05494	1.2
55.07767	0.8
55.31710	0.9
56.54046	1.1
56.96560	31.3
57.03398	3.6
61.02893	4.7
63.58153	1.0
65.61187	1.1
69.03432	6.7
69.03735	1.6
69.96652	4.2
69.97061	2.3
70.06598	5.6
70.98111	1.3
71.04964	1.1
72.08117	3.1
73.02875	2.8
81.03384	2.1
84.04465	2.7
84.08134	15.1
85.02895	12.5
85.08444	1.1
86.09656	3.4
87.04445	2.3
91.03953	1.0
95.04971	1.2
97.02876	7.2
98.97569	7.0
99.04457	1.6
101.00813	2.8
103.90894	1.0
109.02892	1.4
110.07137	2.0
110.97497	3.3
112.99119	47.9
115.02375	3.8
116.98629	4.9
119.01911	10.0
119.04894	1.4
120.08076	1.8
127.03940	5.0
128.98596	8.3
129.10229	2.4
130.08572	1.8
131.00162	97.5
131.01804	7.8
133.02531	1.8
133.03453	22.5
134.03555	1.4
134.99583	2.5
136.06204	1.3
136.07512	3.2
137.02922	1.4
138.96962	1.1
142.52113	1.0
143.01842	4.7
145.03410	3.5
145.04822	2.5
146.99623	8.4
147.04364	4.2
149.01207	86.5
151.04449	4.7
154.01741	3.8
154.99869	1.2
155.01851	2.6
156.98033	3.6
157.03394	2.6
159.03195	2.1
159.05022	16.2
161.01144	2.9
161.02863	11.1
161.07082	10.4
163.03856	5.0
165.00674	2.6
167.02289	11.0
170.99640	1.5
172.02708	3.5
172.97511	2.0
173.02930	8.7
174.97691	1.5
174.99135	26.9
175.02711	11.0
175.04369	2.5
177.00667	2.2
177.02333	1.4
177.06059	9.2
183.04971	2.9
184.04704	1.4
185.02849	3.2
187.04353	1.6
189.00703	2.3
190.98596	6.8
191.02187	1.7
191.03851	4.2
193.00198	47.1
193.03818	37.2
195.03403	1.5
195.07129	9.6
201.05978	2.8
202.57309	1.3
203.03992	6.3
203.07616	5.0
204.02727	1.7
205.00099	1.7
208.99553	3.4
211.01160	3.6
211.04880	30.8
211.06651	1.4
213.02348	1.3
216.05467	1.7
217.00114	1.2
219.01605	1.6
219.03517	2.3
219.07108	1.3
220.10059	1.7
221.04994	3.1
221.08598	5.1
223.01172	1.6
229.05843	1.2
231.03468	2.7
231.07108	18.6
232.99583	5.4
233.04865	3.0
234.06165	1.6
237.02635	1.7
245.05051	2.8
247.06471	1.6
247.10515	1.4
249.08116	2.6
251.00572	2.8
260.09738	2.8
263.00806	1.4
263.06219	2.4
270.04926	1.0
275.06430	16.7
293.05301	100.0
293.19232	5.1
293.23016	1.9
294.05585	1.2
302.10693	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	292.1902
Annotation	cyclopentolate
Peak:m/z	Relative Intensity
55.18934	0.2
56.05019	0.4
58.74035	0.2
59.51411	0.2
70.06583	10.6
70.37312	0.2
70.70154	0.6
83.07324	0.2
84.04475	0.7
84.08133	4.4
96.08122	1.0
98.09684	0.7
100.07590	1.3
107.04935	6.4
110.09680	1.1
118.81655	0.2
121.17734	0.2
126.09156	1.6
130.05043	0.3
136.11180	1.1
140.10616	0.2
141.45702	0.2
145.06442	0.5
148.11136	0.2
149.07449	0.2
152.10687	0.7
154.12199	0.4
168.13802	0.5
184.13277	0.5
184.56935	0.2
203.11188	0.2
219.06073	0.2
221.08060	0.2
227.57564	0.2
244.16951	2.1
274.17975	8.2
292.19022	100.0
293.19351	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	291.2313
Annotation	sterculynic acid
Peak:m/z	Relative Intensity
51.35433	0.7
53.03948	4.3
55.05503	15.8
57.07069	3.8
57.95225	0.7
59.04987	1.1
65.03919	1.6
67.05495	35.1
69.07057	18.3
69.19054	0.9
73.06536	1.1
79.05482	74.1
80.05806	0.9
81.07045	44.7
83.04954	2.6
83.08604	8.0
85.06523	2.8
91.05468	28.1
93.07029	100.0
94.07345	1.4
95.04958	5.4
95.08588	29.5
97.06495	2.7
97.10150	5.1
99.08039	1.0
105.07009	17.5
107.08579	56.5
108.08887	0.8
109.06496	3.1
109.09462	1.1
109.10149	14.2
111.08072	1.6
117.06997	3.5
119.08563	16.2
121.10125	46.1
122.10476	0.8
123.08070	3.0
123.11672	3.7
125.09608	1.5
129.06984	2.3
131.08557	6.6
133.10121	14.5
135.08009	2.5
135.11668	54.6
137.09552	2.2
143.08521	2.2
145.10109	4.9
147.11665	12.9
149.09579	3.3
149.13232	31.7
151.11177	1.4
157.10130	3.2
159.11664	6.9
161.09636	1.3
161.13242	8.4
163.11177	2.2
163.14799	10.3
171.11630	4.2
173.13268	3.6
175.11128	1.6
175.14798	6.1
177.12749	2.4
177.16342	1.3
181.12173	1.0
185.13210	3.6
188.92358	1.7
189.12712	2.6
191.14265	1.0
195.13654	1.0
199.14856	2.7
203.14314	2.1
209.15366	2.0
213.16382	1.9
217.19475	2.7
217.57249	0.8
221.15292	1.7
231.17284	1.0
231.21037	1.7
235.16920	2.9
241.19472	6.5
244.94987	1.2
249.18520	2.8
259.20511	10.7
291.23132	79.5
291.88599	0.9
292.23413	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	291.2314
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02341	0.8
53.03922	3.2
55.01862	1.2
55.05257	1.3
55.05503	16.8
57.03458	0.9
57.07049	1.5
59.04975	1.0
65.03924	1.7
67.05495	35.8
67.05859	1.7
69.07054	15.2
69.44455	8.8
71.08597	0.9
79.05479	66.3
81.07043	44.0
83.04970	2.0
83.08600	8.2
83.90343	1.0
84.08126	5.2
85.06516	2.6
91.05467	23.9
93.07029	100.0
93.22813	0.8
94.07335	1.6
95.04966	5.1
95.08595	28.7
97.06499	2.4
97.10158	5.6
98.98459	1.2
99.08073	1.6
102.54433	0.9
105.04461	1.4
105.07015	14.7
107.08578	55.7
109.06519	3.3
109.09455	1.2
109.10139	15.3
111.04369	1.0
111.08103	1.2
115.83916	0.9
117.06999	3.7
119.08554	15.0
121.10123	47.7
122.34068	0.8
123.08017	2.7
123.11674	4.6
125.09624	2.3
127.12289	1.6
129.06941	2.4
131.08528	7.0
133.10106	12.1
135.08031	1.6
135.11665	54.6
136.12059	1.1
137.09569	1.7
139.11165	1.8
143.08559	2.2
145.10092	5.3
147.11674	8.2
149.09552	2.9
149.13231	31.7
151.11104	2.0
157.10097	3.1
159.11700	7.0
161.13260	6.6
163.11143	4.6
163.14806	10.1
165.12810	1.2
171.11681	3.9
173.13251	2.7
175.11140	2.6
175.14781	4.3
177.12752	2.5
184.55466	1.0
185.13235	4.0
189.12737	2.3
195.13850	1.1
199.14786	3.1
203.14148	1.3
209.15314	1.5
213.16339	2.3
217.16023	1.5
217.19530	2.2
221.15381	2.2
231.17357	1.5
231.21057	1.1
235.09572	3.1
235.16934	2.0
241.19440	4.8
249.18443	3.5
259.20465	7.6
274.21661	0.9
291.23138	77.6
292.23495	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	291.2065
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26085	0.2
52.09117	0.2
55.01872	0.4
55.05499	0.7
56.05026	0.8
56.96561	4.2
57.03427	0.6
58.06595	3.2
60.04519	0.3
61.02915	0.5
62.65816	0.2
67.05501	0.3
68.38692	0.2
69.03423	1.2
69.58205	1.6
70.06588	3.7
71.04984	0.4
72.08131	0.7
73.02911	0.5
74.06081	0.2
75.29740	0.2
79.05485	0.5
81.03402	1.1
81.07028	0.3
82.06579	0.7
83.04954	0.2
83.06074	0.3
84.04493	0.8
84.08136	100.0
84.96021	0.9
85.02885	2.3
85.08473	1.2
86.06023	0.2
86.09702	1.0
87.04433	0.2
87.10030	0.3
88.03980	0.3
91.02491	0.2
91.05447	0.3
96.08119	2.2
97.02885	0.9
97.22401	0.2
97.61874	0.2
98.09691	0.6
98.97571	2.5
98.98483	0.3
99.04444	0.5
100.99094	0.2
101.00850	0.7
101.06033	0.6
103.02444	0.7
103.05442	0.3
104.05312	0.4
107.04942	4.4
109.02857	0.7
110.07168	0.4
110.09681	0.6
110.97591	0.4
111.04452	0.5
111.08075	0.3
112.99082	0.3
114.05518	0.3
116.98629	1.9
118.06887	0.4
119.01910	1.8
120.08060	0.5
121.01643	1.4
121.03464	0.4
123.04466	0.3
124.99122	0.4
127.03900	1.0
127.12306	28.8
128.12637	0.4
128.98595	0.7
129.05460	0.5
129.10214	0.6
130.04982	0.4
130.08604	0.2
131.00166	0.7
131.01894	0.8
132.95813	0.3
133.03452	1.2
134.99631	1.0
135.03233	0.3
135.04408	0.3
136.06186	0.3
137.02957	0.5
137.05980	0.6
139.02661	0.5
139.03770	0.2
143.00125	0.8
143.01900	0.4
144.13884	0.4
145.03453	0.5
145.05020	0.4
146.99634	0.8
147.01396	0.5
147.03285	0.3
147.05176	0.2
147.06442	0.2
149.01215	1.0
149.02879	0.4
151.04518	0.3
153.00749	0.3
154.94249	0.3
155.01918	0.3
157.03508	0.6
158.99612	0.6
161.01228	2.1
161.02760	1.2
162.99115	0.6
163.02713	0.3
163.03839	1.2
165.00783	0.4
167.02319	0.3
168.05092	0.3
170.99658	0.5
171.01405	0.2
173.02982	0.8
174.99182	0.6
175.04547	0.5
175.09026	0.3
177.00766	1.2
179.02242	0.4
181.00162	0.3
185.02946	0.3
186.99103	0.3
187.02789	0.2
187.04506	0.3
189.00671	0.7
189.02466	1.5
189.04010	0.3
190.96246	0.3
190.98642	0.4
191.02260	0.3
191.03981	0.5
193.00186	1.3
193.01756	0.3
193.03763	0.5
196.77512	0.2
200.54636	0.4
201.02460	0.4
201.05156	0.2
203.02272	0.3
203.03999	0.5
204.13753	1.0
205.00217	0.3
205.03772	0.3
207.01712	0.3
208.99725	0.6
209.03018	0.3
213.06113	0.4
217.01926	0.3
219.01761	0.6
219.03525	0.4
219.07130	0.2
221.05080	0.4
223.01160	1.1
227.00639	0.3
229.01971	0.5
230.95976	0.4
231.01563	0.3
231.03542	0.6
233.08148	0.2
237.02785	0.5
246.14896	0.4
248.99103	0.5
249.04620	0.4
267.00305	0.7
267.03879	0.4
273.19595	12.4
274.17770	1.6
291.00507	0.4
291.04199	0.4
291.08334	3.6
291.13159	0.4
291.20663	14.1
292.18866	1.6
309.05130	0.4
309.08484	0.8
311.09970	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1951
Annotation	Ecklonialactone A
Peak:m/z	Relative Intensity
55.01857	1.2
55.05299	0.8
55.05503	9.2
57.07060	2.8
59.04992	2.6
67.05482	4.3
69.03421	2.5
69.07039	2.8
69.96795	5.6
71.04972	3.3
74.06062	2.3
79.05484	9.1
81.07047	8.5
83.04963	3.1
83.08604	8.6
84.08133	7.8
85.02882	1.3
85.06522	2.0
91.05466	4.8
93.07038	13.3
95.04963	6.8
95.08601	16.2
97.06516	4.7
105.07021	7.9
105.84377	1.1
107.04936	14.9
107.08582	9.3
108.05744	1.1
109.06534	7.2
109.10136	2.9
111.04425	1.0
111.08068	39.4
113.09646	2.1
117.06990	1.8
119.08559	9.4
121.06515	2.7
121.10124	6.4
122.07248	2.0
123.08056	37.2
125.09612	3.5
127.12288	1.9
129.06956	1.9
131.08537	7.4
133.06488	3.2
133.10127	8.9
135.08028	5.4
135.11702	2.2
137.09581	3.2
143.08546	1.9
145.10098	4.9
147.08023	2.3
147.11691	4.8
147.51463	0.9
149.09589	8.2
149.13234	1.0
151.07523	100.0
155.08557	1.1
155.10669	4.6
156.09326	1.9
157.10083	5.4
159.08046	1.0
159.11681	1.9
161.09592	2.8
161.13142	1.3
163.11147	4.2
165.09030	1.2
169.12268	1.0
171.11649	2.6
173.09608	1.3
173.13255	8.7
174.10352	1.8
175.11188	5.8
177.09116	2.0
179.10648	3.9
181.12149	2.0
182.10982	1.1
187.14764	1.9
189.12718	28.2
191.10524	1.5
191.14281	16.2
192.11418	4.0
195.11670	1.1
197.11687	18.1
197.13309	1.2
205.12027	1.0
207.13776	67.3
211.13232	1.8
213.16217	1.7
215.14287	3.9
217.12216	3.1
228.23201	4.5
229.23543	30.5
231.17406	2.2
233.15329	56.7
235.13309	2.3
249.18437	1.9
255.17365	3.0
273.18451	9.0
273.26135	2.2
291.19501	80.9
291.27106	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1948
Annotation	Ecklonialactone A
Peak:m/z	Relative Intensity
53.03910	0.8
55.05511	4.8
57.03405	1.2
57.07048	3.7
58.13641	0.9
59.04974	3.6
60.68846	0.9
62.33998	0.8
67.05479	5.4
69.03397	1.1
69.07051	2.1
70.24315	3.6
71.04961	3.3
73.55539	0.9
75.66718	1.0
79.05478	7.5
81.07051	7.4
83.04942	2.6
83.08614	4.4
84.08126	10.0
85.06502	3.2
91.05459	4.9
93.07024	11.3
95.04932	3.5
95.08587	15.5
97.06507	4.4
98.20818	1.3
105.07010	10.6
107.04952	6.6
107.08564	8.3
108.05699	1.2
109.06497	9.4
109.10126	4.1
111.04468	0.9
111.08057	30.4
113.05953	1.2
113.09615	1.7
117.06984	3.0
119.08558	9.9
121.06453	2.2
121.10143	7.2
122.07275	1.3
123.08038	36.3
123.11642	1.5
125.09599	1.2
127.12259	2.4
127.44822	0.9
131.08543	7.6
133.06494	3.5
133.10103	9.0
135.08017	8.1
135.11626	4.5
137.09579	5.8
141.07056	0.8
142.07726	1.6
143.08485	2.4
144.09277	0.9
145.10075	16.9
147.08035	4.1
147.09164	1.0
147.11656	10.3
149.09584	6.6
149.13287	1.1
151.07509	100.0
155.08588	1.0
155.10635	3.0
156.09352	1.8
157.10120	5.7
158.10851	2.2
159.07977	2.2
159.11638	6.4
161.09531	4.6
161.13206	2.6
163.11116	5.5
169.10118	1.4
171.11684	5.8
173.09596	1.3
173.13228	6.8
174.10379	1.5
175.11153	4.4
177.09090	2.3
177.12708	3.7
179.10638	5.5
181.12129	1.6
185.13197	1.9
187.11096	6.0
187.14764	2.1
189.12698	30.4
191.14282	7.2
192.11372	3.3
193.12088	0.9
197.11679	19.6
197.13251	2.7
197.71039	1.1
199.11252	1.1
203.14212	2.5
205.12228	1.6
207.13760	70.7
213.16318	3.4
215.14305	6.9
217.12248	2.8
219.06433	1.7
229.15872	1.5
231.17438	3.2
233.15297	23.8
233.17462	1.6
235.13283	2.7
249.18553	1.1
255.17349	3.1
256.95013	0.9
273.18402	12.2
291.12366	3.0
291.19476	70.7
292.19888	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1222
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93900	0.8
53.03936	1.9
55.01858	3.7
55.05503	12.4
57.03432	6.3
57.07059	3.9
58.06586	2.0
59.04980	2.1
61.02916	5.0
65.03921	1.2
66.56174	0.6
67.05494	15.3
69.03412	3.2
69.07056	63.8
69.31828	5.9
69.32238	1.0
70.06578	2.1
70.07403	0.9
71.04977	3.5
71.08631	1.7
72.08141	1.0
77.03908	0.9
79.05478	22.9
81.03413	2.1
81.07043	39.0
83.04970	1.6
83.08604	10.3
84.04481	1.3
84.08128	45.1
85.02901	2.0
85.06541	5.5
85.10209	0.6
87.04450	0.8
87.08100	1.9
89.03902	6.0
91.05468	6.7
93.07027	16.5
95.04953	4.5
95.08591	34.0
96.08134	1.1
97.06516	99.9
97.10133	4.0
98.06824	1.0
98.98433	1.0
99.08089	1.9
103.05474	0.9
105.03396	1.2
105.07015	8.9
107.04942	4.1
107.08572	18.0
108.12933	0.6
109.02894	3.0
109.06500	2.9
109.10146	19.6
109.10908	1.1
111.08056	7.8
111.11699	3.7
112.08794	0.8
113.09605	0.7
115.05459	0.7
116.98520	0.9
117.03354	7.8
117.07040	1.2
119.08568	5.8
121.06467	1.1
121.10128	12.7
123.08031	1.8
123.11686	15.5
125.09608	1.9
125.13307	0.7
125.33646	0.7
127.03893	1.2
127.11307	0.7
127.12287	13.6
129.07004	1.6
129.09138	3.9
129.10060	0.9
131.08542	2.6
133.02831	4.5
133.10104	4.6
133.99055	0.6
135.04385	11.2
135.08061	1.9
135.11659	9.5
137.09602	1.8
137.13237	7.8
139.11160	2.7
141.06978	1.1
142.07762	0.8
142.16354	0.6
145.02821	8.6
145.06477	1.2
145.10121	2.5
147.04401	1.6
147.11673	5.0
149.05882	0.7
149.09630	1.0
149.13229	8.3
151.11156	1.0
151.14818	1.4
153.12740	4.1
157.06451	1.7
157.10106	1.3
159.04402	7.7
159.08029	1.4
159.11644	1.2
161.02312	33.0
161.09544	0.9
161.13211	3.3
163.03879	60.7
163.14777	4.3
164.04254	1.0
165.09090	0.8
165.12700	1.6
165.16388	1.6
167.14299	0.8
169.06349	1.0
171.11658	1.4
173.02316	68.2
174.02718	0.7
175.14816	1.9
177.16347	3.7
180.48442	0.7
181.16010	0.9
183.19402	1.1
185.05956	3.6
185.13181	0.8
186.03114	2.0
187.03839	1.1
187.07524	1.7
188.01703	0.7
189.16327	1.9
191.03369	5.8
191.17911	1.7
195.08086	0.9
195.17378	0.7
197.05997	0.8
199.04016	0.9
199.07399	0.9
203.08524	0.7
203.17969	1.4
205.05005	0.7
213.09154	1.6
215.06990	100.0
216.07336	2.3
217.04810	1.1
217.19475	2.0
217.76396	0.7
229.19904	2.3
233.08017	6.3
241.08580	9.7
248.08313	0.8
255.17159	0.8
259.06946	0.8
259.09616	14.2
273.11166	3.3
273.19519	5.4
273.25671	4.4
276.07788	0.8
291.09491	1.5
291.12540	11.2
291.16040	1.3
291.20419	7.9
291.26727	27.2
292.06213	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	290.2689
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	1.0
56.05026	9.1
57.07065	7.2
58.06297	0.5
58.06588	5.3
60.04526	1.7
67.05487	0.8
68.05000	0.7
69.03420	6.4
69.07048	0.8
70.06573	1.5
71.08621	4.2
74.05646	0.6
74.06066	9.5
79.05455	0.5
81.07030	0.8
82.06540	0.4
84.08128	6.1
85.10172	1.2
86.06043	1.3
88.07616	31.6
91.05453	0.9
93.07045	0.8
95.04897	0.4
98.98475	0.7
100.07617	0.6
104.07108	0.6
105.07005	0.8
107.04939	1.7
107.08614	0.4
115.05468	2.4
117.07010	1.2
118.08634	6.5
122.08131	5.7
123.11559	0.4
127.12303	1.3
131.04921	0.7
133.06471	0.7
135.11696	0.4
138.05482	1.2
146.07233	1.2
151.07510	0.7
161.05974	0.6
162.09123	0.5
173.06078	0.6
175.07500	0.5
187.07527	0.6
189.05476	0.5
201.09157	0.5
202.07718	0.5
203.06960	0.9
203.08582	1.2
203.10538	0.6
207.13795	0.5
217.12257	1.0
221.08002	2.4
227.10721	0.7
228.23129	2.0
229.12315	0.5
230.09491	0.7
231.08047	1.5
231.10133	0.8
237.05615	0.4
242.24747	38.2
243.25108	0.9
245.11661	3.0
246.14812	0.4
246.22276	1.1
249.11235	1.1
255.10204	0.9
259.07507	1.3
263.12793	1.5
272.25854	2.1
273.11209	3.7
273.19391	0.5
290.18054	2.3
290.26907	100.0
291.09869	3.0
291.12692	9.0
291.20038	1.1
291.27524	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	290.2684
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	3.3
56.04778	0.2
56.05022	2.7
57.07050	0.7
58.06591	1.2
62.06064	0.9
67.05476	0.8
69.07050	3.4
70.06563	1.0
70.93591	0.6
71.04987	0.3
71.08611	0.3
73.46636	0.2
74.06066	7.0
79.05459	0.6
81.07032	0.8
82.52855	0.2
83.08598	1.7
84.08129	2.9
85.06530	0.2
88.07602	0.6
91.05460	0.4
93.07011	0.6
95.08595	1.0
97.06499	0.3
97.10130	0.5
98.09670	0.4
105.06998	0.5
107.04899	0.7
107.08604	0.3
109.10078	0.2
111.08079	1.3
119.08564	0.5
123.08024	1.2
127.12258	0.3
127.42956	0.2
128.48962	0.2
130.22131	0.2
131.08440	0.2
133.03172	0.5
133.10051	0.2
135.08066	0.2
140.59554	0.2
145.10062	0.2
147.11652	0.3
151.07532	3.6
157.39368	0.2
164.27551	0.2
166.17665	0.2
184.20558	0.6
189.12669	0.7
191.14299	0.6
196.20488	0.4
197.11714	0.4
204.10252	0.2
207.13754	2.0
210.22185	1.2
228.23178	100.0
229.23495	2.0
233.15347	1.5
244.20842	0.3
272.25803	6.9
273.18393	0.4
290.17969	0.3
290.21405	3.2
290.26831	12.9
291.19489	2.4
291.27075	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	290.2479
Annotation	17a-Aza-D-homoandrost-5-en-3beta-ol
Peak:m/z	Relative Intensity
52.67641	0.1
55.05485	0.3
56.05009	0.4
57.07050	0.5
58.06574	0.5
62.06402	0.1
65.04343	0.2
66.96568	0.1
67.05484	0.3
69.03434	0.2
69.07031	0.6
69.60444	0.3
69.60853	1.1
70.06573	0.4
71.04956	0.2
74.06045	0.5
79.05458	0.3
79.58965	0.2
81.07043	0.9
84.08134	1.0
88.07623	1.4
91.05434	0.7
93.05776	0.3
93.07039	0.8
94.06523	0.4
95.08570	0.7
98.20700	0.2
105.07022	1.9
106.06529	0.5
107.04888	0.3
107.08549	0.6
110.05981	0.3
115.05434	0.3
117.06968	0.4
118.06522	8.1
118.08630	0.2
119.07307	5.4
119.08531	1.1
120.08109	1.5
121.06468	0.5
122.08080	0.2
127.12246	0.3
129.06970	0.3
131.08498	0.7
132.08078	1.0
133.08815	0.2
133.10120	0.4
134.09605	0.2
135.08023	0.3
138.05432	0.3
143.08508	0.7
145.06348	0.2
145.08975	0.2
145.10078	0.6
146.09651	0.2
147.07964	0.3
147.11560	0.2
157.10118	0.6
159.11656	0.5
160.11282	0.2
161.09573	0.2
161.13199	0.3
162.09114	10.8
163.09889	2.9
164.10713	0.4
175.07481	0.2
175.14775	0.5
176.10707	0.6
185.13235	1.1
187.14722	0.2
203.14282	1.3
213.12764	0.3
228.23286	0.9
231.13716	0.7
235.01549	0.2
242.24802	1.1
244.02037	0.5
246.22145	20.5
247.22437	0.5
249.14790	0.7
251.53255	0.3
253.48663	0.2
263.04102	0.2
272.23578	0.4
273.11172	0.2
290.24680	100.0
291.15802	0.6
291.19525	0.8
291.24963	2.7
303.84503	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	290.2475
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07047	0.4
55.04116	0.5
56.04781	0.5
56.05033	8.1
57.07065	6.6
58.06597	4.8
60.04509	1.8
65.03951	0.5
67.05497	2.4
68.05019	0.5
69.07048	1.3
70.06580	1.0
71.04968	0.6
71.08614	3.4
71.62559	0.4
71.62941	0.6
74.06071	8.0
79.05465	0.9
80.04998	0.5
81.07021	1.2
81.63694	0.5
82.06544	1.2
84.08128	6.4
85.10156	0.8
86.06052	1.5
88.07616	26.7
91.05469	1.2
92.87125	0.5
93.06991	1.0
95.08587	0.7
97.06529	0.4
97.88357	0.4
104.07100	0.4
106.06528	0.7
107.04923	1.5
107.08542	0.8
110.06026	7.5
111.04401	2.8
111.08102	0.5
115.05415	0.8
117.98624	0.4
118.06521	9.0
118.08626	5.7
119.07314	5.1
120.08113	2.8
122.08106	4.7
123.04411	0.6
127.12291	1.1
132.08083	1.2
135.11678	1.0
138.05479	23.9
139.05840	0.5
144.08012	1.1
162.09113	14.1
163.09911	3.7
164.10719	0.7
176.10664	1.4
196.08984	0.4
228.23186	1.8
231.06277	0.5
235.01436	1.2
242.24750	30.7
243.24982	0.5
244.02032	1.1
246.22131	25.6
247.22354	0.9
251.53265	0.6
272.16483	0.8
272.25797	1.6
273.11322	0.8
273.19623	0.6
287.70886	0.6
290.18143	4.1
290.24686	100.0
290.27042	54.5
291.01874	0.5
291.09973	1.4
291.12704	0.9
291.20218	0.9
291.24655	3.9
291.27740	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	290.2321
Annotation	N-Nonyldeoxynojirimycin
Peak:m/z	Relative Intensity
55.01854	0.5
55.05501	3.7
57.03434	0.6
57.07054	1.2
67.05485	1.9
69.03410	2.4
69.06707	0.6
69.07055	6.6
70.06577	7.3
70.35168	0.7
70.35567	0.8
71.04989	0.4
72.08139	0.4
73.30680	0.3
79.05481	0.6
81.03411	0.5
81.07056	2.8
82.07350	0.5
83.08606	4.5
83.84637	0.3
84.04494	3.7
84.07610	0.6
84.08128	9.8
85.02881	0.7
85.94036	0.3
86.06052	9.0
87.04454	17.3
93.07023	1.3
95.08586	2.4
97.06551	0.5
98.06039	55.9
99.06361	0.7
100.11211	0.3
102.05553	0.5
103.03939	0.5
104.07102	0.8
105.07005	0.4
107.04917	1.3
107.08573	1.1
108.08881	0.5
109.10152	1.0
111.08087	0.4
112.07600	0.9
113.25482	0.3
119.08568	0.8
121.10133	0.6
123.08073	0.4
123.11658	0.6
126.05484	0.8
127.03938	0.5
127.12300	2.6
129.01817	0.4
133.10065	0.4
135.08029	0.4
135.11679	0.5
137.13354	0.3
140.03236	0.4
142.15891	10.5
210.18488	8.8
228.19550	100.0
229.19888	3.2
241.03317	0.3
272.22162	18.5
273.19321	1.2
273.22415	0.8
290.08908	2.0
290.17706	1.7
290.23206	43.1
291.12415	0.5
291.20145	1.5
291.23602	1.6
291.26590	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	290.1747
Annotation	3-Ethyl-1,3,4,6,7,11b-hexahydro-9,10-dimethoxy-2H-benzo[a]quinolizin-2-one
Peak:m/z	Relative Intensity
53.59465	0.3
55.05487	1.2
56.73435	0.3
69.03423	0.5
70.06586	24.9
71.04986	9.0
71.06929	0.8
71.07281	0.9
72.08151	2.8
82.06571	22.2
84.04493	0.7
84.08134	46.5
90.39963	0.4
96.08156	0.6
97.06498	1.4
100.07607	28.7
101.07877	0.6
107.04944	29.5
108.05297	0.7
120.08094	1.9
121.06432	0.6
122.09662	1.1
123.04402	2.3
124.11203	2.4
126.09157	0.9
129.06651	0.4
129.10231	0.6
136.11201	0.7
203.10600	0.5
212.00871	0.4
219.04271	0.7
246.14842	1.1
272.16440	10.5
273.16919	0.4
290.17471	100.0
291.17801	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	290.232
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82962	0.3
55.05262	0.4
55.05505	5.1
56.04775	0.4
56.05022	3.9
57.03413	0.5
57.07059	1.3
57.15656	0.3
58.06591	5.9
58.16791	0.3
62.69397	0.3
67.05479	1.1
68.99754	0.3
69.07058	3.6
69.49359	0.3
70.06586	1.9
70.66906	1.0
71.08585	0.4
74.06045	0.4
81.03403	0.5
81.07027	2.1
83.08614	6.0
84.04494	6.6
84.08129	4.7
85.02865	0.9
87.00797	0.4
88.07606	0.4
90.05516	0.9
91.05466	0.5
93.06989	0.4
95.08592	2.0
96.08135	0.3
97.10152	2.7
98.09682	3.0
102.05539	0.6
103.03908	1.3
104.10732	0.8
106.07289	0.3
107.04927	0.9
107.08588	0.4
109.10049	0.5
112.11212	1.9
118.06524	0.8
126.05482	1.1
127.12312	0.6
132.10165	1.2
136.06169	8.7
150.11235	1.1
168.06564	0.3
168.17451	0.8
176.14293	2.8
182.19025	33.6
183.19304	0.9
189.03838	0.3
191.08560	0.4
192.09375	0.5
202.07780	1.4
203.08539	2.0
219.06216	0.6
219.08174	0.7
220.08867	0.7
228.19560	100.0
229.08557	0.4
229.19872	2.7
230.07260	0.4
231.08067	3.6
232.08888	0.7
247.07515	0.8
248.08292	2.4
258.06836	0.5
259.07581	3.7
260.08255	3.5
263.10532	1.0
272.07623	0.4
272.22183	3.9
273.11191	1.3
273.19415	0.3
275.90491	0.4
276.07773	1.8
290.08636	2.2
290.20432	5.8
290.26740	5.3
291.10083	13.4
291.20294	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	290.1746
Annotation	Mesembrine
Peak:m/z	Relative Intensity
51.08903	0.4
53.03948	0.4
54.00901	0.4
54.08250	0.4
54.31731	0.4
55.05484	0.5
56.05023	0.9
62.61235	0.4
70.06586	3.7
71.04985	4.5
71.06070	0.5
71.06367	0.4
77.03922	0.4
79.05463	0.5
80.05001	0.7
82.06565	12.9
84.08129	19.5
86.06043	0.4
93.07005	0.8
96.08122	0.8
96.80816	0.3
97.06501	1.3
98.09685	3.5
100.07600	11.1
107.04938	82.6
108.05273	1.1
108.08096	0.5
111.07339	0.6
111.08064	6.5
118.54375	0.4
121.06499	1.6
122.09624	2.3
123.08037	2.0
124.11179	1.8
126.09127	1.3
128.83942	0.4
132.08394	0.7
133.06520	0.7
140.10672	2.1
146.78021	0.4
149.05991	0.4
199.11148	2.4
203.10628	0.8
217.12198	5.3
228.13809	2.9
229.12141	0.7
233.09412	0.4
246.14859	26.1
247.15103	1.1
272.16397	6.0
279.77893	0.4
290.17453	100.0
291.17773	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	290.1747
Annotation	Mesembrine
Peak:m/z	Relative Intensity
51.94416	0.4
53.61915	0.4
55.05490	0.9
56.05033	2.5
56.96557	0.4
57.07071	2.8
58.06577	2.2
60.20329	0.4
65.03924	1.4
67.05491	9.4
69.07066	4.1
69.54224	3.5
70.06589	1.0
71.08624	0.7
74.06076	2.6
76.19441	0.4
79.05480	2.3
81.07045	1.8
82.06569	3.4
83.04955	0.6
83.08640	0.6
84.08135	0.8
88.07618	10.0
91.05467	0.7
93.03383	1.1
93.07027	3.7
95.08587	1.1
97.06519	2.4
98.21455	0.9
105.07014	0.6
106.15938	0.5
107.04914	0.7
107.08550	2.1
109.06464	0.7
109.10115	1.0
110.06025	32.5
111.04420	7.8
118.06498	3.7
118.08611	1.0
119.07333	2.1
120.08104	0.5
122.08128	1.6
123.04401	1.2
133.10092	0.7
135.11668	3.9
137.05978	0.6
138.05481	100.0
139.05795	0.8
141.59654	0.4
149.52234	0.5
153.12740	0.5
162.09134	3.7
163.07529	1.3
163.09932	1.2
177.45557	0.5
215.89830	0.4
226.11136	1.6
228.23212	1.5
242.24753	9.9
244.12206	1.1
246.22134	9.6
248.45804	0.6
267.46024	0.5
270.39349	0.5
290.14508	0.9
290.17688	7.8
290.24701	33.5
290.27039	20.9
291.09964	0.9
291.24838	0.6
297.14264	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.2368
Annotation	10,16-Dihydroxy-hexadecanoate
Peak:m/z	Relative Intensity
55.05504	20.0
57.07075	10.2
67.05495	13.3
68.64423	2.2
69.07059	32.1
70.06596	12.6
70.10416	8.8
71.08620	2.7
77.75469	2.0
79.05491	7.4
80.87409	2.1
81.07051	25.3
83.04940	2.1
83.08598	21.5
84.08120	2.2
85.06523	3.6
88.07617	22.2
91.05448	7.3
93.07030	14.7
95.08588	24.3
97.06520	4.2
97.10160	21.6
99.08060	3.2
102.09176	7.4
105.07011	7.8
107.08590	10.5
109.06494	2.2
109.10128	13.7
111.08049	4.2
111.11702	10.7
119.08547	7.5
121.06535	2.5
121.10131	10.1
123.08031	2.4
123.11668	8.8
125.09600	3.3
125.13285	4.1
127.03871	2.6
133.10124	6.0
135.08015	4.0
135.11697	9.6
136.06175	4.6
137.09566	3.5
137.13196	3.3
139.11122	4.2
140.59950	2.1
147.07834	2.2
147.11662	4.8
151.14752	2.6
159.08057	4.1
161.13205	6.5
165.12686	2.9
175.14851	3.3
179.14337	2.7
193.19443	3.7
217.19504	19.8
228.23207	41.5
235.20543	17.0
253.21550	11.0
272.25818	3.1
289.18011	10.8
290.26865	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.2155
Annotation	17beta-Hydroxy-2alpha-methylestr-4-en-3-one
Peak:m/z	Relative Intensity
53.03921	1.3
55.01842	1.2
55.05500	18.9
57.03400	1.0
57.07071	3.0
58.43204	0.6
59.04972	0.8
63.00020	0.6
63.08601	0.7
66.03301	0.6
67.05489	12.4
69.03400	2.4
69.07057	11.4
70.06582	1.0
71.04968	1.9
71.08611	1.4
71.57727	0.9
73.06531	1.3
73.51357	0.5
75.57327	0.5
79.05050	1.0
79.05478	16.1
81.07040	17.6
83.04936	0.9
83.08599	6.6
84.05308	0.7
84.08126	0.7
85.06508	2.2
91.05464	20.0
93.06462	1.1
93.07027	17.8
95.04951	3.1
95.08583	12.8
97.06496	1.9
97.10151	4.2
98.98392	0.7
103.05450	1.4
105.07008	32.5
107.04910	1.0
107.08569	16.5
109.06498	5.9
109.10129	4.3
111.08047	1.4
113.05972	0.7
115.05447	1.3
117.06996	6.3
119.08556	27.1
121.06480	15.9
121.07343	0.9
121.10113	6.0
123.08034	2.6
123.11711	2.0
125.09615	0.7
127.03908	2.5
129.06993	1.7
131.08537	13.1
133.06459	1.0
133.10107	13.5
135.08029	10.7
135.11661	4.2
137.09570	0.9
141.07022	0.7
143.08525	2.6
145.10101	12.6
146.93558	0.6
147.08003	2.4
147.11673	11.8
149.09590	3.2
149.13187	2.7
151.11160	0.8
155.08493	2.2
156.09000	0.7
157.10065	2.5
158.49614	0.6
159.07997	1.0
159.11641	9.3
161.09569	2.1
161.13222	8.9
163.11140	8.9
163.14780	1.9
165.12746	2.6
167.14194	0.7
169.10133	2.0
171.11656	2.3
173.09589	1.1
173.13232	5.9
175.11171	1.1
175.14734	3.9
177.12712	15.2
178.13089	0.7
183.11627	3.0
185.13130	0.9
187.11186	0.9
187.14787	1.7
189.12758	1.4
189.16319	1.8
191.14386	2.9
194.69061	0.6
197.13211	2.6
201.11018	0.6
201.12752	2.6
201.16338	0.9
203.14255	1.0
205.15872	1.8
209.60741	0.6
211.14839	1.5
212.78639	0.6
215.14362	1.3
215.17877	1.2
229.15775	1.3
233.15187	1.5
233.22566	0.6
239.17903	2.5
243.21120	2.5
247.16942	1.0
253.19394	1.3
257.19016	3.8
261.22095	20.7
271.20432	5.3
274.20380	0.6
289.21567	100.0
289.27048	5.4
290.17169	0.8
290.21964	6.4
297.15250	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1639
Annotation	asc-DeltaC8
Peak:m/z	Relative Intensity
55.01846	3.8
55.05488	9.0
58.02761	3.2
58.79991	3.5
66.46954	3.1
67.05485	9.6
69.07050	11.7
69.88319	3.4
70.74197	4.6
70.74547	11.9
71.04975	11.1
79.05485	14.8
81.07043	33.0
83.04963	16.1
83.08610	5.1
85.06524	6.8
91.05466	8.9
93.07021	39.2
95.04949	15.8
95.08585	34.9
97.06506	22.3
99.04436	15.8
105.06998	29.3
107.04925	4.3
107.08576	22.5
109.06496	27.9
109.10114	5.2
111.08047	25.6
113.06006	6.5
119.08585	14.3
119.47032	3.1
121.06485	61.9
121.10117	5.0
123.11685	6.7
125.05952	8.1
127.07516	7.7
129.06979	4.5
131.08499	4.6
133.10132	19.8
135.08060	8.3
137.05972	4.2
139.07495	17.2
142.07780	4.9
143.07010	10.4
147.11653	40.9
151.11186	4.5
157.08591	9.2
157.10040	6.3
159.06487	13.9
161.13257	10.7
165.12718	14.5
166.07687	4.0
169.12146	20.7
171.11694	13.2
175.11166	29.0
189.12663	18.7
193.12207	27.6
199.11139	20.8
207.13730	21.2
211.13197	28.5
217.12198	90.4
229.14284	17.0
235.13249	100.0
253.14305	58.8
271.15442	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1639
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.7
55.01855	6.0
55.05494	8.3
64.39935	2.5
67.05494	16.3
69.03413	9.9
69.07055	15.3
69.42396	21.4
71.04984	14.0
72.80923	2.2
79.05481	22.2
81.03398	7.9
81.07042	43.6
83.04966	15.1
83.08595	7.5
84.04492	21.3
84.08134	5.6
85.02886	11.6
85.06527	7.4
91.05489	12.0
93.07029	59.3
95.04966	17.5
95.08597	42.1
97.02914	4.6
97.06503	30.2
99.04440	30.4
103.03916	6.9
105.07021	34.4
107.04939	6.1
107.08569	28.5
109.02863	7.3
109.06506	28.3
109.10123	5.9
111.04430	3.8
111.08054	18.6
113.06013	6.3
119.08572	18.8
121.05627	4.5
121.06487	66.0
121.10087	5.8
123.04388	4.5
123.08035	8.1
123.11682	13.2
125.05963	14.1
126.05485	5.3
127.03883	22.9
127.07517	10.8
129.01811	2.8
129.06979	4.1
131.08534	6.6
133.06435	3.4
133.10138	19.5
135.04379	3.0
135.08000	11.6
139.07504	20.5
139.11095	2.8
141.05443	2.4
142.07724	2.8
143.07022	8.5
143.08533	8.4
145.10075	7.8
147.08020	4.1
147.11676	46.0
148.11992	3.9
149.09602	5.9
149.13237	3.1
151.11192	7.1
153.01807	3.2
153.09058	2.9
157.08641	12.4
157.09991	13.4
159.06528	15.1
161.13234	11.0
163.86218	2.7
165.12729	15.9
169.12228	21.1
171.11636	13.7
173.09578	2.7
175.11153	32.0
189.12715	22.8
191.14302	2.5
193.12224	37.4
199.11145	20.8
207.13719	16.7
211.13255	35.1
217.12193	91.2
218.12564	3.8
225.14842	4.6
229.12395	2.9
229.14267	16.1
235.13255	100.0
236.13593	3.7
253.14301	65.4
253.16801	4.9
271.15259	5.7
289.06009	15.5
289.18027	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	289.0914
Annotation	Dianthoside
Peak:m/z	Relative Intensity
53.03932	0.4
55.01866	0.4
57.03428	0.4
61.02929	1.1
69.03419	1.5
70.49243	0.2
71.61140	0.4
73.02877	0.3
74.82906	0.2
81.03399	0.7
85.02895	4.6
86.09685	0.3
87.04445	0.5
91.03956	0.3
97.02881	1.5
99.04459	0.3
109.02854	0.9
127.03899	100.0
128.04247	1.4
145.04944	0.8
165.72026	0.2
200.49219	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.04
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01847	1.2
56.96554	2.8
57.03440	1.3
61.02908	1.4
69.03401	1.5
70.06599	5.8
70.78011	3.0
71.06894	1.0
72.08134	1.9
74.06051	1.1
81.76982	0.9
82.99856	1.5
84.08138	3.4
85.02917	2.3
86.09699	2.3
86.80892	0.9
95.19549	1.0
97.01412	1.0
97.02894	1.9
98.97585	1.9
101.00872	22.4
105.00326	1.1
109.02869	1.0
112.99163	1.3
115.02431	10.1
116.98561	2.3
119.01906	100.0
120.02016	3.1
127.03882	3.2
129.03987	3.4
129.10197	1.4
131.00188	2.0
131.01898	9.8
133.03448	30.3
135.05006	1.2
137.01930	2.1
137.02942	27.6
138.03200	1.1
142.03520	1.9
143.01851	7.9
144.99826	2.1
145.03421	6.1
147.01411	1.9
147.05042	3.5
149.01166	1.7
149.02936	3.4
149.06750	0.9
151.04524	7.6
157.03476	3.9
158.99623	1.0
159.01396	1.3
161.02943	38.0
161.04300	1.8
161.06613	1.2
162.03012	1.4
163.04497	3.0
168.99797	5.3
171.01335	7.5
173.01471	1.5
173.02907	8.1
174.99107	1.4
175.00815	1.3
175.04619	2.1
175.11862	1.3
177.00813	1.1
177.02391	2.1
179.03973	4.6
184.04579	1.4
185.02916	5.8
187.00867	22.4
187.04532	3.5
188.01041	1.1
189.02417	10.7
191.03981	9.5
193.00363	1.1
196.99316	2.4
199.00891	8.7
199.04526	1.8
201.02455	3.7
203.04033	2.1
205.01930	18.2
207.03537	2.6
215.00317	22.7
217.01939	16.1
219.03511	9.9
221.05075	1.2
223.02986	6.2
229.01817	6.6
229.05550	1.5
231.03525	1.3
233.01366	3.2
235.03030	1.9
237.04520	1.2
247.02992	25.0
248.08186	1.7
248.22220	1.0
259.03058	3.5
265.03979	7.7
277.04050	3.6
289.03961	6.8
289.07401	10.1
289.20547	4.1
307.05096	8.0
307.08755	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	288.1803
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03867	1.2
53.04092	0.5
55.01790	1.0
55.05415	4.3
55.05703	1.2
56.96468	3.5
57.07004	1.0
60.04424	0.6
67.05392	3.5
68.04933	0.8
69.03318	3.5
69.06960	21.7
69.07378	3.1
70.06487	4.6
70.06895	1.1
70.07326	1.0
70.14209	1.8
70.14621	1.3
71.04880	2.4
71.81477	0.6
72.08064	1.2
73.02808	2.7
74.02352	0.9
74.97510	1.1
79.05389	1.5
81.03295	3.1
81.06939	5.0
82.07285	0.7
83.04879	1.3
83.08527	1.3
84.04391	3.1
84.08039	1.9
85.02787	4.1
85.06472	1.2
86.02319	2.0
86.05989	0.8
86.09587	8.9
86.10152	1.0
86.77953	0.7
87.05512	0.6
87.09919	4.9
88.03872	11.1
88.04451	1.1
91.05379	1.6
93.06937	2.5
94.07310	0.7
95.04863	0.7
95.08485	2.7
96.08054	0.6
96.08820	0.6
97.02769	3.2
97.06433	1.2
98.21449	1.2
99.00693	0.7
99.04445	4.3
100.03973	3.9
102.05529	5.0
103.03941	4.2
105.06910	2.1
107.04860	1.1
107.08450	2.1
109.02861	2.9
109.06461	0.7
109.10040	2.5
110.09602	0.6
110.10425	0.8
111.04384	0.7
111.11607	1.9
112.02075	1.1
114.05449	1.2
117.06878	1.1
119.00047	1.1
119.08499	1.3
120.08007	0.8
121.02808	0.7
121.06385	1.1
121.10036	1.9
122.03097	0.8
123.04319	0.6
125.05896	0.7
126.12685	0.7
127.03898	11.3
128.03322	0.6
128.07007	1.5
128.10698	3.7
128.14233	2.6
129.11043	3.1
129.12553	0.6
131.08435	1.0
132.10155	2.8
133.10417	0.9
135.11589	0.8
138.12759	18.8
139.12976	1.8
142.08498	2.4
145.04900	1.8
145.10077	0.7
147.11592	1.4
150.99046	1.7
151.11284	0.6
152.14227	1.1
153.01703	2.6
154.15791	1.2
156.10088	1.6
156.13748	0.9
157.10367	0.9
169.00105	1.5
173.13135	0.6
177.00543	0.8
180.13890	3.2
180.15135	0.7
184.13309	21.3
185.13483	1.9
186.02101	1.1
187.06020	1.0
193.12228	1.2
198.14876	19.6
198.16689	1.5
199.15198	0.9
217.12082	1.0
226.14360	15.3
226.17845	0.9
227.14554	1.6
235.13290	2.2
243.04407	0.9
243.17027	1.4
244.15384	100.0
245.15733	2.5
264.98550	0.9
279.13385	0.8
279.63635	0.6
288.05829	24.3
288.15793	2.0
288.20856	1.3
288.24194	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.221
Annotation	Hexadecanedioic acid
Peak:m/z	Relative Intensity
50.11430	2.9
53.03931	3.7
53.94042	3.1
54.26846	2.4
54.52467	3.0
55.01863	3.3
55.05502	24.5
57.03417	2.7
57.07069	5.1
62.87733	2.9
64.48045	2.8
67.05493	40.1
69.03419	3.7
69.07053	34.1
70.06560	10.5
71.04957	8.0
71.08607	2.7
71.57153	3.0
79.05466	22.2
81.07043	76.6
83.04948	11.1
83.08626	19.2
84.08142	6.2
88.03962	5.3
88.97549	3.0
91.05456	16.7
93.07030	37.4
95.04961	6.4
95.08588	69.3
97.06525	14.3
97.10139	10.6
98.98457	4.3
104.75700	3.3
105.04447	3.7
105.06992	13.1
107.04961	3.5
107.08577	13.5
109.10146	37.9
111.08051	7.5
111.11642	3.3
112.24825	2.6
119.08567	7.7
121.06470	17.0
121.10111	28.8
123.11658	11.0
123.52188	3.0
129.05486	4.2
131.08528	9.3
133.06471	8.6
133.10091	9.7
135.11688	9.0
137.13167	6.1
139.11116	9.0
145.10130	7.0
147.11641	4.0
149.09601	3.3
149.13213	5.5
155.01845	3.9
157.10197	2.8
159.07977	10.9
159.11737	4.7
171.01364	9.4
171.11635	4.2
173.09517	4.5
173.13246	3.7
175.67673	2.9
177.05386	3.5
185.09572	4.0
187.13158	3.3
195.13737	3.2
197.20941	4.0
203.12825	4.8
207.06387	3.9
215.17908	14.3
229.04852	3.2
233.19026	24.1
243.21355	15.2
251.20006	100.0
252.20377	3.4
261.13196	5.2
269.03210	4.4
269.15359	3.8
269.18546	4.2
269.21033	32.7
270.24194	7.1
287.05429	27.0
287.09070	14.0
287.16718	6.0
287.20032	12.7
287.23608	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	287.2001
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14147	1.0
53.03920	1.9
55.05491	4.4
57.07052	1.7
62.75594	1.0
63.00032	1.1
63.28412	0.8
67.05506	5.8
68.99773	2.1
69.03409	2.0
69.07044	4.1
70.06568	3.6
71.04955	1.2
71.62621	1.6
71.83958	0.9
72.08140	1.0
79.05479	3.4
81.03392	1.7
81.07050	4.5
83.04939	1.6
83.08588	2.8
84.08119	2.0
85.06535	1.5
87.04445	1.5
91.05469	5.2
93.07037	4.4
95.04958	4.6
95.08589	6.0
97.06499	3.5
97.10130	1.1
98.06011	2.9
98.98442	2.0
105.03405	1.9
105.07007	7.2
107.04938	2.0
107.08582	8.0
109.02859	1.0
109.06515	2.8
109.10143	4.5
111.00764	1.6
115.05344	1.0
117.07009	2.5
119.08561	6.7
121.02849	5.5
121.10132	7.3
123.08063	1.4
124.99995	1.2
125.09663	1.4
125.74729	1.1
129.07002	1.8
130.07689	1.3
131.08527	6.2
133.10094	5.0
135.08006	1.8
135.11642	1.6
137.02309	1.9
137.09602	1.4
142.07730	2.5
143.08601	4.9
144.09305	1.4
145.06432	1.5
145.10107	6.3
147.08080	1.6
147.11671	2.6
149.09579	3.5
151.02739	1.1
153.01808	10.4
153.07030	1.6
155.08536	2.0
156.09299	2.1
157.10106	7.1
158.10844	1.4
159.08006	1.5
159.11697	6.5
161.05894	0.9
161.09618	2.3
165.01865	3.0
169.10080	1.4
170.10893	2.4
171.04411	1.2
171.11714	5.1
172.12424	1.2
173.09578	1.8
173.13231	6.3
175.01579	1.1
175.14832	1.1
183.11728	1.6
185.06010	1.7
185.13292	4.5
186.14030	1.5
187.11168	1.5
187.14789	2.8
189.12735	1.7
195.11667	2.0
203.14290	2.4
207.06488	2.1
209.13298	1.3
211.14813	1.8
213.05507	3.3
213.12703	4.6
224.96417	1.4
227.14308	1.2
227.17932	1.2
229.15881	2.9
231.06451	1.8
231.10155	1.4
231.13741	3.0
239.70322	1.1
241.04955	1.3
241.19670	2.4
241.23546	1.1
243.21461	6.5
258.05154	1.7
269.07993	1.4
269.18970	13.8
287.05481	100.0
287.08859	6.0
287.16855	1.8
287.20166	29.3
287.23788	4.2
287.26785	1.2
288.05807	6.9
288.08972	1.6
288.15945	2.0
303.88748	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1963
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.9
55.01863	1.2
55.05507	6.3
56.05018	0.8
56.76866	0.5
56.96560	2.0
57.03434	0.9
57.07067	1.1
60.04513	0.9
66.19601	0.5
67.05499	6.3
68.99780	1.6
69.03422	1.9
69.07056	18.1
69.94522	0.6
70.06585	2.3
71.04987	3.9
72.04499	0.9
72.08150	0.5
73.02894	1.2
74.02434	0.5
79.05478	4.1
81.03401	1.9
81.07045	9.9
83.04957	4.4
83.08604	2.7
84.04498	1.5
84.08122	1.8
85.02904	0.7
85.06528	3.1
85.78378	0.5
86.02425	0.9
86.09695	70.2
87.05583	2.5
88.03988	1.9
91.05474	4.5
93.07021	6.5
95.04967	2.9
95.08597	6.9
96.08064	0.6
97.02883	0.7
97.06520	1.8
98.06053	0.5
98.98466	0.7
99.04449	1.1
100.03976	1.5
101.06025	3.0
102.05525	2.0
105.03374	0.9
105.07031	5.5
107.04958	1.5
107.08582	5.6
109.02864	1.4
109.06521	1.5
109.10146	6.0
110.06010	0.5
111.00792	1.5
111.04460	0.5
111.08046	1.4
111.11710	1.2
113.06083	0.5
114.05502	0.6
117.06999	0.7
119.08563	3.0
121.02870	5.2
121.06514	0.9
121.10123	4.2
123.08059	1.1
123.10863	0.5
123.11658	2.7
127.03902	1.8
128.07040	0.7
128.10699	40.8
128.14377	2.0
129.06989	0.8
131.08551	1.6
132.10188	19.7
133.02847	0.8
133.10103	4.0
135.04509	0.5
135.08057	0.8
135.11685	2.0
137.02307	1.8
138.12767	11.0
140.14334	2.1
141.06976	0.6
142.07684	0.7
142.08685	0.8
143.08507	0.6
145.06422	0.8
145.10106	2.2
147.04401	0.9
147.11656	2.1
149.09637	1.1
149.13280	1.1
151.11145	2.8
152.14334	0.6
153.01804	8.9
154.15913	1.1
156.10181	10.9
157.06473	1.3
157.10107	1.1
159.11707	2.0
161.13254	0.9
163.11113	1.0
165.01845	2.2
165.09082	0.5
165.12733	0.7
169.00261	0.7
169.08502	1.1
169.12234	1.7
171.11662	0.6
173.09531	0.5
173.13222	0.9
177.05240	0.6
177.12688	0.8
177.16351	0.7
180.13811	2.1
183.02887	2.0
184.13306	11.0
185.05861	1.1
185.13264	1.1
189.16373	1.1
193.12212	0.7
197.16437	3.6
198.14850	6.3
199.14673	0.9
201.16391	0.8
209.11668	1.1
213.05466	2.8
213.16293	0.5
215.18135	0.5
226.12270	0.4
226.14339	8.5
227.12891	2.6
231.06537	1.0
233.19093	0.6
241.04915	1.2
241.13484	0.8
241.15971	0.5
243.17021	34.2
244.12915	0.9
244.15407	18.6
244.17758	1.0
251.12775	1.2
251.20181	0.5
258.05203	1.8
259.06122	0.8
269.12741	3.0
269.18112	0.9
269.22751	1.0
287.05466	100.0
287.13846	5.0
287.16815	1.8
287.20096	1.4
287.23663	7.8
288.05780	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	287.1482
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20937	1.9
53.03941	3.0
55.01849	3.0
55.05485	7.8
57.07066	2.1
59.36535	2.0
66.73675	2.1
67.05502	11.1
69.03432	11.7
69.07056	24.4
69.74635	10.5
69.75041	4.3
70.06584	17.4
71.01325	3.1
71.04983	21.8
72.08123	8.1
73.06515	2.2
73.63023	1.9
79.05485	18.8
81.03407	3.3
81.07047	35.2
83.04979	20.0
84.08118	8.5
85.02905	2.9
85.06528	16.1
86.09694	13.1
91.05454	18.5
93.07029	43.2
94.06558	3.6
95.04955	56.8
95.08578	9.8
97.06513	30.9
99.04436	19.9
105.07011	30.9
107.04926	8.2
107.08558	25.1
109.02925	2.2
109.06471	24.2
111.04407	3.7
111.08080	4.2
111.11676	3.4
113.05967	8.7
115.07549	2.9
117.07005	9.3
118.06538	16.6
119.04893	2.6
119.07242	4.3
119.08572	14.2
120.47343	2.1
121.02816	7.7
121.06489	9.1
121.10117	37.8
122.06027	4.1
123.04443	3.3
123.08090	3.0
125.05960	41.6
127.07535	12.7
129.10197	3.4
130.07762	2.4
131.08548	24.0
133.06447	5.3
133.10146	3.8
135.08000	7.8
135.11694	10.3
137.05949	10.9
139.07527	5.3
139.11165	13.5
140.07065	4.8
141.06941	2.9
143.07007	52.5
143.08492	6.3
144.09311	2.7
145.06502	5.4
145.10097	59.0
146.06017	12.9
147.06720	5.9
147.07950	3.6
148.07515	10.8
149.09543	3.6
149.13341	2.7
151.07492	5.7
153.01768	8.2
153.05402	2.8
153.12718	2.7
155.06985	7.4
155.08295	2.1
159.07956	4.5
159.11687	18.7
161.09622	3.2
163.07515	4.1
163.11154	24.4
165.01831	2.4
169.10036	4.4
173.09610	17.6
177.12666	3.9
181.12207	23.6
183.02757	2.7
187.11165	41.5
189.09062	2.4
191.10643	39.6
199.13353	4.2
205.12196	47.4
209.11699	35.5
213.05499	3.4
214.12280	3.3
215.10608	22.0
223.13335	6.4
233.11700	32.1
242.11780	8.1
243.14899	11.1
251.12747	27.4
269.13727	15.9
270.11240	13.5
287.05444	100.0
287.10449	4.6
287.13855	14.6
287.17062	6.5
287.19901	2.7
288.05765	7.6
288.15863	5.0
301.77213	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1484
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01850	7.0
55.05499	12.1
57.07041	6.2
67.05489	19.8
69.03410	19.5
69.07056	43.8
69.74797	31.7
70.06585	11.5
71.01345	5.7
71.04997	37.6
79.05479	28.8
81.07043	49.9
83.04966	40.9
85.06519	26.2
86.09682	6.7
89.02376	5.0
91.05453	19.4
93.07040	66.2
95.04951	94.6
95.08580	11.8
97.06522	42.1
99.04460	33.1
105.07009	52.2
107.04923	15.7
107.08573	36.7
109.06512	30.3
111.11698	7.7
113.05980	9.4
114.09167	5.8
117.06984	14.0
119.08559	30.5
121.02853	5.6
121.06475	13.3
121.10123	64.2
123.04404	10.3
125.05959	50.3
127.07539	16.0
129.06978	5.3
131.08505	26.0
133.06516	5.9
133.10133	8.7
135.08046	6.3
135.11650	14.6
137.05919	18.6
139.07491	11.1
139.11128	20.0
141.05359	6.0
143.07007	82.0
143.08157	7.3
143.08545	7.8
145.06436	6.5
145.10100	100.0
149.09598	10.4
151.07529	13.6
153.01743	6.9
153.12741	5.8
155.07025	12.0
159.08029	7.6
159.11696	32.9
161.09660	5.2
163.11151	44.4
173.09586	31.9
177.12732	9.4
181.12170	40.4
187.11179	70.5
191.10663	63.6
197.09810	4.6
205.12218	77.3
209.11716	59.5
215.10646	39.8
223.13303	8.9
233.11670	51.9
251.12753	57.5
269.13928	27.7
287.05444	57.8
287.10242	6.3
287.17184	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	287.1483
Annotation	Tensyuic acid E
Peak:m/z	Relative Intensity
53.03953	4.1
54.31895	2.4
55.01856	5.4
55.05501	19.5
56.96541	7.6
57.03419	4.6
57.07058	4.9
63.00028	3.7
67.05486	26.3
68.88775	2.5
69.03417	10.2
69.07053	46.2
69.59874	19.8
70.06568	7.7
71.01344	5.4
71.04983	25.7
72.06570	3.0
72.08154	4.4
79.05479	31.9
81.03394	9.2
81.07040	77.3
83.04969	28.9
83.08599	12.8
84.08112	5.9
85.02876	3.9
85.06522	22.0
86.09689	100.0
91.05463	25.9
93.07031	70.9
95.04951	63.7
95.08594	36.6
97.06515	35.7
97.10128	4.5
98.21438	5.7
99.04427	21.0
100.70367	2.5
105.03387	4.2
105.07012	43.5
107.04919	10.2
107.08576	44.6
109.06496	26.7
109.10148	18.2
111.08068	6.7
111.11694	5.2
112.08491	2.7
113.06005	13.1
115.60986	2.6
117.07008	13.1
119.08550	28.7
121.06479	13.7
121.10117	59.7
123.08033	5.6
123.11671	9.8
125.05965	46.5
127.07526	12.3
128.10689	61.4
129.05472	4.2
129.06960	4.2
130.07761	4.8
131.08533	28.7
132.10175	27.5
133.06502	3.8
133.10115	11.9
135.08054	7.7
135.11681	21.3
137.05948	12.5
137.13206	4.2
139.07510	6.7
139.11131	14.6
143.07018	47.7
143.08527	11.4
144.09326	4.9
145.10086	70.4
147.08025	5.0
147.11652	14.0
149.09587	9.1
149.13275	6.5
151.07512	11.3
153.01863	6.2
153.05447	3.9
155.07024	7.6
156.10205	16.1
157.10085	6.4
159.08041	4.2
159.11635	26.8
160.97687	3.2
161.09596	6.3
161.13240	4.6
163.11153	26.6
167.10739	3.3
169.10112	8.5
171.11673	4.6
173.09583	24.0
173.13382	4.7
175.14737	4.1
177.12779	5.9
179.10648	3.0
181.12212	18.4
185.13138	3.3
187.11163	38.9
189.12720	4.9
191.10631	43.8
198.35638	2.8
199.13255	4.1
201.16272	4.2
205.12192	39.6
205.19627	3.3
209.11662	40.2
215.10629	25.2
215.18004	3.6
223.13313	5.8
223.20560	3.9
233.11671	34.8
251.12689	30.1
251.19986	3.9
269.13803	15.8
269.18640	3.3
269.22736	5.2
287.05447	73.3
287.13559	4.7
287.16708	5.4
287.20010	11.4
287.23642	33.1
288.05774	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	287.0545
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.2
55.01864	0.2
55.05502	0.2
58.22358	0.1
65.03925	0.3
67.00053	0.1
67.01847	0.2
67.05493	0.3
68.95078	0.1
68.99438	0.1
68.99785	1.6
69.03411	0.3
69.03783	0.1
69.07033	0.3
69.81687	0.8
70.06565	0.3
72.08103	0.2
79.05489	0.6
81.03395	0.5
81.07040	0.5
83.04948	0.2
84.08125	0.6
85.06558	0.1
86.09695	0.6
88.46239	0.1
89.04498	0.1
91.05458	0.4
93.07010	0.5
94.04163	0.2
95.01339	0.1
95.04948	0.5
95.08567	0.3
97.02863	0.2
97.06512	1.2
103.05466	0.3
105.03368	0.9
105.04439	0.1
105.07006	0.5
107.04929	1.2
107.08578	0.4
109.02876	0.7
109.06484	0.2
111.00790	1.4
111.04403	0.3
115.05437	0.2
117.06989	0.2
119.04933	0.2
119.08533	0.3
121.01977	0.3
121.02850	5.2
121.06451	0.3
121.10064	0.2
124.07568	0.2
127.03898	0.3
128.06206	0.2
129.06950	0.4
131.08575	0.1
133.02805	0.8
133.10030	0.2
135.04446	0.6
135.08008	0.2
137.02310	2.0
137.05933	0.1
141.06978	0.3
142.70180	0.1
145.06464	0.5
145.10165	0.3
147.04402	1.3
147.08040	0.2
147.11636	0.1
149.06050	0.2
153.01807	8.7
154.02167	0.1
155.08473	0.1
157.06445	1.1
157.08539	0.2
159.11671	0.2
161.05923	0.3
162.05544	0.2
165.01810	3.0
169.10089	0.1
171.03003	0.2
171.04411	0.5
173.09569	0.1
173.13261	0.2
175.03944	0.1
176.96814	0.1
183.02852	1.4
185.05971	1.2
189.05411	0.3
195.08081	0.3
197.05992	0.3
203.03381	0.3
203.07010	0.3
209.11618	0.2
213.05431	2.5
215.10687	0.1
227.10696	0.2
229.04889	0.4
231.06541	1.0
233.11809	0.3
241.04875	1.4
243.06389	0.3
251.12730	0.4
255.10182	0.2
258.05219	1.9
259.06049	0.6
269.04407	0.3
269.12714	0.1
287.05453	100.0
288.05765	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	287.0546
Annotation	Cyanidin
Peak:m/z	Relative Intensity
53.03908	0.1
53.89280	0.1
55.01857	0.1
65.03925	0.2
67.01836	0.3
68.99425	0.1
68.99777	1.6
69.03411	0.2
69.60833	0.3
69.61263	0.3
79.05481	0.5
81.03401	0.2
91.05459	0.1
95.04942	0.2
97.02867	0.1
98.21467	0.1
103.05419	0.2
105.03366	0.8
107.04935	0.9
109.02872	0.6
111.00796	1.3
111.04424	0.3
112.07409	0.1
115.05418	0.2
117.07017	0.1
118.73786	0.1
121.02848	6.1
121.03818	0.2
121.06462	0.1
122.03171	0.1
125.02266	0.1
127.03886	0.1
128.06200	0.1
129.06972	0.4
133.02844	0.9
135.04416	0.3
136.07506	0.4
137.02303	1.6
141.06947	0.2
142.42146	0.1
145.06441	0.5
147.04385	1.2
153.01802	9.3
154.02252	0.1
157.06433	1.2
161.02367	0.1
161.05937	0.3
164.07056	0.5
165.01801	3.1
169.06511	0.2
171.02948	0.1
171.04317	0.5
175.03888	0.2
175.07466	0.1
183.01295	0.1
183.02873	1.5
183.04478	0.1
185.05910	1.0
189.05353	0.2
197.05951	0.3
199.03857	0.1
203.03337	0.2
203.06996	0.2
212.04720	0.1
213.05424	2.8
216.04167	0.2
217.05003	0.1
229.04880	0.4
231.06487	1.4
241.04861	1.2
242.05527	0.2
243.06445	0.2
245.04404	0.1
258.05209	2.2
259.05972	0.8
269.04358	0.4
286.04535	0.1
287.05441	100.0
288.05777	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	286.2734
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05259	0.9
55.05500	11.1
56.05024	7.9
57.07059	3.8
58.06589	6.2
58.54345	0.5
67.05470	1.7
69.07052	10.6
69.84274	2.9
70.06579	3.0
71.08600	1.7
72.04506	4.9
72.08144	1.0
74.02409	0.6
74.06064	7.5
75.59767	0.6
79.91385	0.4
81.07034	2.7
83.08591	6.1
84.08127	4.9
84.08893	0.5
86.05993	0.8
87.47100	0.5
88.03970	0.8
88.07586	0.7
91.05495	0.5
93.07048	0.8
95.08573	2.2
97.10146	2.4
98.09679	2.8
98.21455	0.5
98.98425	0.8
102.05571	0.5
109.10152	0.9
112.11211	1.4
123.65622	0.5
145.16661	0.5
179.30821	0.5
198.19225	0.6
198.22057	0.8
224.23688	31.4
226.16808	0.5
240.23097	1.1
242.24734	100.0
243.25089	2.8
256.26120	0.6
268.26300	65.8
269.26624	2.3
286.18735	0.6
286.23724	3.1
286.27328	13.6
287.05377	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	287.0546
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23567	0.1
52.95016	0.1
53.03920	0.2
55.01841	0.2
55.05503	0.1
59.05541	0.1
61.35583	0.1
65.03928	0.2
67.01839	0.2
67.05491	0.3
68.99787	1.9
69.03416	0.2
69.07047	0.2
69.56635	1.1
70.06568	0.2
72.08128	0.1
79.05477	0.7
80.81073	0.1
81.03397	0.3
81.07032	0.5
84.08110	0.3
86.09695	0.2
91.05441	0.3
93.07017	0.2
95.04960	0.4
95.08588	0.3
97.06532	0.3
98.98466	0.1
103.05440	0.2
105.03350	0.7
105.07007	0.2
107.04956	1.0
107.08566	0.2
109.02856	0.8
109.10129	0.2
111.00783	1.1
111.04429	0.4
116.98647	0.1
119.01910	0.2
119.04945	0.2
119.08546	0.2
121.02850	5.9
121.10173	0.1
122.03116	0.1
127.03898	0.2
129.06978	0.4
131.04866	0.2
131.08551	0.2
133.02805	0.8
135.04407	0.4
137.02325	1.8
141.06929	0.3
145.06483	0.4
147.04390	1.3
153.01808	8.6
157.06477	0.9
161.05923	0.4
165.01813	3.0
171.04395	0.6
183.02856	1.3
184.05258	0.2
185.05933	1.1
189.05377	0.3
197.05995	0.2
199.14667	0.2
203.03481	0.1
203.07025	0.3
213.05421	2.9
216.04282	0.1
229.05052	0.3
231.06454	0.9
241.04895	1.2
242.05460	0.1
243.06447	0.2
258.05252	2.1
259.06003	0.8
264.17816	0.1
269.04364	0.3
269.12769	0.2
281.55621	0.2
287.05453	100.0
287.23642	0.5
288.05804	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	286.2371
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	4.9
57.07061	1.2
60.14796	0.4
67.05492	1.1
68.05019	1.1
69.03411	2.6
69.07056	3.2
70.06583	10.0
70.06945	0.7
70.88181	1.2
81.07048	1.2
83.08604	4.3
84.04487	1.6
84.43244	0.5
86.06053	9.7
87.04456	17.8
95.08589	0.9
97.10151	1.5
98.06042	60.9
99.06385	1.0
101.77910	0.4
112.07553	1.1
126.09135	0.5
126.81992	0.4
130.05003	2.4
156.17453	11.0
219.14011	0.4
224.17967	0.8
224.20047	8.7
242.21111	100.0
243.21466	5.9
249.92505	0.4
270.20560	0.8
286.23715	29.7
287.23514	3.4
294.30771	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	286.2159
Annotation	Pentazocine
Peak:m/z	Relative Intensity
55.05492	0.5
57.07058	1.7
63.98552	0.4
67.05477	1.0
69.07041	0.8
71.04984	0.4
71.08592	0.5
71.63426	0.5
76.03987	2.8
79.05455	0.5
81.07033	0.9
85.10154	0.4
87.04422	0.5
91.05453	0.9
93.06989	0.5
94.06533	0.6
95.04931	0.4
95.08562	1.2
105.07005	0.9
105.27911	0.4
106.06519	2.3
107.07322	2.4
108.08092	0.6
115.05448	0.4
116.34097	0.3
117.05725	1.3
117.06977	0.4
117.22392	0.3
118.06516	1.7
120.08045	0.6
122.06011	0.4
130.06497	15.5
130.07481	0.7
131.07312	4.1
131.08295	0.5
132.08061	3.9
136.07530	0.4
142.06471	0.7
144.08046	3.8
145.08815	1.0
146.09598	1.5
156.08072	0.7
157.08902	0.5
158.06000	0.4
158.09624	2.4
159.06737	0.4
160.07520	0.6
160.11165	0.5
162.09090	1.0
163.91133	0.4
170.09608	0.9
172.07552	4.5
172.11159	2.9
173.08368	2.7
173.11969	0.4
174.09146	0.7
182.09589	1.4
183.10429	1.0
184.11133	1.2
186.09065	0.4
186.12747	0.8
196.11330	0.5
200.10703	0.6
202.12233	0.9
210.12697	0.4
226.15952	0.4
230.18965	1.8
242.19009	0.7
244.20525	0.8
256.20642	0.5
258.22125	0.6
268.17911	0.6
268.20566	5.9
269.18750	0.5
286.21591	100.0
286.30560	3.2
287.05417	1.6
287.22046	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	286.0917
Annotation	N-(beta-D-glucosyl)nicotinate
Peak:m/z	Relative Intensity
53.03933	0.6
55.01847	0.5
57.03426	1.4
58.34797	0.2
61.02914	3.5
62.06063	0.8
67.73833	0.2
69.03419	4.8
70.06571	1.0
70.06912	0.2
71.04977	0.5
72.08125	0.6
73.02908	1.6
80.04998	1.0
81.03418	1.7
81.57323	0.2
83.52225	0.2
85.02892	14.2
87.04425	0.4
91.03957	0.9
94.93016	0.2
96.04471	0.6
97.02880	4.2
98.21527	0.5
99.04434	0.9
100.90801	0.2
109.02888	0.8
110.07229	0.4
112.07630	0.3
115.03892	0.2
116.07042	1.2
119.01912	1.4
124.03935	100.0
125.04288	0.6
125.78361	0.2
127.03899	3.1
131.01897	0.7
133.03432	0.3
140.07095	0.2
143.01910	0.6
143.11800	0.3
145.04933	3.1
155.01930	0.3
161.02907	1.2
166.02908	0.2
168.99756	0.3
173.02977	0.9
173.09248	0.3
175.03333	0.4
176.93520	0.5
183.05005	0.2
185.02922	0.4
185.09183	0.5
187.00829	0.5
189.02481	0.3
191.03900	0.3
196.03964	0.8
199.00847	0.3
203.03955	0.3
205.04535	0.5
214.04993	0.3
215.00357	0.8
215.13924	0.3
229.21091	0.2
231.03531	0.3
245.05144	0.3
247.03014	0.8
259.03061	0.4
268.98456	0.2
277.03989	0.3
286.09259	0.8
286.17593	0.4
287.05411	1.0
289.03979	0.3
301.04224	0.3
307.05069	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	286.1756
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	1.7
55.05505	2.0
56.05021	1.0
56.96554	4.4
57.03428	4.0
59.04984	2.2
61.02916	8.1
63.12549	0.7
68.05016	1.5
69.03407	4.9
70.06580	85.4
70.08221	3.4
71.04984	6.7
71.06934	0.9
72.08144	7.1
73.02895	2.7
79.05471	2.5
81.03403	2.0
81.04497	0.7
81.07039	12.5
82.05318	1.4
83.06087	9.4
84.04487	2.1
84.08138	7.5
85.02411	1.1
85.02888	10.7
86.03222	1.3
86.09699	2.6
87.08086	2.0
89.03924	0.7
91.05463	1.0
93.04504	5.4
95.06078	13.2
97.02884	3.7
98.06032	0.8
98.97559	3.5
99.04408	0.9
106.06570	0.9
107.04937	1.4
107.06075	2.1
109.02856	1.6
110.01260	0.8
110.07146	99.0
110.97587	0.8
111.05548	1.4
111.07489	1.3
112.07586	71.3
112.08678	3.7
113.07922	1.6
116.07084	7.1
116.98605	3.1
119.01917	3.8
121.07605	0.8
123.04433	1.2
124.03940	21.3
124.07565	0.8
127.03876	2.6
129.06606	1.2
129.10188	1.2
130.04964	0.9
130.08659	1.4
134.05249	0.8
134.99576	1.5
136.06148	1.6
137.02803	1.6
140.07040	49.8
141.07387	1.1
143.01880	2.0
143.11801	1.3
145.03587	1.0
145.04977	1.8
146.99643	1.3
147.04355	0.7
147.07735	0.7
152.05598	1.5
153.04042	8.9
154.02435	0.9
154.04482	5.9
154.06097	1.4
154.07169	3.7
156.03343	1.7
156.07663	13.2
157.09734	4.1
158.06609	2.1
161.01125	1.2
161.02951	4.9
163.03876	1.0
163.12276	49.5
164.12633	1.4
166.06116	2.3
168.03206	0.7
173.02957	1.4
173.09148	0.9
174.04347	4.5
174.99107	1.2
176.07675	2.7
177.00661	1.3
179.03813	0.8
185.03011	0.9
185.09177	2.3
186.04369	5.4
187.10782	3.1
188.07675	4.4
189.00655	1.2
190.13376	8.2
192.05402	1.4
193.00203	1.9
193.13312	1.4
197.12920	1.4
199.02797	0.8
203.02164	0.9
203.03972	0.9
204.05418	8.0
205.73398	0.8
208.14420	12.1
209.12737	0.7
215.13951	0.8
219.11284	1.9
222.06523	0.7
224.07635	2.6
227.06784	1.2
236.13885	9.2
240.10268	1.0
240.13385	1.0
240.17015	8.1
242.08640	2.3
254.14961	22.8
268.12833	0.8
269.11533	0.7
286.06070	3.3
286.17554	100.0
287.05643	2.9
287.11038	7.8
287.17862	3.3
309.01468	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.2207
Annotation	Vitamin A2
Peak:m/z	Relative Intensity
53.03936	3.5
55.05514	17.3
55.05731	3.7
57.07066	4.6
59.04982	2.6
60.55937	2.7
63.00040	3.2
67.05490	18.8
69.07057	53.9
69.29335	31.8
71.04978	5.2
79.05485	10.7
81.07052	30.9
83.08598	7.8
89.37276	3.2
91.05451	17.2
93.07033	25.9
95.04955	7.1
95.08588	34.8
97.06510	21.1
97.10155	3.9
98.20766	5.7
98.28604	3.0
99.08086	3.3
105.07016	54.6
105.20172	2.5
107.08578	32.5
109.06488	23.5
109.10146	29.2
111.08064	8.4
111.11617	4.0
117.07014	6.5
119.08560	78.5
121.06456	9.3
121.10134	27.5
123.08053	6.5
123.11692	16.4
128.06142	2.6
131.08531	5.8
133.10109	48.3
135.08012	12.4
135.11665	13.8
137.09583	6.9
137.13171	2.9
139.69087	3.2
143.08521	5.8
145.10120	16.6
146.07201	8.8
147.11662	17.1
149.09538	2.8
149.13264	3.2
151.11098	3.0
155.08513	3.9
157.10094	6.1
159.11702	7.2
160.12276	2.9
161.09598	100.0
161.13260	8.6
169.10068	7.2
171.11691	5.6
173.13275	5.5
175.14819	50.3
177.16330	9.9
183.11624	5.1
185.13203	13.6
187.14720	3.2
189.12636	3.4
193.15843	11.8
197.13223	9.9
201.16296	3.5
203.17839	3.7
211.14784	11.5
215.18073	5.2
267.20996	12.2
285.22064	23.2
285.29712	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	285.217
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05258	1.2
55.05503	15.7
56.05021	1.9
57.07064	2.3
60.04502	2.4
63.00027	2.2
67.05502	6.1
67.80424	0.7
68.05013	3.0
69.07059	17.3
70.02950	1.3
70.06578	4.1
70.37209	3.1
71.04974	1.6
71.08611	2.9
72.04501	1.0
72.08128	1.0
73.02908	2.4
74.02438	1.3
74.37634	0.8
76.57298	0.8
79.05502	4.4
80.65717	0.8
81.03397	1.0
81.07047	10.0
82.06557	2.6
83.08128	1.4
83.08604	14.8
84.04490	3.6
84.08124	2.2
85.06507	1.4
85.10170	1.1
86.02401	3.8
86.06036	1.3
86.09702	1.1
87.05587	12.5
88.03985	4.3
91.05467	3.0
93.07036	5.2
95.04948	2.2
95.08598	8.3
96.04440	1.0
96.08107	3.3
97.06522	2.5
97.10155	11.5
98.06033	1.4
98.09669	3.5
98.98468	1.1
99.00784	1.0
100.03955	1.8
100.07622	0.9
102.05522	4.3
105.07008	4.3
106.93636	0.8
107.08585	3.2
109.06460	1.6
109.10126	3.8
110.06038	2.2
111.11676	2.9
112.11164	0.8
113.09615	1.1
114.05529	2.9
114.06441	0.8
117.06995	0.8
119.08571	3.2
121.06487	0.9
121.10114	3.5
123.08063	1.7
123.11667	1.6
128.03410	1.0
128.07054	4.2
131.08505	1.1
133.10100	1.7
135.11659	1.8
139.07582	1.0
142.08580	4.4
145.10120	1.2
147.11684	4.5
149.13271	1.1
157.10149	1.5
161.13190	1.3
165.12738	3.4
170.19031	13.7
175.11179	2.1
180.17450	34.5
181.04916	2.0
181.17715	1.0
182.19043	7.0
189.12698	1.3
193.12210	4.4
194.19086	1.5
196.20576	4.8
217.12265	1.6
222.18492	5.6
222.96945	1.1
224.19838	1.4
226.17979	27.1
235.13234	2.1
239.21164	14.2
240.19545	8.9
241.22736	2.2
242.21175	2.1
249.18474	1.6
268.19025	31.0
285.21692	100.0
286.22006	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	285.1693
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.1
55.01860	1.7
55.05508	41.2
56.05036	2.3
57.03434	18.6
57.07058	6.4
63.00043	1.4
67.05499	25.3
68.05021	14.0
69.03419	1.9
69.07059	26.2
69.97796	6.1
70.06579	2.2
71.04996	5.7
71.08620	2.5
79.05488	12.2
81.03412	5.3
81.07050	64.3
83.04962	4.8
83.08612	31.8
84.04497	89.3
84.08149	2.3
85.02905	9.6
85.06525	3.4
86.06042	5.1
86.09698	2.1
87.04449	2.3
90.17670	1.1
91.05470	16.8
93.07021	9.6
95.04955	4.5
95.08593	15.1
96.04484	7.1
97.06521	8.0
97.10161	10.2
98.06044	2.1
98.98450	1.6
99.08064	4.2
100.11250	1.5
101.07140	5.5
102.05560	6.6
105.07019	23.9
105.07668	2.1
106.68249	1.2
107.08595	10.2
107.39117	1.1
109.06481	4.4
109.10141	3.1
111.08092	1.6
114.05521	56.7
119.08566	18.7
121.10136	15.7
123.08063	3.2
123.11695	19.5
126.13926	1.1
127.07468	1.7
129.06985	1.7
130.04991	100.0
131.04895	1.5
131.08580	3.0
133.06509	1.5
133.10097	3.7
137.09593	1.4
137.13226	2.0
142.04982	46.5
145.10080	2.3
147.07623	12.9
147.11668	50.7
149.09624	1.9
149.76944	1.1
156.17451	4.9
157.10083	3.4
163.11192	1.1
165.12752	27.8
170.09610	1.3
175.11186	5.8
181.04941	3.0
183.13818	3.0
193.12245	4.1
194.19041	5.0
211.13217	1.4
222.18483	8.7
229.14262	7.4
239.21201	6.1
241.19887	1.3
243.11270	3.5
253.08502	1.3
267.16086	2.6
268.19052	56.0
285.12466	6.0
285.16959	56.2
285.21741	83.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1691
Annotation	Hysterone D
Peak:m/z	Relative Intensity
53.03927	2.2
55.01864	5.2
55.02079	0.9
55.05260	1.7
55.05500	23.3
57.03427	33.5
57.07054	2.6
59.04937	1.4
63.00010	1.1
65.03919	1.2
67.05492	45.5
69.03416	5.6
69.03709	0.9
69.07053	13.9
70.06566	2.5
70.58740	2.3
71.04979	12.7
71.99680	1.2
72.08144	1.3
72.40846	1.0
79.05481	37.1
79.43904	0.9
81.03403	100.0
81.07041	64.4
83.04966	15.4
83.08140	2.2
83.08606	35.3
83.09099	2.2
84.08126	1.2
85.02890	42.8
85.06529	7.9
86.09700	1.4
87.04459	2.4
91.05464	38.5
93.06462	2.0
93.07025	27.7
95.04951	43.7
95.08585	30.2
97.02856	4.5
97.06516	8.8
97.10126	4.7
98.98441	1.5
99.04420	1.4
99.08040	3.8
105.07011	36.8
107.04932	10.6
107.08572	17.0
109.06504	8.2
109.10148	11.2
111.04420	3.2
111.08056	17.6
113.05966	3.9
115.03954	1.8
117.07006	3.1
119.04891	1.6
119.08561	30.3
121.06487	2.6
121.09298	1.7
121.10118	23.1
123.08057	6.4
123.11692	11.7
124.03905	1.8
125.09586	4.0
127.07501	1.7
128.06212	1.5
129.06999	13.1
131.08543	15.5
133.06461	4.5
133.10117	13.5
135.08002	2.2
135.11658	4.4
137.09563	3.0
137.13205	1.7
142.07724	2.8
145.10098	3.7
147.07999	4.1
147.11655	34.4
148.12000	1.3
149.09612	9.4
149.13179	1.7
151.11205	2.3
155.08525	1.3
157.08923	1.5
157.10112	19.4
157.11302	2.3
159.11594	1.7
159.77359	1.2
162.05530	1.2
165.12733	12.7
166.90883	1.0
171.11639	1.7
175.09732	1.9
175.11147	24.1
175.14659	1.5
177.16261	1.0
181.04962	1.5
183.11630	1.4
185.13020	1.0
191.03358	1.5
193.12209	98.6
198.09079	1.8
203.17906	4.1
211.13254	53.2
212.10637	1.4
213.16238	1.9
221.18933	2.0
225.09087	4.0
229.14281	6.8
239.20035	3.4
243.11194	3.6
249.14700	1.7
249.18401	1.8
253.08569	5.4
267.11301	1.3
267.15851	18.9
267.19351	2.9
268.09732	3.6
285.11789	8.0
285.16891	83.6
285.21512	6.8
286.17282	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	285.1692
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.3
54.33144	0.6
55.01865	2.2
55.05504	6.3
57.03426	5.9
57.07066	0.8
63.00048	0.8
65.03937	0.8
67.05495	13.4
69.03413	3.2
69.07053	2.4
69.77753	3.8
70.06586	1.2
71.04985	2.1
72.08138	0.9
75.04473	0.7
79.05475	11.7
81.03403	100.0
81.07034	11.9
82.03724	0.8
83.04975	5.3
83.08607	19.3
84.08124	0.9
85.02886	3.7
85.06530	0.9
91.05466	14.1
93.07024	8.8
94.28256	0.6
95.04952	27.0
95.08575	4.9
96.05318	0.7
97.02873	2.8
97.06496	2.4
97.10156	1.6
98.21432	1.3
99.08044	0.7
100.11248	0.7
105.07013	13.7
107.04946	6.2
107.08558	4.4
109.06485	3.3
109.10155	1.9
111.04411	2.0
111.08062	11.4
115.05392	1.2
117.07033	1.6
119.04929	1.0
119.08566	11.4
121.06467	1.5
121.10126	6.3
123.08023	1.3
123.11700	1.2
124.03922	1.3
125.09602	1.1
129.06975	7.7
131.08546	6.1
133.06468	3.5
133.10103	6.0
135.11630	0.9
137.05942	1.7
137.09602	2.0
142.07761	2.4
143.08522	0.8
145.10130	2.8
146.03633	1.5
147.08020	2.5
147.10614	0.9
147.11658	8.5
149.09589	5.7
153.06911	0.8
157.10080	11.2
159.11655	1.2
161.05986	3.9
161.13113	0.7
163.11115	0.9
165.06973	6.3
165.12720	3.0
175.11153	13.3
175.12674	0.7
181.06479	0.9
182.07210	2.5
193.06470	5.3
193.12212	59.8
194.12502	1.0
197.13152	0.8
199.14920	0.8
210.06731	5.3
211.07405	0.8
211.13232	8.7
211.15002	1.1
221.05933	6.1
225.09045	16.1
238.06270	2.8
239.06847	0.7
249.14677	1.1
253.08560	28.0
254.09019	1.9
267.15854	19.0
267.20978	0.6
270.08920	0.9
285.11145	21.4
285.16495	5.8
285.22052	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	285.1692
Annotation	Hysterone D
Peak:m/z	Relative Intensity
53.03928	3.1
55.01849	4.8
55.05502	14.3
57.03183	1.7
57.03429	23.2
59.04984	1.7
61.54314	1.8
65.03922	1.8
67.05162	2.1
67.05491	25.1
68.01147	1.5
69.03411	3.1
69.07034	6.2
69.33564	13.4
70.06573	2.8
71.04990	7.4
72.08140	1.8
78.19314	1.5
79.05476	22.3
81.03407	100.0
81.07048	33.0
82.06520	1.3
83.04970	11.4
83.08136	1.9
83.08604	29.3
84.08135	2.0
85.02417	2.8
85.02890	35.5
85.06527	3.4
86.09685	1.9
91.05466	27.4
93.07031	18.3
95.04957	32.1
95.08585	13.0
97.02824	4.2
97.06506	5.7
97.10112	2.9
98.20728	3.1
99.08066	3.1
99.08654	1.4
100.11237	2.2
105.07018	19.3
105.07676	2.4
107.04950	8.0
107.08571	12.8
109.06495	4.9
109.10132	7.4
111.04414	2.3
111.08061	17.0
113.05983	4.0
115.05428	2.0
117.06990	3.3
119.08563	19.5
121.06457	2.5
121.10122	12.3
123.08050	2.6
123.11662	3.5
124.03876	1.4
125.09561	1.6
129.06993	10.9
131.08539	10.6
133.06456	2.6
133.10098	11.9
135.11674	2.9
137.05986	1.5
137.09525	2.0
142.07730	1.8
145.10135	3.6
147.08006	2.7
147.11688	18.8
149.09569	6.1
149.13240	2.1
151.11160	1.7
155.48640	1.5
157.08876	2.1
157.10103	16.9
159.11678	2.1
165.12717	5.5
171.11497	1.4
175.11162	19.7
181.04916	2.5
193.12212	77.8
211.13260	38.5
221.05914	2.2
225.09048	2.2
229.14232	3.2
253.08412	3.5
267.11536	1.5
267.15872	17.9
268.11035	2.1
285.03860	1.8
285.11832	3.0
285.16910	57.4
285.21826	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	285.1692
Annotation	Hysterone D
Peak:m/z	Relative Intensity
53.03931	3.5
55.01863	3.4
55.05501	13.1
57.03428	17.2
57.07069	1.3
59.04999	0.8
60.09892	0.8
63.00016	1.2
65.03938	1.2
67.05494	20.8
69.03408	4.7
69.07066	6.7
69.97417	4.4
70.06577	3.4
71.04980	6.0
71.08615	0.8
72.08138	0.9
75.04496	0.8
75.26521	0.6
79.05480	20.0
81.03406	100.0
81.07045	25.6
83.04971	11.4
83.08128	1.6
83.08607	24.1
84.08136	2.4
85.02893	28.4
85.06509	1.5
86.09695	1.5
91.05468	26.2
93.07030	15.8
95.04346	1.5
95.04955	31.0
95.08588	11.5
97.02876	3.4
97.06520	4.5
97.10157	2.0
98.20789	1.0
98.98482	1.5
99.04449	1.6
99.08088	1.0
100.11224	0.8
103.05474	1.0
105.07014	17.8
107.04941	7.6
107.08568	9.5
109.02869	1.1
109.06504	4.0
109.10178	4.4
111.04436	3.2
111.08063	16.0
113.05982	2.2
115.05467	1.4
117.07000	2.0
119.08559	17.2
120.08121	1.5
121.06477	3.0
121.10120	9.8
123.08031	3.9
123.11698	2.7
124.03925	2.9
125.09599	1.6
129.06995	8.4
131.08546	11.4
132.95874	0.8
133.06485	3.9
133.10121	8.5
135.08047	1.5
135.11636	2.0
137.09627	2.1
142.07735	3.5
145.10086	2.4
147.08061	4.1
147.11665	13.8
149.09592	6.4
151.11101	1.3
157.10104	14.9
161.05972	1.3
163.11147	1.0
165.06978	0.9
165.12720	4.3
171.11644	1.0
173.09535	0.8
175.11168	17.1
181.04984	1.5
183.08049	0.9
189.16362	0.9
193.12216	74.1
194.12604	1.5
210.06763	1.0
211.13258	25.9
211.15247	1.3
221.05884	1.2
225.09056	2.5
226.09190	0.8
229.14346	1.9
231.17166	0.9
240.59071	0.8
249.14787	1.1
249.18483	1.4
253.08568	3.3
267.15884	15.6
276.78806	0.8
285.04099	1.8
285.07608	1.7
285.11475	3.8
285.16907	45.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.169
Annotation	Hysterone D
Peak:m/z	Relative Intensity
51.26690	1.1
53.03940	2.1
55.01863	3.0
55.05501	11.6
55.57747	1.0
57.03430	15.2
58.99572	1.4
63.00028	1.6
65.03934	1.7
67.05495	19.5
69.03412	3.3
69.07052	6.5
69.93958	1.1
70.04456	2.7
70.04848	2.6
70.06580	2.4
71.04979	5.7
79.05485	20.1
81.03408	100.0
81.07043	23.1
83.04979	9.2
83.08604	27.9
83.21361	1.1
84.08147	1.9
84.26778	1.0
85.02892	22.4
85.06533	2.4
86.09704	2.4
91.05469	24.4
93.07031	13.6
95.04955	31.1
95.08601	7.9
97.02898	3.7
97.06524	2.3
97.10151	1.7
99.08083	1.5
105.07012	16.8
107.04912	6.8
107.08557	8.1
109.06518	3.8
109.10138	3.0
109.32601	1.2
111.04415	2.5
111.08070	14.7
113.06001	2.3
115.05447	2.3
117.06992	2.4
118.07330	1.1
119.08566	15.5
121.06520	3.9
121.10141	7.9
123.08053	3.0
123.11729	1.3
129.06979	9.8
131.08557	9.5
133.06471	4.5
133.10107	7.9
135.08009	3.2
137.09581	2.0
142.07753	2.0
145.10133	1.7
147.08075	2.6
147.11682	13.1
149.09576	5.3
155.08633	1.1
157.10121	11.5
163.07564	2.4
163.11124	1.5
165.06926	1.8
165.12741	4.7
173.05829	1.1
175.11166	18.8
181.05022	1.5
193.12216	75.5
201.05424	2.9
211.13261	28.4
225.08965	1.4
229.04913	4.0
229.14255	1.2
239.07147	1.1
243.10773	1.0
249.14842	1.1
253.08746	2.3
257.04346	3.4
257.08646	1.2
267.15878	19.2
285.03928	13.3
285.07806	5.3
285.11569	3.1
285.16882	32.4
286.04358	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	285.0827
Annotation	9-.beta.-D-Ribofuranosylxanthine
Peak:m/z	Relative Intensity
55.01865	5.7
55.05499	0.5
56.96552	2.3
57.03426	9.9
57.07059	1.0
59.04982	2.0
59.77849	0.4
60.04520	0.9
61.02913	2.7
67.05482	0.6
69.03073	0.5
69.03416	6.5
69.07037	0.9
69.59843	3.4
70.06586	5.6
71.01340	3.3
71.04996	0.5
72.08141	0.4
73.02905	7.6
79.05486	0.6
81.03394	1.1
81.07042	0.6
84.04459	1.1
84.08127	3.8
85.02889	10.2
86.09700	1.0
87.04446	1.7
91.05476	0.7
97.02875	5.0
98.06060	0.5
98.97569	1.8
98.98453	0.6
99.04444	0.6
103.03924	0.7
106.04997	0.7
107.04932	0.8
109.10192	0.5
110.03512	5.4
110.07153	3.9
112.07581	3.0
115.03915	5.4
116.98614	1.1
119.01855	0.8
123.04384	0.7
123.64451	0.4
124.03879	2.2
124.95721	0.4
126.07774	0.7
127.03905	1.0
128.04539	1.6
128.98579	0.6
129.10176	0.7
130.08629	1.0
131.01794	0.7
133.03416	0.6
133.04942	10.3
134.99681	1.0
136.01402	8.6
136.06158	1.4
140.07048	1.3
148.79614	0.6
150.05507	1.3
152.05655	8.6
153.04051	100.0
153.05927	9.0
154.02448	9.6
154.04440	0.9
154.07253	0.5
154.94115	0.6
155.87679	0.4
156.03336	0.5
156.07681	0.7
158.99590	0.6
161.02939	0.6
163.12257	0.8
172.95168	2.3
173.02895	0.7
177.00755	0.5
181.00180	0.5
181.04990	0.9
184.07642	0.5
186.04326	0.6
190.96262	1.3
192.05478	0.5
193.97368	0.4
198.34457	0.4
204.03688	0.6
204.05476	0.9
233.98169	0.5
242.98427	0.5
259.20215	0.5
263.04343	0.5
268.97867	0.5
285.11511	0.7
285.14313	0.7
286.17593	1.4
302.97882	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.0983
Annotation	Guanosine
Peak:m/z	Relative Intensity
57.03417	0.4
64.59590	0.2
69.03455	0.2
69.66914	0.2
70.95824	0.6
70.96161	0.3
85.02863	0.3
104.66944	0.2
109.05108	0.3
110.03517	2.0
128.04533	0.7
135.02982	3.7
136.06171	0.3
148.90294	0.3
152.05638	100.0
153.04053	5.8
153.05989	0.6
174.51828	0.3
187.44968	0.2
249.50336	0.2
296.28503	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.2051
Annotation	(2E,4E,6Z)-7-(7,7-Dimethyl-4,5,6,7-tetrahydro-1H-inden-2-yl)-3-methyl-octa-2,4,6-trienal
Peak:m/z	Relative Intensity
55.05502	17.6
57.03421	2.2
57.07063	5.3
63.92098	1.9
67.05160	3.6
67.05495	43.8
69.03406	7.3
69.07063	17.5
70.06571	2.3
70.99906	1.9
71.04988	17.8
71.08603	2.2
79.05481	29.9
81.07043	58.7
82.05308	1.9
83.04939	4.6
83.08599	8.6
83.60126	1.9
85.06535	2.7
91.05469	32.7
93.07031	60.5
95.04957	14.8
95.08592	48.2
96.08118	2.3
96.61886	2.1
97.06498	11.9
97.10120	2.6
99.08076	2.2
103.01598	1.8
103.05449	2.3
105.07016	61.7
106.97138	1.9
107.04911	2.0
107.08581	45.0
109.06503	11.1
109.10146	25.5
111.08057	5.0
115.05434	2.6
117.07026	12.7
119.08568	41.4
119.09339	3.9
121.02930	2.0
121.06509	13.5
121.10123	69.8
122.10423	3.0
123.08042	9.1
123.11691	8.8
124.46043	2.1
125.09618	2.3
126.28033	2.1
128.06223	4.3
129.06963	7.0
130.07751	6.6
131.08553	45.6
133.10110	39.5
135.08055	9.1
135.11708	17.6
137.09618	2.8
142.07756	6.0
143.08556	19.8
144.09258	4.4
145.10107	48.5
147.08026	4.8
147.11664	10.8
149.13255	5.6
155.08595	3.3
156.09357	7.3
157.10130	19.1
158.10861	7.5
159.08031	5.3
159.11684	19.6
161.09605	31.8
161.13266	6.3
163.11137	7.2
163.14841	4.7
165.06929	2.7
167.08534	2.8
168.09335	3.1
169.10100	4.7
170.10812	3.1
171.11624	12.6
173.09641	3.0
173.13240	86.9
174.13647	2.8
175.11140	4.3
175.14830	5.9
179.08548	3.8
181.10120	5.6
183.11671	7.8
185.09583	4.8
185.13231	11.6
187.11130	2.0
187.14812	7.6
189.12770	4.7
191.14307	12.7
193.10123	3.9
194.10905	5.6
195.11673	7.4
197.13312	4.9
199.11162	4.6
199.14812	10.0
201.16335	4.4
207.11563	2.7
208.12445	3.2
209.13246	17.3
209.48999	1.8
210.13852	2.2
213.12738	5.5
213.16408	4.0
215.17924	4.0
223.14745	9.8
225.16443	3.3
227.14267	10.3
233.19023	2.9
235.14719	2.3
237.16418	3.6
239.18056	2.8
251.20074	6.3
255.20990	8.5
265.19562	21.8
265.27200	3.2
283.20554	100.0
284.20844	3.6
284.25879	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	283.1898
Annotation	Gallicynoic acid C
Peak:m/z	Relative Intensity
55.01847	11.3
55.05499	19.7
55.92301	3.7
57.03427	9.0
57.07057	10.7
65.03938	3.2
67.05491	38.8
69.03412	7.5
69.07054	40.8
70.06574	7.1
70.14591	18.3
71.04979	12.9
71.08621	10.3
72.08181	3.9
79.05478	26.5
81.03410	6.4
81.07048	100.0
83.04945	5.0
83.08608	13.1
85.02890	5.5
85.06556	4.6
86.09695	3.9
91.05460	20.9
93.07032	37.4
95.04946	10.3
95.08589	62.0
97.06512	10.5
97.10148	10.2
98.06045	4.3
98.21453	4.7
98.52395	3.9
99.08064	9.1
105.07018	21.5
107.04974	6.9
107.08584	35.6
109.06489	7.4
109.10144	17.0
111.08093	6.1
117.06997	11.7
119.08525	17.8
121.02815	3.8
121.06521	6.9
121.10107	21.9
123.08041	34.3
123.11686	4.6
125.09629	10.4
126.09158	4.4
131.08539	18.9
133.06451	8.6
133.10106	14.5
135.08037	15.1
135.11678	9.0
136.06206	4.9
137.09535	4.5
139.11154	16.9
141.06992	5.3
145.10071	17.9
147.08051	3.6
147.11662	6.2
149.09592	21.9
149.13245	4.5
151.07555	26.9
151.11137	4.3
159.07985	4.9
159.11713	5.9
161.09564	10.4
163.11159	8.8
163.14832	5.0
167.10591	5.1
169.10112	7.6
177.09070	4.3
177.16373	7.1
185.13297	4.9
187.11188	6.7
187.14818	6.4
195.04959	4.6
201.16348	7.6
205.15784	9.2
210.12514	3.9
211.14804	5.1
219.17477	6.0
223.16872	14.4
229.15836	20.1
234.32106	4.8
237.18430	8.6
247.16919	80.5
248.17226	5.3
265.17978	32.8
266.17850	8.8
283.12988	3.8
283.19083	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	282.1845
Annotation	diphenylpyraline
Peak:m/z	Relative Intensity
53.75183	0.4
62.39016	0.4
65.43407	0.4
70.46318	1.7
73.55856	0.4
85.10125	0.4
107.07292	0.5
117.05733	1.5
118.06519	0.8
128.06201	0.7
129.05737	1.2
129.06970	0.5
130.06506	4.1
131.07295	0.8
142.06479	1.1
144.08054	1.1
154.06488	15.4
155.06085	0.9
155.07274	12.6
156.08028	1.9
161.04712	1.1
165.12755	0.6
167.07248	1.3
168.08055	15.6
169.08835	3.3
170.09616	8.6
172.07401	0.4
180.08043	1.4
181.08784	0.6
181.74217	0.4
182.09619	15.9
183.10352	5.2
184.11208	1.0
194.09546	0.7
196.07524	5.6
196.11186	1.8
197.08401	2.8
198.09178	0.7
210.09096	2.3
211.09840	1.0
212.10686	0.9
224.10690	0.6
254.19020	13.0
282.18466	100.0
283.18808	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.1546
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	1.6
53.78572	0.7
55.01857	2.2
55.05495	1.9
55.44922	0.7
56.05022	2.0
56.96551	4.1
57.03427	6.2
57.07061	1.6
59.04987	1.1
59.12446	0.7
60.04507	1.9
61.01142	0.9
61.02920	10.0
67.05505	2.2
69.03422	20.0
69.58237	6.2
70.06585	4.0
71.04971	2.6
72.08141	5.2
72.93794	0.8
73.02906	7.4
73.08469	1.4
74.06054	1.3
75.04471	1.0
79.05480	1.0
81.03403	8.7
81.07053	1.4
83.04973	1.4
84.04501	2.0
84.08117	8.7
84.95999	1.0
85.02892	100.0
85.06528	25.7
86.03226	2.3
86.09686	3.2
87.04453	3.6
88.03987	1.4
91.03941	8.3
91.05457	3.9
93.07043	1.2
95.04958	0.8
97.02879	27.5
97.03501	1.4
97.06495	0.9
98.03204	1.2
98.06064	0.9
98.97578	12.1
99.04420	4.3
101.02392	1.1
103.07573	2.7
104.05340	1.0
104.10648	0.8
107.04948	2.3
107.08606	1.0
109.02872	7.6
110.97553	2.1
111.02075	0.8
112.05067	18.1
112.07591	2.4
115.03914	1.2
116.98602	10.1
119.01833	1.0
119.04920	2.7
119.08631	0.9
120.04453	0.9
120.08072	1.3
121.02846	2.1
121.06496	1.3
121.08437	1.9
127.03896	25.7
127.04787	1.6
128.04277	1.0
128.98630	4.0
129.03065	1.3
129.10217	2.3
130.08626	2.6
132.10193	1.3
134.09596	1.3
134.99641	3.5
135.04367	1.3
136.06165	5.8
136.07558	1.2
137.05971	3.6
140.02238	0.9
145.04939	53.8
146.99606	4.4
147.08046	1.1
149.01297	0.9
150.07726	64.9
152.06850	2.2
153.07161	2.2
156.03366	1.3
158.14153	0.8
158.99655	3.0
159.06717	1.1
161.01321	1.0
161.02867	1.6
163.03906	6.1
163.05991	15.4
163.97757	1.0
165.00807	0.9
170.99672	1.0
173.02927	1.6
174.04373	1.7
176.07579	0.9
177.00676	5.5
177.07808	2.3
178.00958	1.9
180.08583	1.7
183.05017	1.5
184.05916	0.8
186.04388	1.9
189.00696	4.6
191.03891	1.1
191.54074	2.3
192.04529	1.8
193.03148	6.6
200.04442	2.5
200.54597	4.6
201.05063	2.8
204.05424	3.9
207.01886	1.0
211.09657	1.3
216.99860	0.9
219.01756	2.7
220.02003	0.9
221.05028	1.0
229.10696	6.8
237.02798	2.9
239.04343	1.4
247.11713	1.0
249.02837	0.9
252.12640	3.4
255.03952	1.0
264.12476	1.4
270.13702	2.4
281.05359	2.1
282.08054	2.7
282.11722	3.2
282.14386	4.1
282.22107	3.2
282.27811	1.1
283.07028	1.3
283.13040	1.5
300.02283	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.1482
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05489	2.0
56.96555	3.5
57.07044	2.2
58.35556	0.7
67.05487	1.6
69.03423	1.0
69.07054	4.4
69.95966	2.7
69.96394	1.1
70.06550	1.0
71.08597	0.7
72.08147	0.8
74.13306	0.6
74.76429	0.7
79.05457	0.8
81.07034	4.3
83.08599	1.2
84.08115	1.0
85.02883	1.5
85.06517	0.9
91.05453	1.3
93.07024	1.2
95.04930	1.1
95.08568	1.6
97.06487	0.7
98.97565	3.8
101.55125	0.6
105.07004	1.0
107.08564	1.6
109.10135	1.2
111.01151	0.6
113.34782	0.6
116.98545	2.0
119.08521	0.7
120.08074	0.6
121.02801	1.1
123.05627	0.8
123.11655	1.2
132.06207	0.7
133.10092	0.9
134.09627	2.4
134.99611	1.6
136.84082	0.8
138.06206	1.3
146.99539	0.7
158.99629	0.8
163.97758	1.0
174.06328	1.2
177.00677	1.1
177.12115	1.6
179.08499	2.5
184.09459	0.7
186.12708	1.6
186.99318	1.1
190.05923	0.9
190.07700	1.8
191.08514	4.1
192.07332	0.9
192.11063	1.1
192.12677	2.9
192.62782	0.9
193.06454	0.7
193.10074	0.9
195.13182	0.7
201.13129	1.0
202.05980	0.7
202.07750	1.1
203.08536	2.8
204.07626	0.7
204.09364	0.7
205.08224	1.0
205.10110	1.6
207.08023	4.0
212.63988	1.1
217.06465	1.2
218.07202	3.2
218.85054	0.7
219.08040	8.2
220.10420	1.2
221.05902	2.1
221.09465	3.3
222.10384	0.9
233.09610	3.8
234.10355	25.0
235.05112	1.3
235.07486	26.0
235.10992	1.2
236.08162	4.7
237.09006	0.9
246.08420	1.2
249.09018	2.3
250.09846	40.2
251.10176	1.7
258.12390	0.8
258.14771	4.5
258.64996	1.1
258.97772	0.9
262.40613	0.8
264.09454	11.0
265.12183	100.0
266.12567	3.0
273.15158	1.0
282.10559	6.6
282.15417	10.0
282.22263	3.7
282.66013	2.7
283.15500	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.1191
Annotation	2'-O-Methyladenosine
Peak:m/z	Relative Intensity
55.01859	0.6
55.05496	0.4
56.05023	0.6
56.96540	0.5
57.03442	1.9
57.03678	0.5
57.07061	0.4
59.04976	1.0
60.04501	0.5
61.02912	0.9
66.47209	0.3
67.05485	0.4
69.03419	2.8
69.07047	0.5
70.06584	3.0
71.04979	0.4
71.61617	0.3
72.08130	0.7
73.02889	0.4
75.04472	0.6
81.04536	0.3
82.04847	0.3
84.04487	0.5
84.08138	1.8
85.02889	4.1
85.06537	2.5
86.09702	0.6
87.04456	0.8
88.03971	0.4
91.03952	0.3
94.80960	0.3
94.92105	0.3
97.02893	1.8
98.97565	1.1
99.04430	0.4
101.05992	1.1
103.07567	10.3
109.02840	0.3
110.07119	0.3
115.03919	0.6
116.98607	0.8
119.03520	0.6
120.08055	0.4
121.02861	0.4
122.07137	0.4
123.07960	2.0
124.08274	1.7
127.03893	1.3
128.98563	0.3
129.10234	0.7
134.09605	0.8
134.99655	0.5
136.06165	100.0
137.04626	0.4
145.04967	1.4
146.99594	0.4
147.06500	0.4
150.07687	0.7
157.22731	0.3
163.06056	0.3
163.07616	0.3
163.97694	0.4
177.00679	0.3
186.99280	0.3
189.00687	0.4
202.07693	0.3
210.12659	0.3
251.23605	0.3
282.11908	6.5
282.19226	0.4
282.22034	1.6
300.02646	0.5
300.05988	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.2471
Annotation	Stearolic acid
Peak:m/z	Relative Intensity
51.85666	2.2
55.05505	69.4
56.96555	3.8
57.03424	3.3
57.07071	31.0
59.04986	2.1
67.05167	3.4
67.05495	52.2
69.03402	4.9
69.07063	100.0
71.04972	6.7
71.08630	11.7
71.33209	3.4
71.33541	4.0
71.97289	1.9
79.05492	19.3
79.15781	2.0
81.07045	65.3
83.04964	5.7
83.08135	4.0
83.08611	78.5
85.02886	2.8
85.06543	4.8
85.10178	4.8
91.05473	18.5
91.53889	2.2
93.07040	28.8
95.08599	67.7
96.77487	2.4
97.06525	11.1
97.10155	63.3
98.97566	6.5
99.08089	4.2
100.80124	2.3
101.06002	2.4
105.07021	20.6
107.08577	22.0
109.06493	3.8
109.10148	32.6
111.08061	7.0
111.11720	24.5
116.98595	5.0
119.08585	20.0
121.10122	27.5
123.08044	7.3
123.11697	14.8
125.09605	3.7
125.13247	9.0
133.10097	23.5
134.99576	2.5
135.11685	18.2
137.09584	7.9
137.13239	6.0
137.55887	2.7
139.11159	2.5
147.11691	17.0
149.02377	4.6
149.13281	17.0
150.02641	6.4
151.02853	7.1
151.11171	6.6
153.12755	5.3
154.94133	2.5
155.08937	5.1
161.13254	13.7
163.14783	9.3
165.12703	5.7
165.16426	2.8
167.14307	4.6
169.14265	2.3
172.95270	5.5
175.14799	8.8
177.00566	2.7
179.14320	6.6
179.17972	3.0
181.15785	3.8
189.16373	7.2
190.96297	6.0
193.15898	4.3
195.11627	2.3
199.22794	2.5
204.01581	2.1
207.17410	4.6
221.18877	2.5
221.22571	4.3
228.97749	4.1
240.11932	9.2
240.62195	4.6
245.22610	26.5
246.98883	5.3
263.23691	30.2
281.19003	5.1
281.22699	12.1
281.24823	19.8
281.29547	9.9
282.18613	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	281.1743
Annotation	3,4-Epoxy-6-methylcyclohexylmethyl-3,4-epoxy-6-methylcyclo-hexanecarboxylate
Peak:m/z	Relative Intensity
53.03930	9.5
55.01852	9.6
55.05502	86.6
56.96543	4.8
57.03426	24.6
57.07051	13.2
65.03918	4.8
65.49826	3.6
67.05161	7.0
67.05492	74.7
69.03410	18.3
69.06715	5.1
69.07059	75.1
69.75414	3.4
70.06577	10.4
70.25189	14.2
70.25586	5.9
71.04977	10.8
73.06535	5.1
74.50869	3.4
79.05479	100.0
81.03403	19.4
81.07043	86.2
83.04966	26.8
83.08605	29.1
84.08132	8.1
85.02900	8.7
85.06532	10.0
86.09669	4.5
87.04436	5.6
91.05463	57.4
93.06461	5.5
93.07028	90.4
93.50008	3.5
95.04957	27.9
95.08594	72.5
97.02876	4.8
97.06525	33.0
97.10152	77.4
99.04359	4.6
99.08064	8.8
100.07553	5.4
100.11235	76.2
105.06999	43.4
107.04934	9.7
107.08578	42.6
109.06453	26.8
109.10125	34.3
111.04410	4.2
111.08038	4.9
111.11727	4.1
112.07594	4.1
113.05996	18.9
115.07550	5.3
117.06989	16.3
117.13832	7.1
119.08553	36.2
121.06474	10.1
121.10126	34.9
123.08061	27.2
123.11685	11.9
125.05960	4.3
125.09618	23.1
127.07557	6.3
127.11208	4.3
129.06987	14.5
131.08569	17.2
133.06448	7.7
133.10126	20.5
135.08031	32.8
135.11658	7.7
137.09569	10.6
137.13242	8.7
139.07501	6.0
143.06999	28.0
143.08511	11.3
143.10634	12.2
145.10107	10.9
147.08040	11.0
147.11649	25.1
149.02327	15.8
149.09615	14.8
150.02647	15.6
151.02808	13.4
151.07549	6.2
157.10028	5.6
159.08069	4.3
161.08073	9.8
161.09567	11.3
161.13232	14.3
165.09062	9.7
171.11649	19.3
173.13133	3.8
175.11180	7.3
177.09010	10.0
182.15366	26.3
187.11087	4.2
189.12706	13.4
189.16374	4.4
195.10207	6.4
199.14952	7.5
199.18016	49.5
207.13747	8.2
217.15938	7.5
227.14221	4.0
234.40614	3.4
245.15350	15.2
245.22583	10.5
263.16360	40.3
263.23679	12.1
281.17358	58.9
281.22171	58.7
281.24774	25.0
299.06122	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	281.1015
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09452	1.2
55.01869	1.3
55.05492	4.5
56.96565	1.8
57.03408	1.3
57.07064	3.6
67.05493	6.0
69.03417	2.6
69.07060	6.9
69.98904	5.5
70.06589	2.6
70.07790	1.0
71.04977	2.8
71.39284	1.1
72.93780	1.1
79.05469	5.8
80.54574	1.2
81.03388	1.1
81.07050	12.8
83.04922	1.7
83.08600	1.9
83.69366	1.2
84.08128	2.4
85.02896	2.1
86.09729	1.3
91.05461	8.6
93.07013	5.5
95.04971	2.2
95.08591	6.4
97.10107	1.6
98.20826	1.9
98.97582	1.3
105.07006	7.3
107.04936	1.3
107.08557	4.7
109.06512	4.0
109.10141	3.4
115.05403	2.1
116.98550	2.0
117.06998	5.8
119.08562	4.1
121.10120	2.2
123.08027	2.0
123.11589	1.3
129.06975	2.4
131.04884	1.4
131.08556	4.4
133.06407	1.5
133.10118	2.1
134.99658	1.7
135.04448	1.3
135.08037	3.4
135.37785	1.0
137.09541	1.1
137.13197	1.6
143.08560	2.5
145.06465	10.0
145.10043	1.7
147.04391	1.3
147.08046	3.2
147.11699	2.0
149.02284	3.5
149.09570	2.0
150.02663	5.0
151.02820	4.7
151.07457	1.4
159.08066	6.0
159.11710	1.7
161.05911	1.7
161.09599	4.9
163.03899	4.0
163.07555	5.2
165.09071	1.4
169.10121	1.3
171.11676	1.2
173.05969	17.0
175.07530	5.7
176.04590	2.5
177.05359	1.1
178.06268	1.8
189.05421	8.1
191.06984	18.3
191.08606	1.7
191.10622	8.1
199.14738	1.0
201.05432	4.4
202.06161	1.3
203.06996	10.1
204.07803	7.8
205.08504	2.4
207.02760	1.1
207.06488	2.2
215.03387	2.3
217.05042	2.3
217.08569	4.0
219.10117	15.9
221.08055	6.9
230.05782	1.4
231.06459	6.2
235.09506	2.1
245.08049	9.2
245.15268	2.3
249.07230	1.5
263.09100	100.0
263.16446	3.0
264.09354	2.8
281.04797	4.6
281.10159	67.5
281.13568	2.4
282.10571	1.7
299.06046	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	281.1015
Annotation	Xestodecalactone C
Peak:m/z	Relative Intensity
53.03926	0.9
55.01864	1.0
55.05489	2.4
56.24399	0.9
56.96538	1.5
57.03422	1.5
57.07064	1.8
63.02470	0.8
64.25553	0.9
67.05486	3.7
69.03396	1.9
69.07043	3.5
69.40444	3.8
69.40868	3.9
70.06570	1.1
71.04973	1.5
79.05483	4.2
79.05885	0.9
81.07039	9.6
83.04949	1.4
83.08627	1.3
84.04506	0.9
84.08093	1.4
85.02886	1.8
85.06542	1.1
88.21498	0.8
91.05454	5.7
93.07024	5.5
95.04929	2.3
95.08566	4.2
97.02808	0.9
97.06521	1.1
97.10125	1.2
98.97552	2.2
105.07033	4.5
107.04963	1.6
107.08575	2.4
109.06470	3.4
109.10138	1.8
115.05437	2.4
116.98595	1.6
117.06998	6.4
119.04942	1.5
119.08524	3.5
121.06506	1.1
121.10130	2.7
123.08036	1.9
123.11681	1.0
129.06967	2.6
131.08580	4.8
133.06468	1.1
133.10066	2.3
134.80911	1.0
135.08025	3.3
143.08493	1.1
144.05670	1.5
145.06461	9.5
145.10114	1.4
147.08020	3.5
147.11647	1.8
149.02292	2.0
149.09569	1.3
149.13362	0.8
150.02615	4.1
151.02837	4.0
151.07426	1.6
159.08015	5.6
160.05232	1.2
161.05923	3.4
161.09610	3.2
161.13254	0.9
163.03894	2.6
163.07483	6.9
165.09099	1.3
170.10942	1.0
171.11597	1.2
173.05949	18.1
175.07526	5.6
176.04733	1.7
177.05424	1.5
177.09081	1.1
178.06223	2.1
189.05447	9.9
191.06993	17.7
191.08632	1.5
191.10612	9.7
199.14691	1.1
201.05450	5.4
202.06337	1.1
203.07004	9.7
204.07727	9.0
205.08533	2.0
207.13872	1.0
217.04945	2.3
217.08542	2.6
219.06622	1.1
219.10141	15.2
221.08060	12.8
230.05652	1.3
231.06546	7.1
234.92189	1.3
235.09564	1.2
245.08101	7.4
245.15245	1.4
249.07512	1.9
252.93149	1.1
263.09094	100.0
264.09427	2.1
281.04819	3.4
281.10159	59.2
282.10458	2.5
299.06067	1.5
300.17776	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	280.2268
Annotation	Stemaphylline
Peak:m/z	Relative Intensity
55.05502	1.4
57.07063	2.0
58.07391	0.6
65.03924	0.2
67.05500	3.1
68.05815	0.5
69.07049	1.1
70.07391	0.2
71.04972	1.3
71.63308	0.3
72.04503	1.0
75.81165	0.2
79.05465	0.9
81.03347	0.3
81.07050	3.0
82.04159	0.3
82.06560	0.8
82.07356	0.6
82.31056	0.2
83.04948	0.7
83.08601	0.8
84.08083	0.3
85.06509	0.3
86.02441	0.2
91.05460	0.6
93.07031	1.0
94.06545	1.9
94.07065	0.3
94.07337	0.2
95.04931	0.4
95.08600	1.9
96.08096	0.8
96.08939	0.4
97.10162	0.6
98.06047	0.5
99.08078	0.2
105.07008	0.6
107.08572	0.5
108.08107	0.8
108.08891	0.2
109.06468	0.3
109.10136	0.7
110.06037	0.8
110.09701	0.2
110.10429	0.3
111.11703	0.3
112.07551	0.3
112.64590	0.2
113.35365	0.2
119.08574	0.4
121.10110	0.4
122.03223	0.3
122.06013	0.6
123.06739	0.4
123.11642	0.4
124.07558	1.8
126.05500	1.1
128.07065	0.3
133.10123	0.3
135.11723	0.3
136.07549	1.2
138.09103	0.7
147.11656	0.3
149.02322	6.6
150.02657	6.8
152.07040	1.4
153.06046	0.2
153.07794	1.0
154.08607	20.8
155.08897	0.4
185.48322	0.2
244.10402	0.3
245.22603	0.5
262.22333	0.3
263.23801	0.5
280.22675	100.0
281.22989	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	281.0698
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.2
55.01853	6.5
55.05491	3.7
56.96547	5.9
57.03425	17.9
59.90710	1.6
60.42993	1.3
61.02908	11.1
69.03417	25.9
69.27654	17.2
71.04978	1.9
72.08141	35.0
73.02908	25.4
81.03401	8.4
84.96003	2.0
85.02891	60.5
87.04446	4.6
91.03944	3.1
91.05444	3.4
97.02877	24.6
98.01283	2.0
98.97568	50.7
99.04421	5.5
101.00734	3.0
101.02310	2.7
104.01239	4.4
109.02860	4.2
110.01247	8.3
110.97543	12.8
113.01751	2.3
115.03956	1.6
116.01250	2.7
116.98603	29.2
117.02001	4.2
119.01797	13.6
119.04942	3.2
119.51949	2.3
120.08051	4.8
125.01761	5.5
127.03905	19.3
128.02310	7.5
128.04207	1.9
128.98564	17.4
131.00154	1.7
131.01779	4.1
133.01694	2.0
134.02325	1.8
134.99626	8.3
136.07561	19.0
137.01782	4.5
137.02841	1.5
140.02304	7.5
143.00128	4.0
143.01785	1.9
145.04924	8.0
146.02254	11.8
146.99634	13.0
149.02843	2.4
150.07735	1.7
152.02266	7.5
155.02844	16.0
155.21851	1.7
155.53001	2.1
158.99615	38.0
161.01273	3.6
161.02802	11.1
164.03369	2.4
170.03386	8.1
170.99637	12.1
173.01237	2.4
173.02820	4.3
177.00690	35.0
182.03328	19.7
182.08189	3.6
182.53513	2.1
182.99698	2.3
189.00687	25.5
191.03851	82.5
191.54010	9.1
195.01726	3.6
200.04384	100.0
200.54555	10.8
201.00713	7.9
202.54665	2.3
207.01624	4.5
209.04913	20.4
211.55188	6.4
213.00661	1.6
219.01755	25.0
220.55623	4.6
231.01637	4.2
237.02803	10.6
249.02843	7.4
255.03801	4.5
261.02802	4.2
263.06021	1.7
272.06470	5.2
279.03778	19.0
281.07092	8.0
281.14835	2.1
281.57141	1.6
291.03900	2.2
297.04813	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	279.2315
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
54.91410	1.3
55.05489	5.4
57.07061	8.2
65.03927	2.3
67.05496	95.8
69.07058	7.5
69.75105	5.6
69.75516	2.9
79.05483	7.8
81.07047	100.0
83.04974	1.4
83.08592	4.4
91.05466	3.1
93.07037	10.2
94.18815	1.2
95.08595	75.6
96.08932	1.8
97.06477	2.1
97.10171	1.8
98.20821	2.9
104.40834	1.3
105.06998	2.2
107.08562	6.6
109.06512	1.4
109.10145	43.0
114.14582	1.3
119.08560	3.9
121.02866	1.9
121.10138	6.7
123.11697	28.6
125.09592	1.5
131.08513	2.9
133.10112	2.7
135.11623	3.2
136.16867	1.2
137.13229	11.6
145.10054	1.7
147.11652	3.1
149.02319	53.7
149.09506	1.4
149.13275	2.5
151.14806	4.4
159.11717	1.9
161.13246	2.7
163.11195	1.7
165.12772	2.3
173.13231	3.3
175.02855	1.2
176.35884	1.2
177.16382	1.6
187.14830	2.3
195.13795	3.7
201.16380	2.0
209.15280	3.9
219.05754	1.7
223.16925	4.8
237.18430	1.7
243.21080	4.2
256.70847	1.2
261.22131	5.6
265.07489	1.2
279.12265	1.7
279.23157	60.8
280.23392	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	279.2314
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
55.05505	7.8
57.07063	2.5
57.91885	0.8
65.03921	3.0
66.91499	1.0
67.05495	100.0
68.05811	1.3
69.06779	0.7
69.07064	9.6
69.86322	5.3
71.04976	1.3
72.97219	0.8
73.14471	0.9
79.05476	12.1
81.07043	96.9
82.07373	2.0
83.04972	1.6
83.08606	6.5
85.06536	2.1
91.05459	2.9
93.07030	11.0
95.04971	1.6
95.08593	89.5
96.08894	1.5
97.06474	1.0
97.10146	3.9
105.07015	3.3
107.08573	8.9
109.06525	1.2
109.10144	27.0
111.08070	0.9
111.11686	1.6
117.07007	1.7
119.08558	2.9
121.02932	0.8
121.10125	5.6
123.08057	1.1
123.11688	16.7
131.08563	6.3
133.10110	2.5
135.11705	5.3
137.09625	1.3
137.13245	15.3
145.10112	2.5
147.11668	3.2
149.02322	14.9
149.09624	1.5
149.13245	5.0
151.11113	0.9
151.14854	4.9
153.12704	0.9
159.11658	3.3
161.13222	2.4
163.11122	1.6
163.14809	3.1
165.12825	1.0
165.16364	2.0
173.13254	9.0
177.12712	4.0
177.16409	1.3
181.12291	2.0
187.14763	3.3
191.14294	2.8
195.13751	3.7
202.24355	1.0
205.15810	1.4
209.15308	5.4
219.21164	1.0
223.16914	3.9
237.18445	1.4
243.21121	3.0
261.22083	3.4
267.28644	0.8
279.23148	44.2
280.23502	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2314
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
53.80885	0.7
55.05503	7.7
57.07061	5.8
61.42472	0.8
65.03915	2.1
67.05492	100.0
68.05814	1.6
69.07059	9.1
69.86051	1.8
69.86464	4.0
71.04964	1.9
71.08620	0.9
72.33327	0.8
79.05476	11.3
81.07040	95.2
82.07372	1.3
83.04964	1.5
83.08615	4.2
85.06506	1.8
88.04343	1.0
91.05457	3.1
93.07024	10.3
95.08591	84.8
96.08930	2.1
96.61634	0.9
97.10133	2.3
98.20732	1.5
105.07006	3.1
107.08570	5.8
109.06493	1.2
109.10141	28.4
117.06985	1.3
119.08564	3.4
121.10129	5.4
123.08025	1.1
123.11689	17.7
131.08553	5.5
133.10130	2.5
135.11700	4.8
137.13234	15.2
145.10110	3.2
147.11646	3.3
149.02316	21.0
149.09573	1.4
149.13220	4.7
150.02635	1.2
151.14812	4.3
158.69144	0.9
159.11668	3.5
161.13190	2.7
163.11113	1.9
163.14795	2.0
165.12733	1.3
167.10609	1.5
168.05287	0.9
173.13222	5.6
177.12737	2.3
179.14354	1.9
181.12251	2.4
183.98386	0.8
187.14799	2.3
191.14267	2.9
195.13803	3.3
205.15800	1.4
209.15253	5.3
219.21043	1.1
223.16869	3.2
229.35036	0.8
243.21129	3.0
261.11270	0.9
261.22150	2.9
279.11902	1.6
279.23145	37.6
280.23532	1.1
283.66959	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1698
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30412	0.3
56.05043	0.3
57.05814	0.3
57.07068	7.7
61.12313	0.3
64.61565	0.3
65.03928	0.7
67.05496	0.4
69.07057	11.0
70.06577	0.9
71.05488	0.7
72.08152	0.3
74.72016	0.3
79.05481	0.3
81.07043	0.6
84.08121	0.5
85.02914	0.4
85.35571	0.3
86.09692	100.0
87.10022	0.6
93.07040	0.3
120.08091	7.9
121.02856	1.8
129.10266	0.3
149.02319	53.3
150.02650	1.1
150.09296	0.2
153.34135	0.2
163.48172	0.3
166.08609	5.8
167.03409	1.5
173.05983	0.5
193.08258	0.2
201.05519	0.3
205.08533	0.6
207.06430	0.5
233.16423	0.6
243.10133	0.5
251.10567	0.6
261.11172	0.7
279.09665	0.3
279.12433	1.7
279.16986	4.8
280.11740	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1697
Annotation	H-Ile-Phe-OH
Peak:m/z	Relative Intensity
57.07063	3.5
62.49437	0.2
65.03938	0.3
69.07038	0.5
70.68695	0.2
70.90952	0.5
81.07040	0.6
86.09689	100.0
87.10007	1.4
93.07035	0.6
103.05437	0.7
107.66148	0.3
120.08081	22.2
121.02848	1.0
121.08414	0.5
132.10214	0.4
149.02312	28.2
150.02556	0.4
166.08612	10.2
167.03366	0.6
167.08980	0.4
205.08640	0.4
224.35628	0.3
229.25058	0.3
233.16422	1.4
243.10149	0.5
261.11246	0.5
261.14944	0.3
279.09476	0.5
279.12396	1.5
279.16986	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	279.137
Annotation	Pantetheine
Peak:m/z	Relative Intensity
55.05500	0.5
57.07068	13.3
57.66299	0.4
61.00909	0.4
61.01141	3.8
65.03920	0.9
67.05477	1.3
69.07038	0.7
69.89269	1.2
69.89703	1.8
70.06574	1.3
71.06097	0.4
72.04506	5.6
72.08154	0.7
74.06051	0.6
78.03778	8.1
79.05486	0.5
81.07040	1.2
83.08588	0.6
84.08125	1.2
85.02872	0.5
85.06532	1.0
86.09691	1.7
88.02202	1.8
90.05540	0.5
91.05447	0.7
95.04943	0.7
95.08604	0.5
95.46130	0.5
99.05589	0.9
102.03755	12.3
113.05975	0.9
113.10661	0.4
117.09112	0.7
120.04772	1.3
121.02838	3.4
124.07521	0.5
129.10239	0.8
130.08539	0.5
131.06348	6.0
132.04765	7.5
142.08661	1.0
149.02321	100.0
149.07417	40.6
159.05890	0.7
161.06007	0.7
167.03423	2.1
173.06111	0.6
184.09634	0.8
189.05287	0.5
191.72174	0.5
202.10695	0.6
205.08556	1.5
215.10544	0.5
215.13997	0.6
243.09985	0.8
260.19586	0.5
261.12680	12.9
279.12167	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1222
Annotation	Ulopterol
Peak:m/z	Relative Intensity
55.01832	0.7
57.03414	0.9
57.06814	0.8
57.07065	11.0
59.04979	1.9
59.07912	0.5
65.03919	0.9
67.05483	1.3
69.03415	1.7
69.07057	0.7
69.68143	3.7
71.04977	1.6
77.03928	0.6
79.05460	0.8
79.11859	0.6
81.07063	1.2
85.06534	0.8
91.05453	0.8
95.08587	0.6
105.07016	2.0
107.04960	1.2
115.05434	1.3
117.06988	2.7
119.08593	0.6
119.77447	0.6
121.02820	2.2
121.06459	1.3
133.06467	2.0
135.04395	0.6
144.98048	0.5
145.06458	10.9
147.04356	4.5
147.08009	2.3
149.02315	71.2
149.05937	2.4
159.07965	1.0
161.05956	13.6
161.09631	1.0
163.03860	3.3
163.07523	0.9
167.03386	1.8
169.10080	1.0
171.08025	1.3
173.05942	22.4
174.06480	0.7
175.07524	2.1
177.05420	0.8
178.58720	0.6
185.05983	0.7
187.11142	0.6
189.05434	33.8
189.09053	2.1
191.03369	0.8
191.06998	9.6
191.08539	0.4
195.06438	0.9
197.09561	2.8
199.07498	2.2
200.08257	0.6
201.05437	29.3
203.07016	1.7
205.08597	1.7
207.06491	72.1
208.06839	1.3
213.05418	0.9
215.07214	0.7
215.10638	7.9
217.08537	2.1
217.12186	2.2
219.06477	52.0
220.06781	1.1
221.08057	1.5
225.09058	6.1
228.07814	2.4
233.11682	1.8
243.10120	24.9
244.87923	0.6
261.11176	100.0
262.11542	2.2
273.10178	0.5
279.12259	45.4
279.35696	0.5
280.12631	0.9
304.97366	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1222
Annotation	Ulopterol
Peak:m/z	Relative Intensity
50.81118	0.1
55.01856	0.3
55.05497	0.4
56.95060	0.1
57.03419	0.4
57.07069	2.6
59.04991	0.3
65.03941	0.2
67.05493	0.3
69.03410	1.0
70.77988	0.2
71.02840	0.3
71.03215	0.4
71.04990	0.4
74.19080	0.2
75.67482	0.1
77.03951	0.2
79.05486	0.5
81.07037	0.7
85.06499	0.3
86.09694	1.0
91.05470	0.4
93.07027	0.4
95.08598	0.3
99.08087	0.3
105.07020	1.0
107.04936	0.8
109.06499	1.1
109.10151	0.2
115.05486	0.2
117.07004	0.7
121.02883	0.8
121.06458	0.8
123.08028	0.3
131.04904	0.5
131.08568	0.3
133.06483	0.8
135.04399	0.7
137.05957	5.6
141.06982	0.3
142.32074	0.2
143.08482	0.2
145.06453	7.0
145.10126	0.4
147.04404	0.6
147.08012	0.2
149.02318	19.4
149.05917	1.4
151.07536	0.3
154.07742	0.5
157.06396	0.2
158.07236	0.4
159.04422	0.5
159.08046	1.0
159.11649	0.3
160.05226	0.4
161.05959	5.3
163.03902	0.4
163.07533	1.3
167.03387	0.2
169.10037	1.0
172.08879	0.3
173.05960	15.7
173.09378	0.8
174.06532	0.4
175.07541	0.7
177.05380	0.2
179.03392	0.5
179.07034	3.6
179.08495	0.7
182.07236	0.7
183.08025	0.3
185.05948	0.3
187.07545	1.1
187.11157	1.7
189.05440	11.6
189.09018	0.4
191.06990	7.1
191.10640	0.5
197.09563	2.4
199.07439	0.2
200.08261	0.7
201.05435	9.0
201.09003	1.0
202.05795	0.2
203.07053	0.4
205.08553	0.4
205.12218	0.6
207.06482	5.6
207.08337	0.4
210.06784	0.3
213.05392	1.4
215.07246	0.3
215.10634	10.5
216.11021	0.2
217.12209	0.6
219.06505	4.2
225.09081	4.3
226.09447	0.2
227.07013	0.4
228.07774	3.7
233.11687	5.7
243.10138	27.0
244.10471	0.6
261.11182	15.6
262.11420	0.2
279.12222	100.0
280.12619	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1222
Annotation	Ulopterol
Peak:m/z	Relative Intensity
55.05503	0.4
57.07056	1.4
59.04988	0.3
63.01316	0.3
69.03410	1.1
70.96904	0.6
70.97277	0.6
77.65032	0.3
79.05455	0.4
81.07040	0.3
88.07582	0.5
89.21332	0.3
91.05452	0.4
105.07003	0.9
107.04923	0.6
109.06515	0.9
111.32096	0.4
115.05479	0.5
117.06976	1.0
121.06487	0.9
131.04817	0.4
133.06419	1.1
135.04369	0.6
137.05943	5.9
141.07007	0.5
145.06454	6.8
147.04355	0.4
149.01138	0.5
149.02313	9.3
149.05963	0.9
149.09572	0.4
159.04396	0.4
159.08008	1.1
161.05949	5.1
163.03893	0.4
163.07457	1.5
169.10124	0.6
169.77879	0.3
173.05954	13.2
173.09566	0.7
175.07501	0.4
177.05432	0.5
179.07048	3.1
179.08505	0.7
182.07211	0.3
186.18477	0.5
187.07503	0.9
187.11143	1.3
187.18852	0.7
189.05424	10.5
191.06993	6.0
197.09564	1.8
200.08334	0.8
201.05440	7.4
201.09050	0.7
205.08644	0.4
205.12222	0.6
207.06511	3.5
213.05415	1.7
215.10620	10.1
217.12151	0.7
219.06502	3.9
225.09050	4.3
228.07730	2.8
233.11687	6.2
243.10133	25.5
244.10519	0.8
261.11194	14.7
279.12219	100.0
279.23532	4.4
280.12592	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	279.1223
Annotation	Marasmone
Peak:m/z	Relative Intensity
57.07068	3.2
57.22498	0.4
67.05496	0.7
69.03409	1.0
70.15121	0.7
70.15527	1.5
71.04964	1.8
81.07035	0.7
85.95285	0.4
105.07014	1.3
107.04926	0.9
109.06469	1.0
117.06976	0.5
121.02844	1.0
133.06496	0.7
134.35477	0.5
135.04395	1.4
137.05945	3.9
141.07001	0.8
145.06468	2.5
147.04369	0.5
149.02321	19.1
159.07953	0.5
161.05952	4.8
163.07484	1.2
169.10083	1.3
173.05969	8.3
173.09476	0.9
179.06999	4.9
179.08502	1.3
182.07222	0.9
187.11166	1.0
189.05431	14.3
191.06995	4.0
191.08449	0.6
191.10521	0.7
197.09599	3.8
200.08318	0.9
201.05405	2.7
201.09007	0.6
207.06488	17.9
208.06781	0.6
213.05458	1.5
215.10637	6.7
217.12183	0.9
219.06551	2.3
225.09087	7.9
228.07771	2.6
233.11685	4.7
243.07628	1.0
243.10138	17.8
251.12741	0.8
261.11176	29.0
262.11493	0.6
279.12231	100.0
280.12561	3.7
297.14233	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1222
Annotation	Ulopterol
Peak:m/z	Relative Intensity
55.05507	0.4
57.07058	1.3
57.58170	0.3
59.04961	0.6
68.18085	0.3
69.03409	0.7
69.56112	0.3
70.38633	0.5
70.39035	0.8
71.04985	0.4
75.74352	0.4
77.03966	0.4
81.07030	0.5
95.08536	0.4
105.06989	1.1
107.04923	0.6
109.06470	0.7
117.06982	0.8
121.06470	0.7
126.61897	0.5
133.06488	0.6
135.04375	0.7
137.05943	6.2
145.06468	6.1
147.04398	0.4
147.07994	0.5
149.02313	7.2
149.05956	1.3
154.07870	0.4
155.72792	0.4
159.08043	1.1
160.05127	0.5
161.05946	5.0
163.07494	1.3
169.05556	0.4
169.10077	0.9
173.05962	13.2
173.09514	0.6
175.07484	0.4
179.03342	0.8
179.07013	3.0
179.08456	0.7
182.07246	0.4
187.07568	0.6
187.11145	1.4
189.05434	9.9
189.45050	0.4
191.06989	6.3
191.10612	0.8
197.09612	2.3
201.05443	7.5
201.09103	1.1
205.08391	0.4
205.12206	0.8
207.06499	4.5
213.05453	1.3
215.10649	8.7
216.10994	0.4
217.12051	0.5
219.06494	4.8
225.09050	4.4
228.07768	3.9
233.11690	5.5
243.10124	26.5
244.10457	0.9
261.11182	16.1
262.11734	0.5
279.12219	100.0
280.12534	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	279.0473
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96564	7.1
63.72514	3.2
71.61112	4.7
71.82635	3.9
96.92212	10.8
98.91929	29.5
98.97570	76.5
100.64342	2.7
104.10751	3.7
110.97581	8.8
112.89614	9.9
114.89330	24.1
116.12018	3.0
116.98605	71.3
128.98593	12.9
129.04051	2.8
134.99649	50.5
136.94043	6.4
139.91493	5.6
146.99661	13.9
149.02415	4.5
153.00694	13.2
157.48630	3.3
158.99637	30.3
170.99664	7.0
177.00699	100.0
180.97639	4.0
182.97353	3.2
188.26956	2.9
189.00682	19.9
195.01816	14.0
200.02347	5.8
200.53029	2.9
207.01810	12.8
219.01697	14.8
221.01796	4.5
237.02843	13.5
255.03755	7.9
257.02649	4.8
279.04718	95.2
279.09534	9.3
280.09076	5.5
297.04974	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	279.1221
Annotation	Ulopterol
Peak:m/z	Relative Intensity
51.14626	0.4
52.50508	0.4
59.04987	0.6
65.33019	0.4
66.60278	0.5
69.03407	1.1
70.48940	0.9
70.49309	0.9
71.04964	0.5
71.58488	0.4
91.05434	0.4
105.06999	0.8
109.06487	1.0
117.06976	0.6
121.06472	1.0
129.06927	0.4
133.06444	1.1
135.04361	0.6
137.05956	4.6
145.06448	7.4
147.07895	0.4
149.02312	1.2
149.05995	0.7
159.04381	0.7
159.07930	0.8
161.05942	5.5
163.07535	0.8
169.10085	0.9
173.05954	13.8
173.09531	0.7
175.07613	0.6
177.05368	0.6
179.06989	3.9
179.08432	0.8
187.07503	1.0
187.11107	2.3
189.05428	11.5
191.07001	6.6
197.09508	2.2
199.48814	0.5
200.08279	0.8
201.05432	7.2
201.09160	0.7
205.12180	0.6
207.06445	4.7
213.05399	1.5
215.07170	0.5
215.10648	8.7
217.12254	0.6
219.06519	4.0
224.51343	0.6
225.09024	3.6
228.07770	3.0
233.11649	6.1
243.10130	26.3
261.11179	15.8
279.12210	100.0
280.12585	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2159
Annotation	Stearidonic acid
Peak:m/z	Relative Intensity
51.02374	0.4
53.03926	1.8
55.01862	3.4
55.05260	0.9
55.05503	13.1
57.03423	1.5
57.07055	3.9
58.00903	0.5
60.64881	0.6
62.85815	0.5
65.03924	1.0
67.05493	31.6
69.03419	0.8
69.07056	12.7
69.64058	3.6
71.04987	2.4
71.08612	3.9
74.45200	0.5
79.05479	28.5
81.03406	3.1
81.07040	27.3
83.04964	2.8
83.08595	7.1
85.06527	2.7
91.05463	15.1
93.07027	42.0
94.04168	0.7
94.07928	0.5
95.04942	7.5
95.08589	18.4
97.06509	3.6
97.10177	3.1
98.21455	1.1
99.08081	3.5
105.07015	12.0
107.04926	2.5
107.08574	23.9
109.06485	3.9
109.10137	11.3
111.08065	1.6
117.07005	2.8
119.08562	9.6
121.06475	1.2
121.10118	15.2
123.08043	2.2
123.11676	3.6
125.09599	1.9
129.06955	1.9
131.08546	3.8
133.10104	8.1
135.08018	1.7
135.11661	15.8
137.09573	1.6
137.13269	0.9
139.11192	1.3
143.08537	1.7
145.10104	4.0
147.08037	1.2
147.11670	6.6
149.02313	0.5
149.09547	1.4
149.13237	10.3
151.03899	0.5
151.11133	4.3
153.09132	0.8
153.12726	0.9
157.10141	1.8
159.11653	3.6
161.05901	0.7
161.09569	1.4
161.13261	5.7
162.06732	1.0
163.11148	3.5
163.14754	3.5
165.09055	1.1
165.12708	2.9
167.10672	0.8
167.14212	0.5
171.11649	3.1
173.11885	0.6
173.13252	2.1
175.07497	0.9
175.11145	1.6
175.14801	2.7
177.12726	1.6
179.10672	0.9
179.14284	1.9
180.07840	0.9
181.12187	1.7
185.13208	1.8
187.14812	0.5
189.12680	1.9
193.08574	3.5
193.12186	0.9
195.13731	0.9
199.14801	1.9
201.16380	0.5
203.14320	0.6
207.13745	1.2
209.15399	0.5
215.17952	0.7
217.12154	2.5
217.19502	1.8
221.15308	2.2
231.17473	0.7
231.20975	2.7
235.13269	7.4
235.16820	2.4
241.19456	4.3
249.22197	1.0
259.20520	8.9
268.01352	0.5
277.14850	3.8
277.21573	100.0
278.21884	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	277.2158
Annotation	Stearidonic acid
Peak:m/z	Relative Intensity
53.03939	5.3
55.01859	2.2
55.05508	18.4
57.07050	3.5
58.97572	0.9
65.03900	1.4
67.05495	31.7
69.06710	1.2
69.07062	14.5
70.80913	2.8
71.04967	2.3
79.05482	71.9
81.07048	33.2
83.04976	1.6
83.08606	8.0
85.06534	1.5
91.05466	31.3
93.07032	100.0
95.04950	6.5
95.08592	23.0
97.06487	1.7
97.10146	6.1
105.04520	1.0
105.07007	14.7
107.08581	52.1
109.06471	2.0
109.10155	10.4
111.08041	1.9
117.07017	2.9
119.08549	10.6
121.10126	42.8
123.08028	1.0
123.11676	2.9
124.23993	0.9
125.09570	2.0
129.06989	1.5
131.08588	4.9
133.10121	12.6
135.08049	1.5
135.11670	50.1
137.13359	1.0
143.08504	2.0
145.10107	2.9
147.11691	7.8
149.09564	1.1
149.13234	20.9
157.10143	2.2
159.11691	3.5
161.13255	4.8
163.11095	1.4
163.14822	5.9
171.11688	2.0
173.13246	2.8
175.11124	1.3
175.14780	2.2
181.12181	1.5
185.13176	2.4
189.12743	1.8
195.13815	1.8
199.14819	1.6
207.13814	1.8
213.16379	1.9
221.15317	3.9
231.17517	1.1
231.21164	1.3
235.16931	4.9
241.19453	2.1
259.20520	4.6
277.21588	91.0
278.21921	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	277.2155
Annotation	Stearidonic acid
Peak:m/z	Relative Intensity
51.02354	0.7
53.03928	2.7
55.01860	3.4
55.05499	11.9
57.03429	1.6
57.07058	3.7
65.03928	1.4
67.05494	30.7
69.03414	0.8
69.06710	1.1
69.07060	12.1
70.99858	1.7
71.04972	2.4
71.08224	0.8
71.08619	19.7
79.05480	32.7
80.05862	0.6
81.03399	4.9
81.07040	30.2
83.04951	2.2
83.08612	6.6
84.55915	0.6
85.02908	1.1
85.06516	2.6
91.05466	19.0
93.07027	47.6
95.04954	8.0
95.08595	18.9
95.09148	0.4
97.06529	3.3
97.10153	3.8
99.07474	1.1
99.08076	15.7
103.37100	0.7
105.07010	14.8
107.04967	3.4
107.08573	24.0
109.06512	4.0
109.10144	9.7
111.08047	1.8
113.05992	0.6
117.07001	4.1
119.08565	10.7
121.06495	2.7
121.09298	1.1
121.10125	15.9
123.08051	2.2
123.11671	2.2
124.86468	0.6
125.09600	1.7
129.07010	3.5
131.08565	4.4
133.06473	0.7
133.10109	8.6
135.08040	1.3
135.11671	16.7
137.09624	1.5
137.13228	1.7
139.07573	0.7
139.11176	1.0
141.12709	2.8
143.08514	2.8
145.10092	5.3
147.07906	0.9
147.11653	8.4
149.02441	0.6
149.09569	1.5
149.12152	1.0
149.13229	10.9
151.11163	11.9
153.09045	0.8
157.10068	2.0
159.11655	2.5
161.09543	2.3
161.13237	8.9
162.13506	0.7
163.11157	13.9
163.14798	5.6
165.12753	2.7
167.10670	0.9
169.12216	2.1
171.11739	3.4
173.13289	3.2
175.11226	1.0
175.14795	3.7
177.12668	2.0
177.16405	0.7
179.10664	1.0
179.14291	4.1
181.12213	1.6
185.13199	3.3
189.12666	1.4
189.16341	0.8
193.12209	1.2
195.13737	1.8
199.14803	2.0
203.14310	1.1
203.21208	0.7
207.13763	2.3
217.19530	1.2
221.15326	3.0
231.17174	0.7
231.20987	1.3
235.16890	2.4
241.19467	6.3
259.20520	11.8
267.61526	0.8
277.10614	1.5
277.21576	100.0
278.22055	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2157
Annotation	coniferonic acid
Peak:m/z	Relative Intensity
53.03920	4.1
55.05499	16.7
57.07056	3.8
57.26848	1.2
62.58343	1.3
65.03899	1.8
67.05493	36.2
69.03404	1.6
69.07052	14.6
71.04980	1.9
71.07219	3.5
76.60597	1.3
77.03931	1.4
79.05476	67.5
81.07043	31.9
83.08604	6.7
91.05464	24.3
93.07026	100.0
93.18294	1.2
95.04952	6.7
95.08589	21.4
97.06520	2.7
97.10133	4.0
97.28857	1.2
105.07007	12.0
107.08572	48.1
109.06526	1.2
109.10142	14.9
117.06982	3.6
119.08559	9.2
121.09300	2.7
121.10121	37.8
123.11689	2.4
125.09637	1.9
131.08522	4.2
133.10103	12.1
135.11668	55.3
143.08548	2.9
145.10130	3.2
147.11667	8.8
149.09692	1.6
149.13243	21.6
159.11650	2.8
161.13217	3.8
163.11168	1.4
163.14717	6.0
171.11530	1.6
173.13203	1.5
175.14783	2.9
189.12650	2.0
195.13701	2.1
199.14825	1.9
207.13826	2.2
213.16344	2.2
221.15410	3.6
235.16949	3.2
259.20535	3.2
277.21582	90.5
278.21921	2.6
294.74524	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.1066
Annotation	CHEBI:69071
Peak:m/z	Relative Intensity
55.01882	0.9
55.05495	2.4
57.07053	1.7
59.04986	12.7
67.05485	3.5
69.03410	3.3
69.07039	3.2
69.42201	6.5
69.42632	2.7
72.08136	0.9
74.06070	1.0
74.45369	0.9
79.05490	4.3
81.07044	5.3
87.56203	1.0
91.05463	3.8
93.07028	6.3
95.04945	1.1
95.08582	3.0
97.06517	1.3
101.23084	0.8
105.07021	3.8
107.04948	2.0
107.07932	0.8
107.08541	4.5
108.12403	0.9
108.57448	0.9
109.06516	0.8
109.10128	2.2
115.05437	2.2
117.06998	2.3
119.08555	1.9
121.06482	3.0
121.10122	4.1
123.04418	3.1
128.06197	3.4
129.06985	3.1
131.04926	2.7
131.08549	3.9
133.06468	2.0
133.10115	2.3
135.04436	2.0
135.11652	5.0
141.06956	3.8
142.07695	1.6
143.08543	2.6
145.06456	6.2
145.10086	1.0
146.07141	1.5
147.04384	2.5
147.07974	1.6
147.11688	1.3
149.02341	1.4
149.05927	1.5
149.13228	1.2
153.06993	1.1
154.07765	4.0
157.06482	1.7
157.10071	2.4
158.07253	2.6
159.04431	1.2
159.08023	9.7
159.11674	1.5
161.05963	12.3
161.09644	1.7
161.13293	1.3
163.03836	4.4
163.07558	1.2
167.08488	1.9
169.06430	1.5
169.10060	1.5
170.07220	1.5
171.08066	5.1
173.05963	8.6
174.06734	5.9
175.07535	2.1
179.08551	1.4
182.07210	2.1
185.09593	7.0
187.07513	11.8
187.11153	5.6
189.05449	27.2
189.09029	6.8
191.06953	3.3
191.56577	0.9
195.08046	2.5
197.09549	2.0
198.06665	4.8
199.03908	1.3
199.07503	12.7
200.04662	3.8
200.08090	1.1
201.05508	5.7
203.10652	2.4
205.04979	3.1
207.06493	53.6
208.06841	1.7
213.05632	1.3
213.09068	21.7
215.06998	2.6
215.10626	12.2
216.07741	7.6
217.05128	1.0
217.08543	11.6
221.08113	4.8
226.06169	1.6
229.04955	2.3
229.23413	1.0
231.10129	7.9
241.08559	30.2
242.08894	1.5
244.07176	2.1
249.11218	7.8
259.09622	71.4
259.20499	1.6
260.09991	3.3
277.10672	100.0
277.18228	1.8
277.21475	9.4
277.23721	3.0
277.26160	1.8
278.11105	3.1
292.03156	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.1429
Annotation	Pestalotheol D
Peak:m/z	Relative Intensity
55.05484	0.5
59.73945	0.1
67.05468	0.7
69.07041	0.4
70.68296	0.3
70.68701	0.4
71.08607	0.2
79.05489	1.1
81.07053	0.9
91.04215	0.2
91.05453	0.9
93.07024	2.0
95.08570	0.7
99.08083	0.3
105.07006	1.3
107.08553	1.3
109.10122	0.3
115.05453	1.0
117.06998	3.3
119.08602	0.4
121.10127	1.0
135.11674	1.2
139.06941	0.2
145.05374	0.3
145.06462	3.5
147.08015	0.4
149.05969	0.8
149.13266	0.4
161.05956	0.5
163.07477	0.7
173.05951	8.6
175.07532	4.3
177.05464	1.4
179.14267	0.7
191.07004	5.9
192.07306	0.2
203.06999	17.7
204.07300	0.3
221.08054	100.0
222.08351	1.7
277.14313	15.5
277.21454	2.2
278.14655	0.5
291.98624	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.1065
Annotation	CHEBI:69071
Peak:m/z	Relative Intensity
55.01869	1.5
55.05492	2.1
57.07035	1.3
59.04991	13.1
67.05492	4.3
69.03394	3.0
69.07041	2.8
69.70491	4.8
79.05455	3.2
81.07034	4.5
83.04938	0.7
84.27716	0.7
91.05452	3.6
91.35640	0.7
93.07031	5.5
95.08582	3.5
97.06493	1.1
105.06987	3.1
107.04956	1.2
107.08560	3.2
109.10072	1.2
115.05419	0.9
117.06996	2.2
119.08538	2.2
119.45069	0.7
121.06432	2.1
121.10103	2.7
122.07052	1.0
123.04401	3.3
128.06223	1.4
129.06975	2.4
131.04883	1.2
131.08560	2.5
133.06525	1.6
133.10068	2.1
135.04410	1.0
135.11684	2.5
141.06934	3.3
142.07719	0.9
143.08521	2.1
144.05667	1.4
145.06456	5.7
145.10094	1.1
146.07254	1.3
147.04405	1.4
147.08052	0.8
147.11691	1.1
149.05968	1.3
149.13310	1.2
153.06897	0.9
154.07721	2.3
157.06505	1.5
157.10107	1.6
158.07236	1.9
159.08008	7.7
159.11678	0.8
161.05954	9.3
161.09605	1.5
163.03862	2.3
167.08463	0.8
170.07222	1.4
171.08006	4.0
173.05966	9.6
174.06709	3.6
175.07547	1.6
185.09605	4.9
187.07527	7.6
187.11075	3.9
189.05435	20.7
189.09041	7.2
190.05804	0.9
191.06978	3.7
195.08089	1.5
198.06752	3.9
199.07489	13.6
200.04686	2.0
200.08035	1.0
201.05417	4.9
203.07036	2.4
203.10640	1.1
205.04936	3.1
207.06487	38.5
208.06793	0.9
209.07079	0.7
213.05531	1.5
213.09050	14.6
213.10965	1.2
215.07039	2.7
215.10608	8.0
215.22000	1.7
216.07767	11.0
217.05089	1.0
217.08588	13.9
221.08023	7.4
223.07487	0.9
229.05081	1.7
231.06476	1.3
231.10136	7.9
233.07045	0.8
241.08540	20.3
244.07266	1.3
249.11133	4.8
259.09607	59.6
260.10016	2.3
277.10666	100.0
277.21356	9.3
277.23801	1.1
277.25940	1.7
278.10947	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	276.2163
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11938	0.4
55.05489	1.1
57.07051	0.5
59.55304	0.3
67.05473	0.9
69.03423	2.4
69.07053	9.0
69.45063	0.4
70.06580	6.8
70.54305	0.3
70.54663	1.2
73.34779	0.4
79.05445	1.1
81.07007	1.1
84.04458	0.4
86.05567	0.6
86.06044	7.0
87.04451	17.8
88.95325	0.4
95.08572	2.2
97.06509	3.7
98.06033	49.3
128.14328	9.8
135.04414	0.5
139.46704	0.5
161.02257	0.8
163.03883	2.5
173.02252	0.8
191.03322	1.3
192.92276	0.4
196.16925	8.3
214.17973	100.0
215.07053	2.4
215.18333	1.7
240.10992	0.4
258.12085	0.5
258.20599	18.4
259.09634	3.7
259.21002	0.4
276.13211	1.0
276.21649	37.8
277.22012	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.0077
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96291	0.4
56.96556	7.5
57.08833	0.5
69.75051	1.8
69.75489	1.6
70.03730	0.4
71.95239	1.0
81.49493	0.5
98.20731	0.5
98.97569	79.7
100.97210	0.6
101.00865	2.6
103.00656	0.6
116.98602	61.9
118.99022	0.5
119.01907	13.3
120.01985	2.0
121.01643	4.3
131.01869	0.7
134.99638	32.3
137.02940	4.6
138.03017	1.2
139.02670	1.3
140.00179	1.5
142.03452	5.5
143.01823	0.8
143.03564	1.2
144.03224	1.5
153.00703	4.3
157.03481	0.6
158.01215	1.4
160.04500	1.9
161.02914	2.0
162.04289	1.0
163.03831	2.3
171.88785	0.5
173.02890	0.6
175.04431	0.7
177.00923	5.4
178.00981	1.8
179.00659	3.7
185.02846	0.6
187.33659	0.5
203.03806	0.5
219.01979	3.3
220.02097	1.5
221.01801	3.2
229.75192	0.5
230.48666	0.6
231.48672	0.5
232.98453	0.7
234.99742	1.3
238.95583	0.6
240.95280	0.7
240.96022	0.7
240.98596	5.3
241.99319	2.0
242.49234	1.5
245.01639	0.6
250.49461	1.1
250.99219	23.2
251.49269	8.7
251.99144	4.2
256.96625	7.3
257.96719	3.8
258.96457	8.0
258.99692	53.1
259.96365	1.4
259.99811	1.1
260.96420	0.9
261.00153	1.1
261.02969	10.0
262.00214	0.9
262.03110	4.2
262.50006	9.3
263.00021	3.8
263.02859	9.8
263.50134	2.3
264.02887	0.7
272.94244	1.1
274.00732	0.8
274.97592	3.2
275.97775	1.5
276.97449	7.3
277.00757	100.0
277.97992	0.5
278.00897	2.3
279.00931	1.5
281.98270	0.9
282.01318	1.4
282.99966	1.3
284.00223	1.2
284.99799	2.5
290.95172	1.0
294.98389	2.5
295.01862	1.3
295.08698	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
55.05498	20.1
57.07040	12.1
57.09372	4.0
60.18906	3.8
66.92391	4.6
67.05499	26.0
69.03403	10.0
69.07061	19.6
69.66290	17.1
69.66721	13.4
70.06577	25.7
71.04983	32.9
71.06892	4.3
74.26284	3.6
79.05489	20.0
80.38335	3.8
81.07039	25.1
83.04966	11.1
83.08578	9.6
85.06508	18.0
91.05447	25.6
91.17735	4.1
93.07033	52.3
95.04928	14.9
95.08593	32.1
97.06483	11.3
105.07011	54.8
107.04964	5.3
107.08575	44.4
109.06500	33.4
109.10125	18.5
111.08072	31.2
117.06979	15.1
119.08560	65.1
121.06475	5.0
121.09391	5.8
121.10135	43.4
123.08018	7.0
123.11717	14.1
128.06154	8.4
129.06963	12.1
131.08549	58.0
133.10120	49.3
135.08025	52.1
135.11658	7.9
137.09569	15.3
141.07007	6.9
142.07742	10.7
143.08519	31.1
144.09328	8.1
145.10086	41.6
147.08119	4.8
147.11678	22.5
149.09616	9.4
154.89099	4.4
155.08449	6.1
156.09251	8.2
157.10103	38.8
158.10846	18.7
158.90027	4.2
159.08041	12.4
159.11673	73.3
161.05898	4.7
161.09622	7.2
163.11160	5.1
169.10069	17.8
171.11623	20.8
173.09491	4.8
173.13228	100.0
174.13887	15.3
175.11122	13.9
175.14677	9.4
177.12706	18.2
182.10741	5.6
183.11659	20.1
187.07530	9.2
187.11090	7.8
187.14732	18.4
191.14255	16.7
197.13258	13.8
199.14777	34.2
201.12698	19.1
203.07076	5.7
213.16368	16.3
215.06950	8.0
215.14319	7.8
215.17831	9.5
217.15833	7.3
219.13873	5.2
229.12221	11.5
233.08032	9.9
239.10617	5.5
239.17937	15.5
257.11658	40.7
257.18988	49.5
268.37610	4.8
275.04871	11.9
275.12744	68.4
275.20392	65.3
275.27734	36.1
276.13123	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	275.2
Annotation	Apo-13-zeaxanthinone
Peak:m/z	Relative Intensity
52.11159	0.9
53.86316	1.1
55.05511	5.3
57.03421	1.4
57.07064	1.9
67.05492	4.8
69.03416	2.4
69.07056	13.5
70.06570	5.6
71.02303	1.0
71.04979	3.3
71.06906	1.9
71.57597	1.1
79.05062	1.1
79.05492	3.9
81.07049	5.5
83.04989	1.8
83.08621	2.3
85.06546	1.9
91.05447	7.2
93.07030	11.7
95.04971	2.3
95.08594	8.8
97.06525	1.5
105.07012	10.9
107.04940	1.9
107.08572	8.6
109.06532	4.0
109.10160	4.6
111.04466	1.0
111.08057	21.4
111.11675	1.2
113.09638	4.1
117.07005	2.6
119.08556	9.3
121.06508	4.0
121.10117	7.8
122.07271	5.1
123.08044	16.3
123.11702	2.9
128.06216	1.1
129.07027	1.6
131.08539	9.2
133.10106	7.2
135.08025	26.8
135.11662	3.0
135.68956	1.0
137.09636	3.0
143.08578	4.5
144.05753	1.1
144.09435	1.4
145.06520	1.3
145.10083	5.8
147.11641	7.6
149.09607	4.2
149.13268	1.3
156.09349	1.1
157.10101	4.9
159.08072	2.5
159.11647	11.4
161.09644	3.1
161.13214	2.1
163.11180	3.8
165.12779	2.7
168.46907	0.9
169.10162	2.3
171.11649	16.6
173.09613	1.4
173.13211	5.9
175.11264	2.0
175.14827	2.7
176.11952	4.6
177.12791	1.9
181.12204	18.1
183.11671	1.8
184.98671	1.1
187.07597	2.9
189.12726	3.1
189.16360	1.5
191.14272	100.0
192.14682	3.0
197.13258	2.9
199.14769	7.2
201.12772	1.6
203.07039	1.4
205.08681	2.2
211.11212	1.7
213.16435	2.1
215.07002	3.1
215.14503	1.3
215.17934	3.5
217.15887	6.9
227.07079	1.8
229.12231	6.0
231.17470	1.4
233.08003	5.6
233.19006	1.5
239.10550	1.3
239.17986	2.9
257.11722	14.1
257.19016	12.9
257.26804	1.7
275.04922	2.2
275.12775	21.8
275.20108	64.4
275.27713	16.7
275.30484	1.4
276.13297	1.6
276.20416	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	275.2002
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
53.03931	1.6
55.01862	4.7
55.05504	19.8
57.03422	1.9
57.07069	0.9
59.04989	1.1
62.05288	0.6
65.03928	0.7
67.05495	24.4
67.05856	1.3
69.03400	1.4
69.07058	6.2
69.87146	2.1
69.87553	1.6
71.04980	2.7
71.50387	0.6
77.03910	0.6
79.05482	36.5
80.05843	0.7
81.07041	17.9
83.04958	1.9
83.08602	5.0
85.02396	0.6
85.06509	1.0
91.05465	25.6
93.07027	18.9
94.07389	0.7
95.04944	2.5
95.08589	8.1
97.06501	2.4
97.10140	4.1
103.05413	0.8
105.07016	32.2
107.04939	23.4
107.08578	27.2
109.06498	1.8
109.09442	1.0
109.10140	12.8
111.08060	1.9
115.05433	0.9
117.06993	9.1
119.08562	24.8
120.08854	0.7
121.06479	2.0
121.10124	8.9
123.08050	1.5
123.11697	2.9
125.09618	5.4
129.06981	1.8
131.08542	11.6
133.06488	0.7
133.10112	23.3
135.08035	3.9
135.11694	2.7
137.09602	0.8
141.07053	0.9
143.08528	1.8
145.10098	11.2
147.11664	14.1
149.09595	47.5
150.09953	1.0
151.11191	0.8
153.09047	2.4
155.08521	1.0
157.10150	3.1
159.11659	8.0
161.09543	0.7
161.13235	5.2
163.11157	1.1
167.10651	1.1
169.10071	1.2
169.12218	3.2
171.11644	2.5
173.11710	3.8
173.13268	3.8
175.14784	0.8
177.12749	0.9
183.11682	1.3
185.13338	0.7
187.11147	1.5
187.13232	1.7
187.14784	1.3
191.71875	0.6
193.12279	0.9
197.13216	2.0
201.12769	0.9
213.16406	1.1
215.17908	2.0
229.19479	8.4
233.08061	0.7
233.15399	1.1
239.17972	3.3
247.20549	2.3
257.11728	1.3
257.18948	16.6
275.20016	100.0
276.20349	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	275.2002
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
53.03928	1.1
55.01859	1.5
55.05502	11.8
57.03428	0.9
57.07060	1.5
65.03921	0.9
67.05172	0.9
67.05497	13.8
68.21178	0.8
69.03417	3.6
69.06772	0.7
69.07068	7.4
69.86518	1.1
69.86929	3.7
70.06565	2.4
71.04977	2.0
71.06910	1.0
75.06847	0.8
75.55639	0.7
79.05055	1.0
79.05479	12.8
81.07052	13.9
83.08614	4.2
88.07613	2.5
91.05471	34.5
93.07032	13.5
94.82478	0.8
95.04952	2.2
95.08597	9.2
97.06506	2.2
97.10149	1.8
98.21480	1.3
102.09150	1.1
103.05464	0.9
105.07016	52.0
106.08685	1.5
107.04925	1.8
107.08582	10.6
109.06496	1.5
109.10149	4.4
115.05426	1.3
117.07008	7.9
119.08562	29.3
121.06479	2.0
121.10090	5.1
123.08060	1.3
123.11713	1.5
125.09608	1.0
129.06979	2.9
131.08548	13.7
133.10114	34.7
135.07999	1.9
135.11652	3.1
137.09593	1.3
141.06967	1.5
143.08563	3.2
145.06454	1.2
145.10103	14.3
147.08011	0.9
147.11664	22.9
148.12000	1.1
149.09619	4.1
151.11111	1.0
155.08565	2.0
157.10091	2.3
159.08022	3.6
159.11670	7.8
161.05948	1.3
161.09558	2.3
161.13237	4.5
163.11122	2.1
169.10092	1.4
171.11703	3.4
173.09593	2.3
173.13248	3.0
175.07516	2.0
175.11147	1.7
175.14821	1.0
179.08597	1.6
183.11610	2.2
187.07529	4.3
197.09613	1.5
197.13266	2.7
199.07489	1.4
201.12712	1.4
203.06975	2.8
203.10616	1.9
205.08591	3.3
211.11145	2.4
211.14987	1.0
213.09117	1.6
213.24089	2.0
214.09995	1.6
215.07069	7.3
217.02614	1.3
221.08034	1.8
227.06989	1.2
229.12254	8.5
229.19490	1.8
231.10147	1.9
231.13745	1.5
233.08067	9.4
239.10632	3.4
239.17897	4.1
242.09293	2.4
257.11691	19.1
257.19052	9.7
257.26678	2.7
258.11978	1.8
275.04663	1.0
275.12772	36.8
275.20035	100.0
275.27722	29.8
276.13126	2.5
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	275.2
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
53.03917	0.6
54.08852	0.5
55.01843	1.6
55.05497	8.3
57.03419	3.8
57.07045	2.1
65.03921	1.1
67.05161	0.7
67.05491	10.5
69.07056	5.9
70.06558	2.1
70.66379	1.6
70.66759	0.5
71.04958	1.5
73.06543	0.6
79.05052	0.8
79.05476	10.7
81.07043	10.5
82.07358	0.5
83.04939	1.1
83.08605	4.4
85.06509	1.5
88.07603	2.2
89.07903	0.5
89.57975	0.5
91.05462	24.5
93.07019	9.6
95.04932	1.5
95.08586	8.0
97.06503	1.5
97.10139	0.9
102.09125	0.8
103.05432	1.1
105.07008	36.6
106.08632	1.4
107.04948	1.0
107.08553	8.0
109.06483	2.1
109.10139	3.3
111.08060	1.0
113.06062	0.6
115.05403	1.2
117.06989	7.2
119.08554	22.0
120.53992	0.5
121.06461	1.4
121.10136	3.2
123.08028	0.8
129.06979	2.2
131.08527	10.0
133.10107	21.2
135.07985	2.0
135.11656	2.2
137.09546	0.8
143.08542	2.4
145.10081	11.4
147.07988	0.7
147.11655	17.7
149.09592	3.6
149.13309	0.5
155.08496	0.9
157.10101	2.2
159.11662	9.4
161.09538	0.9
161.13229	5.4
163.11130	1.9
169.10091	1.8
171.11642	1.7
173.13242	3.4
175.11201	0.8
175.14798	1.0
177.12750	1.1
183.11676	1.6
185.13184	3.3
187.11163	0.9
189.12624	0.7
197.13223	1.6
199.14784	0.9
201.12727	0.8
201.16364	1.7
203.14226	2.1
205.84879	0.5
215.17915	0.8
218.30246	0.6
219.17325	1.0
229.19539	1.5
233.15440	0.8
239.17931	4.2
247.20497	0.9
257.18988	8.9
257.26617	1.7
275.20001	100.0
275.27704	30.1
276.20441	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	275.2
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
51.02375	0.5
51.34739	0.3
53.03930	1.1
55.01869	2.5
55.05505	10.5
56.83131	0.3
57.03416	1.1
57.07045	0.7
58.58395	0.4
59.04951	0.4
65.03925	0.8
66.72060	0.4
67.05497	16.0
69.03410	1.3
69.07056	7.8
70.13121	0.8
70.13513	0.9
71.04967	1.7
77.03907	0.6
79.05482	16.2
81.03412	0.4
81.07047	18.4
83.04958	1.6
83.08598	4.1
85.06524	1.2
88.15759	0.3
91.05469	28.0
93.07032	15.5
95.04947	3.6
95.08595	11.8
96.11544	0.3
97.06521	3.6
97.10174	1.8
103.04821	0.4
103.05441	0.9
105.07016	39.7
107.04944	2.7
107.08581	12.4
108.32225	0.4
109.06506	4.3
109.10144	5.8
111.08072	1.7
115.05437	0.6
116.06146	0.4
117.06197	0.7
117.07002	8.6
119.08565	26.4
121.06494	2.4
121.10120	7.0
123.08073	1.9
123.11690	1.1
125.09579	1.7
128.06194	0.7
129.07004	2.2
131.08545	11.1
133.06441	1.3
133.10114	30.1
134.10420	0.6
135.08035	4.0
135.11662	3.7
137.09610	2.7
141.06937	0.8
142.07764	0.6
143.08501	1.9
145.06512	0.4
145.10107	10.9
145.11246	0.6
146.10820	0.7
147.08003	1.1
147.11668	15.4
149.09602	4.9
149.13203	1.3
151.11150	2.9
155.08551	1.6
157.10117	2.8
159.08034	0.8
159.11670	7.0
161.09561	1.3
161.13232	4.1
163.11165	5.0
165.09099	0.4
165.12711	1.8
169.10110	1.7
171.11653	2.8
173.09531	0.4
173.13274	4.3
175.11179	1.6
175.14792	1.3
177.12703	1.8
179.10681	0.7
179.14351	1.1
181.12222	0.5
183.11734	1.8
185.13240	0.6
187.07506	0.7
187.11116	1.2
187.14850	0.9
189.01863	0.5
189.12701	0.7
191.14270	1.0
193.12189	0.7
197.13242	2.6
199.14790	0.4
201.12704	1.0
201.16415	0.5
205.12280	0.5
211.14824	0.9
213.16423	0.5
214.18002	0.5
215.06961	0.7
215.14203	0.7
215.17902	0.9
219.13884	0.6
229.12096	0.5
229.15839	0.5
229.19466	3.2
233.07881	0.5
233.15224	0.9
233.18929	1.0
239.17918	6.1
247.20564	2.2
257.11786	0.5
257.18964	10.0
275.20023	100.0
276.20367	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	275.1271
Annotation	6-Methoxyhemigossypol
Peak:m/z	Relative Intensity
55.01855	0.8
55.05493	1.1
57.03408	0.7
57.07047	0.8
63.22155	0.3
67.05478	1.5
69.03063	0.6
69.03413	7.5
69.07043	1.6
69.97213	1.4
70.06567	1.4
71.04977	0.7
71.06893	0.5
71.07352	0.3
79.05474	2.0
81.07026	2.7
83.08601	0.6
85.06499	0.5
89.17874	0.4
91.05464	5.2
93.07014	2.0
95.04935	0.6
95.08583	1.4
97.06490	0.5
103.05443	0.6
105.07008	6.1
107.08581	1.4
109.06493	0.5
109.10135	0.8
110.42576	0.4
115.05452	1.0
116.06208	0.6
117.07007	2.8
118.06568	0.4
119.04855	0.5
119.08564	3.3
121.06448	0.9
121.10146	0.5
127.43167	0.4
128.06239	2.1
129.06970	4.2
131.04929	0.9
131.08531	3.0
133.06473	0.5
133.09261	0.5
133.10074	2.7
135.08035	1.2
135.11627	0.6
141.06934	1.3
143.08536	1.2
144.05695	0.8
145.06471	3.5
145.10091	1.5
146.07225	0.8
147.04369	0.6
147.07973	2.2
147.11673	2.1
148.05177	0.6
149.09572	0.9
153.06958	0.5
154.07761	1.1
155.08493	0.9
157.06438	0.7
157.10045	0.4
158.07253	1.0
159.08029	8.9
159.11665	0.7
160.08521	0.5
161.05954	3.8
161.09593	2.8
161.13188	1.0
162.06697	0.6
163.07495	1.7
163.11195	0.4
165.06841	0.4
169.10109	1.4
171.08015	0.7
172.05180	0.6
172.08763	0.7
173.05931	3.6
173.09581	1.7
173.13295	0.6
174.06711	0.7
175.07529	5.7
175.11122	1.1
177.09094	1.3
179.08522	1.7
180.09213	0.4
180.11920	0.4
181.06396	1.0
181.09969	0.4
183.07994	1.0
184.05121	0.5
185.06094	0.4
185.09584	1.0
186.10378	0.6
187.07498	11.2
187.11150	0.6
188.08278	2.8
189.05492	0.4
189.09019	2.0
191.07004	1.3
196.08759	1.6
197.09573	2.0
198.06705	1.1
198.10254	0.5
199.07477	1.8
200.08258	1.2
201.05389	0.6
201.09035	1.1
201.12738	1.0
203.06987	7.8
203.10625	7.5
203.14282	0.6
205.04907	0.5
205.08568	8.7
211.07430	0.5
211.11133	2.5
213.09047	3.2
214.09789	1.7
215.06998	15.8
215.10358	2.3
216.07755	1.2
216.11415	0.5
217.08551	2.6
218.05750	0.6
219.06384	0.4
221.08015	4.1
224.08289	1.4
225.09082	1.8
226.09853	1.4
227.06989	2.8
229.12201	20.0
230.12509	0.9
231.10155	6.7
231.13713	2.8
232.20575	1.0
233.08046	22.3
234.08414	0.7
239.10605	4.6
239.17885	0.5
242.09335	3.6
247.13217	2.7
257.11679	46.3
257.18924	1.0
258.11938	1.2
275.12720	100.0
275.20309	9.3
275.27722	0.9
276.13083	2.9
276.23175	6.0
293.13736	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	275.1097
Annotation	Unknow
Peak:m/z	Relative Intensity
55.18057	0.4
55.93520	0.6
56.96542	1.6
60.04505	2.0
61.18476	0.5
67.05512	0.6
69.03416	0.9
69.80376	0.6
69.80786	2.4
70.06589	2.3
72.08135	1.9
72.93777	0.5
74.06075	0.5
81.03380	0.4
84.04498	1.1
84.08131	5.0
85.02885	1.4
86.09684	4.2
87.10019	1.4
91.05488	0.5
92.12931	0.5
93.07028	0.5
95.06054	0.6
97.02864	1.2
98.97578	1.3
105.07052	0.5
107.04958	0.7
109.10152	0.7
112.07575	0.4
112.99956	0.6
113.07121	0.5
116.98598	0.8
119.01889	2.0
127.03870	1.2
129.10208	1.7
130.04962	0.6
130.06477	0.6
130.08679	0.7
132.84810	0.5
132.95775	0.7
134.99593	0.7
137.02943	1.0
145.03459	0.6
147.11389	0.6
150.96870	0.7
157.13376	0.9
158.13637	1.5
158.15385	0.8
158.18156	0.5
159.09117	0.6
162.96931	0.7
163.03894	0.6
167.07037	0.4
174.96944	0.7
177.00719	0.6
186.13148	0.7
186.96870	0.8
187.04465	0.5
190.96242	0.6
191.78891	0.5
221.21501	0.5
241.90187	0.4
257.02661	6.4
274.27365	0.4
275.03726	5.7
275.10974	100.0
275.27826	1.2
276.11465	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.1274
Annotation	6-Methoxyhemigossypol
Peak:m/z	Relative Intensity
55.01849	1.6
55.05294	0.4
55.05505	4.7
56.96555	0.8
57.03423	1.1
57.07059	0.9
65.03921	1.2
67.05492	6.0
69.03119	0.5
69.03422	5.8
69.07058	7.2
70.06583	2.1
70.95473	0.5
70.95824	1.1
71.04984	0.9
71.08605	0.4
79.05484	5.7
81.07048	5.9
83.04954	0.6
83.08585	1.5
83.38992	0.4
85.06503	0.5
89.03895	0.7
91.05466	10.5
93.03392	0.5
93.07033	4.6
95.04957	1.4
95.08593	3.5
97.06512	9.6
97.10177	0.6
103.05451	0.7
105.03371	1.7
105.07013	13.2
107.04938	2.4
107.08542	3.2
109.06481	0.7
109.10149	1.2
114.29201	0.4
115.05470	0.6
117.06988	3.4
119.04905	0.8
119.08564	8.7
121.02831	2.5
121.06503	1.4
121.10115	1.8
123.04407	0.9
123.11675	0.6
125.09581	0.5
128.06203	1.4
129.06969	2.8
131.04930	0.6
131.08559	5.0
132.09328	0.4
133.02859	3.6
133.06548	0.5
133.10110	8.2
135.04384	0.9
135.08020	1.3
135.11673	1.0
136.14624	0.4
137.09583	0.6
141.06964	1.3
143.08528	1.7
144.05598	0.5
145.06473	1.9
145.10115	3.5
147.04379	1.1
147.08037	1.5
147.11659	6.8
149.02303	2.4
149.09624	1.2
154.07820	1.1
155.08495	1.5
157.06465	1.0
157.10088	1.0
159.08023	6.8
159.11655	2.5
161.02344	1.7
161.05989	1.7
161.09612	1.3
161.13222	1.6
163.03931	0.6
163.07474	0.6
163.11151	0.8
165.06940	0.9
165.09062	0.5
166.07742	0.7
167.08530	0.5
168.09315	0.5
169.10091	1.7
171.08025	0.8
172.05376	0.7
172.08844	1.3
173.05959	2.9
173.09578	2.4
173.13255	1.3
175.03874	4.2
175.07497	1.7
177.01782	6.5
177.09105	1.3
178.02443	0.4
178.07838	0.7
179.03369	16.1
179.08585	3.2
180.03758	0.5
180.09319	0.9
181.06409	0.5
181.10097	1.5
182.07216	1.0
183.08006	1.5
183.11720	0.7
185.09613	0.6
186.10394	0.9
187.07518	3.7
187.11166	1.1
188.08311	0.9
189.01797	53.5
189.09158	0.7
190.02187	1.7
194.02118	0.6
196.08800	1.9
197.09621	3.5
197.13321	0.8
198.10345	1.0
199.07487	2.6
199.11227	0.7
200.08287	0.8
201.05481	1.9
201.09122	1.2
201.12726	1.9
203.03438	1.0
203.06992	4.1
203.10594	1.0
205.04918	0.9
205.08560	2.3
207.06456	0.6
207.08138	0.9
208.08827	0.7
209.09679	0.6
211.00415	0.5
211.07544	1.2
211.11156	7.6
212.11398	0.4
213.09035	1.2
214.09908	2.6
215.06979	3.9
215.10547	0.9
215.14325	0.5
221.08113	1.6
224.08301	2.1
225.09013	3.5
226.09744	3.3
227.06984	6.2
229.08691	0.7
229.12202	17.9
229.19626	0.9
230.12466	0.6
231.06483	35.3
232.06831	1.5
233.08055	3.5
239.10641	10.5
239.17842	0.8
241.08542	0.8
242.09354	8.1
243.10004	1.1
247.13144	0.8
247.20645	0.6
257.11691	54.0
257.18921	2.8
258.12079	1.8
275.09183	39.7
275.12769	100.0
275.20056	29.6
275.27835	1.8
276.09497	2.3
276.13126	3.2
276.20355	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.0908
Annotation	3,3',5,5'-Tetrahydroxy-4-methoxystilbene
Peak:m/z	Relative Intensity
52.72158	0.7
53.03938	2.6
55.01873	4.5
55.05498	5.7
56.00361	0.7
57.03434	1.5
57.07056	1.3
59.58535	0.7
65.03927	1.6
67.05495	7.8
69.03427	4.7
69.06709	1.3
69.07054	16.5
69.41521	1.7
69.41929	6.2
70.06570	5.5
71.05011	1.0
71.06912	1.3
79.05471	11.6
80.04998	1.4
80.06242	1.0
81.07039	6.2
83.04978	6.0
83.08602	1.3
84.08133	1.3
89.03919	1.4
91.05467	12.1
93.03367	2.0
93.07024	4.8
95.04940	3.5
95.06086	1.7
95.08595	3.6
97.06516	23.6
98.07283	1.7
102.05522	1.0
103.05492	0.8
105.03365	1.8
105.07014	15.2
107.04909	2.2
107.06061	2.8
107.08570	4.4
109.10117	2.2
117.06992	2.9
119.05049	0.6
119.06028	1.4
119.08569	8.8
120.06633	1.0
121.02842	3.0
121.06473	1.6
121.07624	1.8
121.10140	2.6
122.03650	0.9
123.04403	2.8
129.06976	2.6
131.01360	0.8
131.08571	4.9
133.02835	12.7
133.10112	9.1
135.04393	2.6
135.08054	1.5
135.11642	2.2
141.06973	1.3
143.08470	1.1
145.06532	1.1
145.10080	3.7
147.04376	1.0
147.11674	6.1
149.02316	15.4
149.09598	2.8
150.03094	6.5
151.03867	1.0
155.08508	1.3
157.10046	1.7
158.07188	0.7
159.08009	4.1
159.11679	2.5
161.02321	1.9
161.05930	1.7
161.09570	1.2
161.13220	1.8
163.03821	1.2
163.07471	0.9
163.11156	1.3
169.09988	0.9
171.11630	1.0
173.05913	2.1
173.09523	1.3
173.13216	1.4
175.03845	4.0
175.07510	2.8
175.11018	0.8
177.01804	11.4
178.02585	23.8
179.03366	90.0
185.06123	0.9
187.07504	3.6
187.11226	1.1
189.01802	38.9
191.03381	0.8
197.09587	2.1
197.13200	1.7
199.07449	1.8
199.14804	0.9
201.05421	1.9
201.09016	1.2
201.12714	1.0
203.03545	0.7
203.06981	3.6
203.10678	1.6
205.04965	0.9
205.08594	2.8
211.11111	2.6
213.16284	0.9
214.09871	1.3
215.06995	4.8
221.08003	1.5
225.09053	1.9
227.07018	2.1
229.12125	7.9
231.06499	28.9
231.10017	1.8
231.13815	1.1
233.08012	8.0
239.10634	3.0
239.18007	1.1
242.09335	2.9
257.07996	1.1
257.08566	1.2
257.11700	23.9
257.18954	2.7
275.09085	100.0
275.12686	43.6
275.20221	31.0
275.24606	12.2
275.27548	1.7
276.09378	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.016
Annotation	Unknow
Peak:m/z	Relative Intensity
54.63919	10.8
66.72681	12.4
69.55032	48.5
69.55450	53.8
70.64590	11.4
71.96440	13.9
86.04871	11.2
98.20667	23.2
113.07065	14.4
116.95759	11.2
144.91768	11.0
173.03021	18.2
176.52733	11.5
267.81232	12.7
275.01620	74.2
275.04681	10.2
275.10831	100.0
287.89771	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	275.0159
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47556	14.0
51.84969	13.3
56.96545	52.9
65.46477	13.7
66.87835	16.5
68.16970	15.1
70.73216	32.9
70.98108	24.4
84.08158	23.8
95.69597	14.8
98.97567	18.0
101.00889	19.9
108.13223	15.5
119.01891	69.8
131.01836	18.5
157.91199	15.7
165.00684	18.8
174.99159	32.7
188.78983	13.5
190.98593	59.4
193.00174	45.9
203.03981	27.5
206.15942	18.1
218.98190	16.9
225.65135	15.2
231.03482	17.8
232.99666	27.1
275.01462	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.0908
Annotation	3,3',5,5'-Tetrahydroxy-4-methoxystilbene
Peak:m/z	Relative Intensity
53.03869	0.9
55.01781	2.7
55.05415	4.7
55.05704	1.5
57.03339	1.5
57.07001	0.8
63.70646	0.6
65.03837	1.9
65.04144	0.6
67.05398	5.9
67.05782	1.0
69.03331	1.6
69.06960	8.8
70.06489	3.1
70.97194	1.6
71.04926	1.0
71.06845	1.0
77.03850	1.0
79.05380	9.5
81.06947	7.2
83.04900	1.5
83.08545	1.5
84.08100	0.9
89.03854	0.8
91.05467	10.2
93.03338	1.0
93.07028	5.8
95.04853	2.4
95.08575	4.1
97.06515	17.6
97.10065	1.0
105.03360	3.0
105.07011	13.7
107.04853	2.2
107.06009	1.3
107.08556	3.7
109.06419	1.9
109.10047	2.4
115.05332	0.7
117.07016	3.7
119.04803	0.8
119.08560	8.9
119.50833	0.6
121.02768	2.6
121.06402	1.1
121.10026	2.8
123.04359	1.8
123.11604	0.8
128.06113	1.0
128.85933	0.6
129.06906	2.1
131.04788	0.6
131.08583	3.6
133.01971	0.7
133.02831	9.1
133.09265	0.8
133.10107	10.2
133.69974	0.7
135.04326	1.5
135.07993	1.3
137.09543	0.8
143.08434	0.7
145.06398	1.6
145.10077	4.7
147.04303	0.8
147.07938	1.2
147.11688	5.3
149.02306	7.3
149.09554	2.2
149.13205	0.7
157.10089	1.3
159.08025	3.0
159.11691	3.1
160.38692	0.6
161.02299	3.5
161.05914	1.2
161.09573	1.5
161.13206	1.9
163.03830	1.3
163.11124	1.2
169.10092	1.3
171.11639	1.2
173.05972	2.9
173.13261	1.7
175.03896	6.3
175.07443	1.6
175.11082	1.2
177.01802	12.3
178.02528	1.0
179.03362	33.7
183.11610	0.6
185.13171	0.6
187.07465	2.2
189.01794	100.0
190.02014	0.7
201.05460	3.3
203.03404	1.7
203.06979	2.9
203.10619	1.3
203.14331	0.7
205.05017	2.0
205.08580	2.0
211.11121	1.1
215.06970	3.1
229.12183	3.6
229.19553	1.1
231.06477	65.2
232.06880	0.8
233.08022	5.6
239.10716	1.3
239.18013	2.0
242.09288	0.8
247.13354	0.8
247.20670	0.7
257.08902	0.7
257.11646	9.2
257.19006	3.5
264.40759	0.6
275.04706	2.2
275.09271	79.7
275.12830	17.0
275.20178	30.8
275.24933	2.5
275.27655	0.7
276.09610	1.6
293.10541	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	274.1797
Annotation	Tropanserin
Peak:m/z	Relative Intensity
51.95158	0.3
56.05036	0.6
63.61340	0.3
68.04998	0.5
68.37029	0.3
69.68576	0.8
69.68997	1.4
70.06581	4.5
71.06893	0.3
72.08114	0.4
76.26300	0.3
79.05463	1.0
80.04984	1.8
81.05815	0.3
81.58081	0.3
82.06555	0.8
83.07334	0.3
84.08136	1.8
91.05467	0.7
93.07048	0.8
94.06551	0.7
95.04936	0.3
95.08565	0.3
105.06987	0.5
107.04935	57.9
108.05273	0.5
108.08092	0.9
110.09633	0.5
120.08084	4.1
121.06461	0.8
121.08868	1.0
122.09629	1.6
123.10416	0.3
124.11195	0.9
133.06473	1.5
134.09622	2.1
136.10242	0.5
136.11194	6.8
145.06436	0.8
147.08022	1.1
148.11212	3.5
149.11971	3.6
150.11594	0.7
150.12750	8.8
153.21152	0.3
157.06445	0.3
254.05267	0.3
256.16928	22.5
274.17966	100.0
275.18225	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	274.1796
Annotation	1-(p-Methoxyphenyl)-5-piperidino-1-penten-3-one
Peak:m/z	Relative Intensity
50.82528	0.3
68.05019	0.5
69.47405	2.6
70.06581	90.7
82.28211	0.3
84.08114	3.1
96.08093	0.5
100.07643	0.5
102.18689	0.3
107.04939	11.2
116.31595	0.3
122.09651	0.6
125.08372	0.4
126.09138	3.0
136.11191	2.8
145.06482	1.1
148.11137	0.5
149.11963	0.5
150.12764	1.7
158.07196	0.3
167.12918	0.5
168.13869	0.4
235.76431	0.4
244.16902	1.1
256.16928	7.9
274.17969	100.0
275.18369	2.1
286.54990	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1842
Annotation	Przewalskin
Peak:m/z	Relative Intensity
55.01847	1.9
55.05491	3.2
57.07069	2.3
67.05482	4.7
69.03394	2.3
69.07040	2.9
70.06565	5.3
71.58227	2.6
71.58601	1.3
79.05466	4.8
81.07031	3.3
91.05468	11.8
92.07299	1.1
93.06995	1.5
95.08588	1.6
103.05431	1.5
105.07008	10.7
107.04916	2.0
115.05436	2.3
117.06979	4.4
119.04899	1.5
119.08549	5.3
128.06197	5.0
129.07007	6.8
130.16800	1.2
131.08525	3.9
133.06473	4.5
142.07779	2.3
143.08504	3.6
147.04379	3.4
147.08002	4.6
149.13174	1.4
153.01790	8.1
157.06483	2.8
161.05971	8.6
161.13326	1.9
175.07533	14.1
188.08357	3.0
199.11081	1.6
255.17381	3.0
262.28134	1.2
273.07504	6.2
273.18460	100.0
274.18213	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	273.2573
Annotation	Trixagoene
Peak:m/z	Relative Intensity
55.05500	14.7
57.07070	7.6
67.05501	19.3
69.06710	2.4
69.07062	34.7
69.46489	8.8
69.46915	3.9
70.06554	2.6
71.08628	1.8
79.05479	9.2
81.07050	68.0
83.08615	14.5
91.05483	10.1
93.07034	32.0
95.08599	66.0
97.10163	9.8
105.07024	16.8
107.08585	48.4
109.10148	51.9
111.11697	4.3
119.08582	18.3
121.09301	3.1
121.10136	43.1
123.11695	42.9
133.10124	12.3
135.11681	30.3
136.63669	1.4
137.13226	11.7
147.04385	1.8
147.11674	12.0
149.13245	50.1
151.14824	6.7
153.01796	5.1
154.77341	1.4
161.13242	26.7
163.14792	27.2
165.16379	1.6
175.14809	12.9
177.16383	17.3
189.16362	16.3
191.17928	11.1
203.17946	16.2
217.19516	27.9
231.21077	3.6
258.61298	1.3
273.07434	3.0
273.25742	100.0
274.17978	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	273.1845
Annotation	Octadeca-8,10,12-triynoic acid
Peak:m/z	Relative Intensity
50.04669	0.5
50.55961	0.5
55.05496	2.4
56.96553	2.8
57.07061	1.4
59.04988	0.9
65.03940	0.8
67.01854	2.1
67.05501	3.6
68.99776	1.2
69.03417	1.9
69.07059	5.6
70.06579	2.2
70.57651	1.6
70.88258	0.5
71.04966	1.1
79.05501	3.5
81.07048	6.9
83.04964	1.5
83.08596	1.2
84.08124	0.7
85.06532	1.7
86.09689	0.7
91.04888	0.6
91.05475	11.7
93.07034	7.1
95.04962	3.6
95.08602	6.2
96.71516	0.5
97.02897	1.0
97.06499	1.3
97.10163	0.6
98.97578	0.6
103.05446	0.8
105.07018	12.0
107.04984	3.0
107.08582	7.6
109.06513	9.2
109.10144	3.7
111.08065	1.5
115.05458	0.7
117.03384	1.2
117.06995	3.8
119.04929	16.2
119.08574	11.4
120.05209	0.5
121.06506	1.5
121.10128	8.9
123.04406	4.1
123.08047	1.7
123.11691	1.2
127.03870	0.6
128.06221	1.9
129.01779	0.6
129.06979	3.6
130.07741	1.3
131.08537	7.2
133.06491	5.6
133.10130	5.6
135.08038	3.4
135.11700	1.4
137.09595	1.2
141.06987	1.7
142.07765	3.9
143.08536	8.1
143.16272	0.6
144.09349	1.2
145.02895	2.7
145.06468	0.7
145.10120	8.2
147.04396	46.3
147.08029	1.8
147.11684	4.7
148.04736	1.7
149.09590	3.6
149.13258	1.7
149.64961	0.6
151.03946	1.0
153.01810	100.0
154.02142	3.8
154.07784	0.8
155.08504	5.5
156.09314	6.9
157.10101	11.3
158.10875	0.9
159.08058	2.0
159.11691	3.6
160.03918	1.4
161.09599	2.2
161.13231	1.6
163.14804	1.3
165.06984	1.7
166.07686	1.1
167.08531	2.7
167.10658	1.6
168.09317	1.4
169.10107	8.4
170.10898	2.7
171.02840	3.3
171.08003	0.7
171.11684	12.5
172.12404	1.4
173.09613	6.9
173.13223	3.6
174.10370	1.5
175.11176	4.0
176.03043	1.0
176.53412	0.7
177.05457	5.0
179.03403	0.7
180.09285	1.2
181.10095	4.4
182.10925	4.1
183.11699	4.1
185.09625	1.8
185.13266	3.9
187.11118	1.0
187.14793	1.7
189.05380	0.9
189.12711	7.9
189.16319	0.7
192.09149	0.6
193.10146	1.0
194.10841	1.2
195.11700	3.8
196.12401	2.6
197.13231	17.0
197.36353	0.6
198.13994	1.7
199.11156	7.1
199.14835	1.1
201.12784	0.7
207.11642	2.1
208.12296	0.6
209.13225	1.6
211.11247	0.8
211.14819	7.1
211.53830	0.9
212.15506	4.8
213.12898	2.9
213.16350	11.1
214.13576	0.8
215.14127	3.0
217.12207	1.1
217.19223	0.6
220.54285	1.5
222.14021	2.2
225.12715	2.2
227.14319	4.0
227.17926	0.9
229.15881	3.2
229.20012	0.6
230.16547	1.1
231.17422	2.3
232.03845	0.8
237.16420	3.5
240.15071	2.7
241.04407	0.6
243.13826	0.6
250.04840	3.3
250.55064	1.4
255.06589	0.9
255.17415	29.3
256.17773	0.6
259.05426	1.3
261.55719	2.4
264.02881	0.6
268.26990	0.6
273.07550	94.7
273.18466	55.8
273.22815	0.7
273.25571	4.8
274.07886	5.5
274.18503	1.1
275.27039	0.6
290.00809	1.3
291.01715	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1845
Annotation	Octadeca-8,10,12-triynoic acid
Peak:m/z	Relative Intensity
53.03919	1.1
54.24414	0.9
55.05497	3.3
57.07057	2.8
58.60905	1.0
63.06450	1.0
67.05504	5.6
69.03393	1.9
69.07052	4.5
69.44536	6.0
69.44951	3.3
70.06577	2.1
71.04970	5.7
79.05472	4.7
81.07046	7.8
83.04974	3.0
83.08586	2.7
85.06522	4.8
91.05462	7.5
91.34290	1.1
93.07041	8.0
93.50178	1.1
95.04955	27.4
95.08598	8.9
97.06510	1.9
104.54202	1.1
105.07019	15.2
107.08574	11.1
109.06506	28.1
109.10148	5.9
111.08081	3.8
113.06005	1.9
117.07050	5.8
117.07738	1.2
119.04926	3.6
119.08559	22.4
121.06468	1.5
121.10101	6.0
123.08050	18.5
123.11628	1.5
128.06258	1.3
129.06953	4.0
130.07771	2.7
131.08534	14.6
133.06415	1.1
133.10124	10.4
135.08023	7.8
135.11684	2.6
137.09616	9.9
141.07002	1.8
142.07770	7.3
143.08546	10.2
144.09293	3.6
145.06439	1.7
145.10101	37.3
147.04364	8.0
147.08041	4.6
147.11670	17.1
149.09607	3.8
151.07539	2.9
151.11122	2.8
153.01813	18.2
153.07153	1.3
154.07814	1.4
155.08545	4.2
156.09335	7.3
157.10107	23.4
158.10901	5.0
159.08061	3.9
159.11661	15.8
161.09663	6.3
161.13264	3.3
163.11153	3.1
167.08563	1.9
169.10115	4.8
170.10909	3.1
171.11681	18.5
172.12433	2.4
173.09592	8.2
173.13231	22.7
173.14645	1.8
174.10416	2.5
175.11169	8.5
177.12663	2.7
181.10081	2.4
182.10878	4.5
183.11707	3.3
184.08849	1.2
184.12506	1.7
185.09587	2.0
185.13240	8.6
187.11157	17.3
187.14803	7.2
189.12730	17.8
195.11629	3.4
197.13200	13.6
199.11188	11.1
200.11938	1.6
201.12738	2.4
203.14308	3.4
207.11681	2.0
211.14774	4.3
212.15555	2.3
213.12755	3.2
213.16345	12.6
214.13553	2.1
215.14287	38.5
217.12233	5.3
225.12729	1.8
227.18031	1.7
229.15862	4.1
231.17404	15.4
237.16272	2.8
240.15016	1.5
252.48151	1.3
255.17404	30.7
273.07550	17.1
273.18463	100.0
274.18497	1.4
294.79315	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0814
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	3.6
55.01854	7.2
55.05494	3.9
56.05021	4.8
56.96555	25.9
57.03429	16.9
60.04500	5.1
61.02491	2.1
61.02604	2.2
61.02907	17.6
67.05494	4.2
69.03419	43.4
69.07067	2.8
70.06586	26.5
71.01337	2.6
71.04968	5.9
71.61303	4.5
72.08153	11.1
72.93757	3.3
73.02901	28.1
74.06074	3.1
75.65913	2.3
81.03399	12.4
81.07037	3.8
82.06570	2.5
83.04961	2.3
84.04489	15.0
84.08131	36.4
84.96033	3.1
85.02892	100.0
86.03214	3.4
86.09695	15.2
87.04443	7.3
88.03971	4.7
88.49301	2.2
91.03922	5.1
91.05455	7.7
95.04957	2.9
96.08116	4.7
97.02889	37.7
98.97562	13.4
99.04440	9.6
101.00860	4.3
101.02341	3.8
103.03852	2.6
107.04974	13.9
109.02841	5.9
110.07146	7.2
110.97553	2.5
111.07468	3.6
112.07535	12.3
114.02327	2.7
115.03954	2.4
116.98583	13.2
117.03972	2.7
119.01882	22.0
119.04926	14.6
120.01983	2.2
123.04428	3.6
127.03901	35.0
128.02275	3.0
128.98598	3.4
129.10219	13.2
130.05022	2.9
130.08641	13.8
131.00128	7.9
131.01875	8.9
134.99634	7.0
137.02994	3.7
137.05940	5.5
138.03439	5.8
139.98470	2.6
140.02252	2.6
143.00128	4.3
143.01868	35.1
144.01949	2.9
144.03416	2.9
145.03400	7.0
145.04944	18.7
146.02312	4.8
146.99590	8.0
147.04379	35.9
148.04739	2.7
149.01195	8.0
153.00562	3.9
153.01807	65.3
153.02974	5.0
153.03828	2.8
155.01909	19.9
156.07693	4.0
157.03470	6.6
158.99620	4.8
161.01276	5.6
161.02931	48.6
162.01735	2.5
162.03119	5.8
162.04469	4.9
165.00627	3.5
170.99689	4.6
171.02879	4.8
171.05035	7.3
172.95221	11.6
173.01477	1.9
173.02924	46.9
174.03156	3.4
174.04446	16.3
174.05902	3.2
174.54890	2.8
175.04623	3.2
175.11911	3.7
177.00708	3.3
183.03262	3.1
183.04971	33.0
183.55092	8.5
185.02921	16.1
186.04347	5.4
187.04504	5.7
189.00764	5.2
189.06046	7.5
190.03625	2.7
190.96284	6.5
190.98671	4.1
191.03874	17.0
191.54060	4.1
192.03860	3.9
192.05518	29.1
192.55742	3.1
193.04019	2.5
194.55901	3.5
197.02948	3.9
200.04369	2.7
200.54636	4.2
201.06117	3.4
203.03979	28.5
204.13736	4.2
205.05757	3.3
213.05992	3.8
213.07834	4.0
215.03900	3.2
219.01820	8.0
221.05006	11.3
227.00789	7.9
227.15775	4.3
227.56895	4.2
231.07048	5.6
233.05003	8.6
237.02789	4.8
239.02309	4.2
239.06158	3.1
245.01942	8.3
245.05113	11.4
257.03024	3.2
263.03714	2.8
263.06149	38.1
264.06131	6.5
272.60315	3.0
273.00598	5.2
273.07431	68.1
273.16360	12.4
273.19614	3.8
275.06027	6.7
291.01459	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	273.0754
Annotation	(plusmn)-Naringenin
Peak:m/z	Relative Intensity
55.01862	0.3
55.05515	0.1
65.03934	0.2
67.01857	4.6
67.05492	0.4
68.99773	2.4
69.03414	1.5
69.07067	0.2
69.79845	0.9
70.06577	0.3
79.01873	0.2
79.05478	0.3
81.03401	0.3
81.07043	0.2
83.01345	0.5
84.08134	0.3
89.66491	0.1
90.59072	0.1
91.05471	4.9
93.06995	0.2
95.04960	1.6
95.08599	0.4
97.02870	1.0
97.06542	0.2
105.07001	0.3
107.04940	2.5
107.05607	0.2
111.00779	0.6
111.04474	0.2
119.04931	13.8
119.08536	0.2
120.05251	0.2
121.02850	0.3
121.06497	1.2
121.10169	0.2
123.04412	3.0
125.02332	0.5
125.09601	0.4
127.03885	0.3
129.01791	0.4
129.06952	0.2
131.08554	0.3
141.06984	0.2
145.06429	0.2
145.10130	0.2
147.04388	37.1
148.04768	0.7
149.05957	0.3
151.03886	0.6
153.01807	100.0
154.02145	1.5
157.06572	0.2
161.05948	0.2
171.02866	15.6
172.03229	0.4
179.03368	1.3
181.06516	0.3
189.05429	0.8
204.83569	0.2
213.05530	0.2
213.09105	0.3
213.16379	0.2
231.06485	1.9
241.08640	0.3
255.06534	0.5
273.07529	75.3
274.07944	2.4
274.17825	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	272.2579
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	8.6
56.02354	0.5
56.05029	6.4
57.07053	2.5
58.06389	0.5
58.06591	5.0
60.04503	0.8
61.48649	0.6
67.05489	1.5
67.43117	0.6
69.06705	0.9
69.07058	9.4
70.06571	1.9
70.88090	1.6
70.88463	0.6
71.08609	1.5
72.04510	4.3
74.02411	2.3
74.05691	0.9
74.06072	8.6
81.07039	1.1
83.08611	5.8
84.08138	3.9
85.10143	0.5
86.09702	1.2
88.03974	1.3
88.07588	0.6
95.08584	0.8
97.10164	2.6
98.09704	2.6
112.11205	0.7
116.07056	2.2
184.20584	0.8
210.22134	25.2
210.24178	1.2
226.21701	1.3
226.25287	6.7
228.23189	100.0
229.23534	2.3
254.24751	51.1
255.25041	0.9
272.22208	5.1
272.25775	10.4
273.18387	0.9
276.95099	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	272.2216
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03913	0.4
53.61118	0.4
55.05502	4.2
55.30857	0.4
56.05036	0.5
56.96536	0.6
57.07062	1.2
60.04489	0.4
67.05496	2.5
69.03410	2.7
69.07051	7.6
69.07403	0.7
70.06577	9.3
70.07380	0.6
71.04963	0.7
71.57605	0.7
72.10973	0.3
81.03412	1.3
81.07035	2.5
83.08602	4.1
84.04492	0.7
84.08125	1.2
85.02902	0.5
86.06057	5.7
87.04453	17.7
91.05458	0.6
92.50826	0.4
93.07008	1.1
93.99501	0.4
95.04940	0.6
95.08591	1.8
95.79421	0.5
96.08076	0.4
97.10144	0.4
98.06036	53.8
100.28440	0.4
107.04943	0.7
107.08584	0.5
109.02867	0.5
109.10152	0.8
110.09673	0.5
112.07603	1.0
116.98560	0.5
119.04922	0.4
119.08564	0.7
129.10229	0.5
131.08513	0.5
133.10085	0.4
135.11652	0.4
142.15889	10.1
147.04349	1.0
149.13225	0.4
153.01846	2.5
159.11685	0.5
161.01045	0.4
161.33818	0.4
195.26115	0.4
210.18500	7.7
228.19547	100.0
229.19904	1.7
236.20093	0.7
254.21124	1.1
260.07904	0.4
272.16385	1.7
272.22165	30.1
273.07550	1.8
273.18552	0.8
273.22476	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	272.2215
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	7.0
56.05027	3.9
57.07066	1.2
58.06589	7.5
67.05499	1.6
69.07058	6.5
69.82775	3.2
70.06591	3.9
70.75639	0.5
72.08116	0.5
79.05472	0.8
81.06611	0.5
81.07001	2.6
83.08135	0.7
83.08607	9.7
84.04510	0.9
84.08128	1.8
85.06483	0.7
87.04453	0.6
88.04006	0.7
91.05497	0.9
93.07024	1.0
94.94337	0.6
95.08589	2.1
97.10175	3.6
98.06048	0.8
98.09689	3.7
98.21441	0.6
102.05505	0.9
105.07000	1.2
107.04939	0.9
107.08501	0.7
109.06500	0.6
109.10172	0.5
112.11234	3.3
119.04896	1.2
121.10143	0.6
147.04391	3.1
153.01799	5.7
156.17470	0.6
161.86053	0.6
166.15932	1.1
168.03680	0.9
168.17433	1.9
182.19017	38.3
183.19420	1.1
195.75014	0.6
207.13750	0.5
210.18517	1.0
212.16473	0.9
214.06317	0.6
220.36728	0.6
226.17929	1.3
228.19557	100.0
229.08554	2.9
229.19910	2.4
254.17473	1.0
254.19821	1.5
255.10176	1.0
258.04791	0.6
272.06506	0.8
272.10043	0.8
272.13681	0.5
272.15973	0.9
272.18738	3.0
272.21036	1.0
272.25348	0.9
273.07550	5.0
273.11194	6.3
273.18552	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	272.1642
Annotation	Cocculine
Peak:m/z	Relative Intensity
56.05018	0.4
59.74568	0.3
60.16792	0.3
62.46351	0.3
65.87048	0.3
67.05530	0.3
68.05024	1.0
69.55177	2.1
70.06583	100.0
71.05001	0.4
71.06905	0.7
72.08144	1.0
72.92003	0.3
79.05492	0.6
80.36507	0.3
81.07041	0.7
82.06577	1.9
84.08148	1.7
85.98372	0.3
86.09679	0.8
91.05447	0.3
93.07042	0.3
95.04932	0.5
96.08233	0.3
98.20727	0.4
104.06261	0.3
105.07037	0.3
107.04944	15.9
107.08630	0.3
108.08096	0.7
109.08957	0.3
111.59776	0.3
116.07061	0.5
120.08096	0.6
122.09653	0.4
129.10258	0.6
133.06476	0.8
134.09595	1.5
137.11987	0.4
138.99954	0.3
146.09549	0.3
147.10381	0.5
148.11171	1.0
148.17191	0.3
150.12762	1.8
153.01817	0.6
153.06969	0.4
157.06456	0.3
166.12193	0.3
171.08061	0.8
186.45375	0.3
194.59909	0.4
254.15405	3.1
268.91476	0.3
270.72888	0.4
271.86960	0.3
272.16409	86.0
273.07425	0.7
273.16708	1.7
274.56555	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.2262
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24587	2.1
53.03935	2.5
55.05505	72.2
55.83223	1.9
57.03435	4.0
57.07072	16.1
65.90792	1.8
67.05497	53.1
69.03410	2.9
69.07060	100.0
69.50395	4.0
69.50801	15.8
70.06577	7.3
71.04983	8.8
71.08620	8.3
72.08139	5.5
79.05478	23.4
79.06921	1.8
81.03418	2.6
81.07049	81.2
82.07391	2.2
83.04974	6.1
83.08611	66.0
84.08145	4.3
85.06531	9.5
85.10169	3.4
86.09698	4.6
91.05473	16.2
93.07041	29.7
95.04961	4.1
95.08595	75.9
97.06526	11.2
97.10160	64.9
97.10764	4.2
99.04462	2.2
99.08092	8.5
100.72380	2.1
105.07022	22.8
107.08581	33.3
109.02866	4.4
109.06496	2.7
109.10143	37.2
110.07151	3.9
111.08076	8.1
111.11717	21.4
113.09648	2.0
115.07526	2.5
119.08565	23.4
121.10136	36.8
123.04433	6.3
123.08047	4.3
123.11666	15.6
125.09624	4.5
125.13249	6.6
127.03929	3.2
129.09131	2.5
131.08585	4.5
133.10121	32.1
135.11670	25.8
137.09604	7.9
137.13255	10.9
139.11171	8.8
143.10735	2.4
145.10143	5.7
147.11682	22.1
149.13225	15.5
151.11153	11.0
151.14809	6.6
153.12733	8.5
155.10643	3.2
157.12273	3.3
159.08035	4.9
159.11746	3.7
161.13249	22.0
163.14764	2.6
165.12704	12.1
175.14787	7.8
177.16325	2.6
179.14354	8.9
187.14783	2.5
189.16336	2.9
193.15755	3.6
193.19547	6.4
212.16364	2.7
215.17883	3.2
217.19516	44.5
228.19606	5.6
235.20544	43.0
250.59006	3.4
253.14169	5.6
253.21609	19.0
261.10803	2.3
271.05957	19.7
271.10025	3.5
271.16998	4.4
271.20111	5.0
271.24445	17.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.2263
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.7
55.05503	52.7
56.96545	2.8
57.03417	4.7
57.07059	18.0
67.05490	49.8
69.03430	5.8
69.07056	100.0
70.06596	11.6
70.38877	4.4
70.39285	8.0
71.04989	7.3
71.08626	3.2
72.08141	4.0
78.08925	2.8
79.05491	21.1
81.03424	5.1
81.07045	72.9
83.04981	4.3
83.08602	59.5
84.04469	3.0
85.02888	5.2
85.06523	7.3
85.10175	4.8
87.04462	5.4
88.44890	2.4
91.05473	18.7
93.07024	33.0
95.04973	3.3
95.08590	69.0
97.06502	12.1
97.10154	61.5
98.06040	20.6
99.04420	3.1
99.08082	8.4
105.07012	23.4
107.08578	26.9
109.02866	5.7
109.06524	4.0
109.10131	35.6
109.70403	2.1
110.07158	3.5
111.08064	5.6
111.11702	24.0
117.07005	4.2
119.08549	22.6
121.06510	4.9
121.10121	35.2
123.08073	3.1
123.11698	16.7
125.09617	5.0
125.13269	8.6
127.03876	4.5
128.06204	2.6
130.05023	3.1
131.08562	9.5
133.10109	26.7
135.11655	31.9
137.09595	7.0
137.13231	10.0
139.11186	10.8
142.15895	4.2
143.08551	4.9
145.10107	8.1
147.08087	2.6
147.11642	22.1
149.13242	10.6
151.11157	11.7
151.14816	6.6
153.12741	8.2
155.08539	5.8
157.10056	3.6
159.08052	6.9
159.11691	7.1
161.13184	16.7
163.14813	4.6
165.12762	9.4
169.10143	5.4
169.12234	2.6
171.11685	2.8
171.13719	3.7
173.13228	6.5
175.14827	9.1
179.14256	7.1
183.08223	2.6
185.13229	3.2
193.19447	4.5
197.13293	4.4
201.16527	4.0
210.18501	3.4
211.14874	3.2
211.94682	2.4
213.16570	3.0
215.18007	3.3
217.12184	4.6
217.19475	42.2
218.37654	2.5
225.16347	5.0
228.19554	29.0
235.20503	38.4
239.07155	3.2
240.08093	2.4
253.19188	13.7
253.21742	20.2
271.09546	12.4
271.17072	6.6
271.20493	14.2
271.24417	16.2
272.18802	4.9
272.22214	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	271.2261
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52228	2.2
51.94884	2.6
55.05502	52.6
56.96549	4.4
57.07064	12.0
61.62608	2.3
64.83625	2.3
64.95643	2.7
66.40015	2.7
66.82101	2.3
67.05497	43.3
67.35313	2.5
68.22342	2.6
69.03416	4.9
69.07058	85.1
70.06583	3.8
70.88690	5.7
71.04967	4.8
71.08615	5.4
79.05476	19.0
81.07043	72.7
83.04990	3.5
83.08608	65.9
85.06542	7.2
91.05466	18.1
93.07038	27.9
95.08597	67.3
97.06519	11.4
97.10159	62.4
99.08076	4.5
105.07034	15.2
107.08599	18.1
109.10143	31.0
111.08065	7.4
111.11703	27.0
112.07597	21.3
113.09595	3.5
118.54863	2.8
119.08575	15.3
121.10119	31.2
123.08036	4.1
123.11708	13.6
125.09595	5.2
125.13247	7.1
131.04892	4.1
133.10115	18.2
135.11662	23.2
137.09538	4.8
137.13217	7.4
139.11163	6.2
147.11665	16.6
149.13242	8.6
151.11174	7.6
151.14772	6.4
153.12729	6.4
154.51309	4.5
159.04431	7.5
161.13252	14.4
165.12723	7.8
171.11394	2.8
175.14754	6.0
179.14273	7.5
182.18887	2.8
187.03859	13.1
191.17937	3.4
193.19531	5.9
201.05392	6.0
205.04820	4.4
215.03328	6.5
216.03998	3.3
217.19487	42.4
235.01477	59.3
235.20544	42.7
235.51653	22.0
237.53484	3.9
242.52698	9.9
243.00113	14.8
243.02672	4.8
243.50206	5.7
244.02049	100.0
244.52226	34.0
245.02293	3.8
251.53180	49.5
252.03380	18.1
252.53519	3.1
253.21573	17.1
254.15732	16.3
255.52895	15.1
259.04395	5.7
260.53824	8.3
263.04071	12.8
263.53943	3.9
271.06058	4.3
271.16757	3.1
272.16739	7.1
273.00629	4.7
291.01746	23.6
292.02075	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	271.2012
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	18.3
56.05025	1.8
57.03429	0.8
57.07063	5.3
58.02937	1.5
60.04512	2.6
66.67365	0.5
67.05498	5.0
68.05032	3.1
69.07057	15.3
70.02931	1.7
70.06581	3.4
70.70049	1.2
70.70437	1.1
71.04959	0.7
71.08614	1.5
72.04508	0.7
73.02899	2.6
74.02436	3.7
79.05468	1.2
81.07050	8.6
82.06560	2.3
83.08607	21.6
84.04507	4.1
84.08120	1.6
86.02403	2.6
87.05576	12.9
88.03979	6.4
91.05440	0.5
93.07008	1.7
95.08598	7.7
96.04481	0.9
96.08099	3.2
97.06500	0.5
97.10157	7.3
98.09683	2.1
98.20873	0.5
99.00797	1.8
100.03967	2.8
102.05531	4.8
105.06985	0.7
105.57713	0.5
107.08572	1.2
109.10125	1.1
110.05988	2.7
110.09678	0.6
114.05505	4.2
119.08566	0.7
121.10170	0.8
123.11724	0.7
128.03450	0.7
128.07060	4.0
133.10094	0.8
135.11649	0.5
137.13222	1.5
142.08603	3.5
156.10138	0.9
156.17461	41.3
166.15892	40.7
168.17464	9.6
179.14261	0.5
180.17447	3.0
182.19000	4.6
184.16959	1.0
194.15343	0.5
208.16939	7.1
210.18491	1.5
212.16423	29.3
225.19577	16.5
226.17975	10.2
226.20067	0.8
227.21155	2.3
254.17477	37.4
271.20126	100.0
272.18256	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.2009
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	17.4
56.05013	1.9
57.03428	1.3
57.07055	3.5
60.04506	3.1
67.05489	3.6
68.05015	4.0
69.07063	13.3
70.02931	1.7
70.06574	2.1
70.22174	5.0
71.08595	2.0
73.02905	2.6
73.34425	0.9
77.55431	1.0
81.07053	7.5
82.06561	2.9
83.08146	1.4
83.08609	21.5
84.04467	4.0
84.08125	2.2
86.02420	3.1
87.05573	14.8
88.03971	4.5
89.54756	1.1
89.64022	1.0
89.64689	1.1
95.08610	6.4
95.47166	1.0
96.04478	1.4
96.08110	3.0
97.10155	7.2
98.09674	2.7
98.20850	1.4
99.00797	2.0
100.03951	3.4
102.05529	4.5
105.07060	1.0
110.06026	2.3
114.05493	4.3
128.07080	5.8
137.13208	1.6
142.08615	4.4
156.10143	2.0
156.17451	13.0
157.15942	1.0
166.15901	43.7
168.17438	11.1
170.89409	1.0
180.17404	2.9
182.19096	4.9
208.16914	7.4
210.18498	1.3
211.07506	1.1
212.16429	29.9
212.18356	2.2
225.19591	18.7
226.17958	13.5
227.21184	2.5
228.19637	1.9
237.69289	1.1
246.08231	1.1
254.17477	43.5
271.06082	1.6
271.20123	100.0
292.38663	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1646
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	0.5
60.04519	0.5
67.05498	1.0
69.07054	2.3
69.60173	3.0
70.06580	60.9
71.06926	0.7
81.07034	1.0
81.09898	0.5
83.04966	0.4
83.08584	0.6
84.08122	0.8
86.09687	26.6
87.09993	0.4
91.05470	0.9
95.04922	0.5
95.08581	1.2
107.08591	1.0
109.02882	0.8
109.10120	0.7
112.07586	21.4
116.07070	100.0
117.07368	0.7
123.08000	0.5
128.10686	16.5
128.11633	0.8
135.11642	0.5
140.07036	12.8
156.10133	2.8
163.14795	0.5
183.08026	0.5
211.13300	0.5
225.15863	0.5
239.03300	1.7
247.23286	0.4
253.09496	0.6
271.02255	0.7
271.05951	1.2
271.10495	1.4
271.16757	0.7
272.16556	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1899
Annotation	(+)-Yingzhosu A
Peak:m/z	Relative Intensity
53.03922	4.0
54.70890	1.5
55.01851	3.5
55.05262	2.5
55.05501	35.1
56.96548	1.7
57.03430	22.2
57.07050	3.8
65.03907	2.0
67.05491	49.7
69.03407	3.1
69.07054	37.6
70.06556	5.0
71.04981	14.8
71.08601	3.3
71.57211	1.6
71.57668	2.7
72.08121	4.8
79.05483	28.3
81.03396	3.4
81.07042	91.8
83.04941	6.2
83.08606	23.6
84.04506	8.2
84.04885	1.5
84.08097	3.4
85.02866	4.7
85.06524	9.7
86.09674	2.2
88.07602	1.8
91.05462	27.0
93.07024	28.8
95.04954	4.0
95.08588	100.0
97.02818	1.9
97.06518	18.7
97.10126	7.2
99.04433	2.1
99.08052	3.9
100.07565	2.7
100.53646	1.8
105.06392	2.1
105.07015	25.4
107.04936	2.9
107.08562	17.7
109.02844	2.4
109.06506	3.8
109.10141	20.6
111.08020	4.9
113.09628	1.5
114.05520	8.4
117.06984	3.5
119.08551	24.7
121.10141	12.8
123.08069	8.5
123.11646	7.3
124.54339	1.9
125.09619	2.1
130.04944	5.9
131.08513	4.1
133.10110	23.6
135.08063	2.0
135.11670	12.7
137.09596	2.3
137.13213	7.1
142.04927	6.8
142.05951	1.9
142.07811	1.6
145.10069	4.7
147.11612	5.2
149.13184	4.6
151.11140	4.1
155.08522	2.4
159.11668	5.8
161.11967	2.8
161.13228	40.6
165.06889	3.2
169.12158	2.4
173.09489	1.8
173.13158	2.7
175.11247	1.8
175.14694	2.2
177.16318	2.0
179.14240	21.0
187.14789	2.0
197.15221	2.4
201.16281	3.1
215.17982	3.8
225.16176	2.5
225.19823	1.6
253.17845	3.9
254.17384	6.7
271.05939	3.8
271.10083	8.3
271.18948	80.5
271.23975	27.5
272.19141	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1538
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	5.9
55.01859	6.6
55.05502	16.2
57.03428	4.4
57.07066	5.2
67.05492	24.9
69.03419	17.0
69.07059	20.1
69.50549	14.1
69.50971	10.1
70.06580	8.7
71.04980	11.0
71.08592	3.1
72.08144	6.7
73.02914	3.3
79.05482	28.7
79.78447	2.3
81.03396	9.0
81.06570	3.9
81.07047	62.4
83.04985	12.2
83.08601	11.2
84.04478	8.7
84.08133	7.2
85.02894	8.9
85.06525	9.7
86.09692	6.1
91.05468	19.9
91.68491	2.5
93.07036	70.4
95.04948	13.0
95.08589	39.8
97.02859	4.9
97.06522	23.5
97.10161	5.2
98.97578	3.8
99.04449	25.6
102.05531	4.1
105.07021	43.1
107.04942	6.3
107.08584	37.5
109.02867	21.3
109.06485	27.1
109.10114	15.9
110.07210	2.7
111.08059	7.9
117.06973	6.6
119.04923	4.5
119.08577	32.8
121.06490	66.4
121.10139	22.3
123.08038	8.8
123.11685	14.6
125.02342	15.7
125.05985	6.4
127.03908	18.6
127.07568	15.2
128.06226	4.5
129.06950	9.9
131.08566	10.0
133.10092	22.2
135.08080	16.2
135.11693	9.6
137.05951	5.8
137.09541	3.4
139.07515	17.3
139.80511	3.0
142.07753	5.8
143.06978	3.2
143.08537	10.8
145.10114	13.8
147.08008	6.9
147.11685	59.9
148.06035	4.6
149.13248	6.8
153.06987	5.4
153.09074	2.6
155.08496	7.8
157.10135	19.7
159.08096	4.5
159.11740	2.9
161.09595	3.1
161.13240	10.3
163.14809	3.7
165.06949	10.3
165.12762	28.7
171.11691	19.3
173.09650	5.7
173.13243	7.0
175.11137	27.1
183.08014	6.2
187.14644	3.7
189.12703	24.0
189.16335	3.5
191.14302	7.5
193.12227	22.6
197.13199	3.4
199.11151	18.2
207.13733	12.4
209.15385	4.6
210.22110	3.4
211.07506	6.2
211.13260	5.4
215.17807	4.2
217.12210	73.4
217.19507	3.6
229.14349	11.1
235.13261	100.0
236.13519	3.3
239.06894	3.9
243.10057	3.0
253.14316	43.8
271.06039	23.3
271.09384	17.5
271.13968	4.7
271.16867	9.6
271.20178	4.5
271.24225	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	271.1537
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	3.8
55.01857	2.8
55.05503	15.1
56.96560	4.1
57.03415	5.2
57.07062	7.8
57.88675	2.3
66.74691	2.3
67.05494	24.2
69.03404	4.6
69.07059	23.7
70.06566	5.9
71.04978	9.3
71.08623	3.8
71.62728	2.7
71.63106	4.1
72.08149	4.0
79.05476	24.8
81.03398	5.5
81.06569	3.8
81.07047	62.4
83.04951	8.2
83.08605	12.2
84.04504	2.7
84.08127	4.6
85.06533	7.6
86.09697	2.8
87.04439	2.4
91.05466	21.6
93.07030	67.6
94.23419	2.3
95.04955	13.4
95.08595	43.0
97.06519	21.6
97.10159	13.2
98.06049	5.8
98.97563	4.8
99.04444	15.6
99.08047	2.4
101.05971	2.7
105.07024	42.6
107.04950	4.5
107.08592	32.9
109.02877	3.4
109.06500	25.7
109.10161	17.5
110.07087	5.2
111.08071	7.5
111.11684	3.9
116.98566	3.7
117.07010	5.3
119.08556	27.5
121.06488	65.8
121.10123	12.4
123.04408	4.2
123.08038	12.3
123.11676	9.0
125.05964	6.7
125.09619	2.5
127.03853	3.0
127.07536	16.6
129.06975	3.8
131.08545	8.6
133.06491	6.1
133.10121	23.6
135.04395	5.5
135.08043	21.9
135.11674	6.7
137.05939	5.0
137.09622	3.4
139.07510	18.1
142.07735	3.5
143.06956	4.3
143.08531	10.3
145.10106	12.5
147.08009	5.6
147.11678	53.7
149.09576	2.7
149.13197	6.8
151.07504	6.6
151.11140	2.6
153.06923	2.5
153.09053	2.9
155.08371	3.2
156.09328	4.0
157.06442	2.7
157.08829	3.6
157.10115	19.6
159.08044	5.9
159.11644	4.3
161.09703	3.1
161.13239	16.1
163.14755	2.9
165.06969	4.2
165.12701	26.0
166.07748	3.6
171.02373	2.8
171.11624	18.5
173.09698	3.9
173.13272	3.9
175.11192	24.1
175.14841	3.9
179.14235	3.2
181.10114	6.4
189.12735	20.3
193.12239	23.0
197.13242	2.5
199.11122	21.2
207.13808	16.1
211.07549	5.8
211.13211	5.3
215.17926	3.2
217.12212	100.0
217.19443	5.9
228.19550	13.5
229.14339	8.0
235.13260	95.5
235.20598	7.2
236.13612	3.2
253.14302	50.0
253.21704	2.8
271.06015	18.1
271.09650	13.2
271.17154	5.3
271.20493	7.4
271.24301	14.8
272.16675	2.5
272.22058	4.6
286.94186	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1439
Annotation	Quinolactacin A
Peak:m/z	Relative Intensity
53.44395	0.9
54.44164	1.0
55.05497	3.4
57.07058	3.1
57.88346	1.2
65.84233	1.1
67.05491	5.1
69.07053	3.7
70.06585	2.2
71.04993	1.7
71.08625	1.3
71.23174	2.0
77.85210	1.1
79.05480	4.3
81.07058	5.0
83.04975	1.5
83.08595	3.0
87.44241	1.0
91.05471	3.3
93.07005	1.8
95.04973	1.3
95.08589	4.0
96.08112	3.5
97.10194	1.3
98.06032	1.3
105.07004	1.8
106.06564	2.5
108.08092	8.4
109.10135	1.6
115.05418	1.2
117.06974	2.2
119.08508	2.0
121.10130	1.4
123.08121	1.2
126.51236	1.1
129.06967	1.9
131.08632	1.1
133.10095	1.9
134.05980	1.5
135.05348	1.2
136.07521	1.6
142.07758	1.8
145.10094	1.6
148.07634	1.7
158.09601	1.6
159.08008	1.7
166.07706	1.2
168.08072	4.0
169.08882	3.4
169.10155	1.7
172.07625	1.6
174.09196	1.5
181.10109	1.4
182.09666	2.2
183.10417	5.6
186.09177	1.5
196.07594	3.6
197.08328	6.8
198.09093	1.1
198.12791	7.3
199.08618	6.9
199.12419	1.4
210.11407	1.3
211.09886	12.2
212.09480	1.4
213.10214	11.3
214.10977	2.8
215.15456	3.1
226.10176	2.0
226.12254	26.4
226.30138	1.0
227.11757	19.4
228.12564	24.5
240.08832	1.3
241.09627	1.8
242.10593	1.8
243.14880	20.5
253.13374	2.8
253.19252	1.2
254.11740	2.4
255.11256	23.7
256.12036	29.8
271.06104	9.3
271.14389	100.0
271.16809	4.7
271.24503	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	270.2787
Annotation	Capsi-amide
Peak:m/z	Relative Intensity
55.05257	2.9
55.05504	48.7
55.65502	2.1
56.05006	2.8
57.06865	2.0
57.07071	21.4
60.04515	4.5
62.06084	77.6
67.05483	4.6
68.05838	2.6
69.06717	3.9
69.07062	53.3
70.06580	3.7
71.08620	14.0
71.62758	3.4
74.06068	2.2
74.78036	2.2
79.05482	2.4
81.07013	6.4
83.08612	49.5
85.10155	4.0
86.09694	3.1
88.07626	12.5
91.05468	3.2
93.07026	3.6
95.08565	4.1
97.10159	29.4
98.06014	2.6
111.11689	6.9
124.99949	2.7
149.54865	2.7
171.77827	2.6
196.75424	2.3
226.25185	14.6
229.99792	2.4
270.14853	3.6
270.24164	10.6
270.27869	100.0
271.05988	2.5
271.28165	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	271.0809
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	0.4
51.40115	0.3
53.03938	9.1
55.01869	0.5
55.05502	1.0
56.51699	0.3
57.03437	2.2
59.04988	0.6
67.05491	1.1
69.03420	19.8
69.07045	0.7
69.60165	3.2
70.06573	0.6
71.01334	0.5
71.04982	4.7
73.02907	10.2
76.94160	0.4
79.05497	0.9
81.03406	30.2
81.07034	1.5
83.01340	0.6
83.04980	0.6
83.08600	0.4
84.08099	0.4
84.38987	0.3
85.02893	12.3
85.06522	0.4
87.04461	2.2
91.05456	0.9
93.06997	0.5
95.04955	0.6
95.08569	1.5
97.02879	14.1
97.06502	0.5
97.10157	0.4
98.21382	0.5
99.04440	29.7
100.04735	0.5
101.02365	0.4
103.03934	6.2
105.07021	0.8
107.08583	0.9
109.02864	100.0
109.10132	0.7
110.03159	0.9
116.77504	0.4
119.08595	0.5
121.06465	0.5
127.03899	54.1
128.04219	0.6
133.10152	0.6
143.08565	0.3
145.04941	3.6
147.11688	0.5
163.07498	0.6
165.06927	0.5
165.09114	0.4
169.04939	2.4
193.12080	0.3
197.13135	0.4
209.08070	2.0
211.07538	0.5
217.56232	0.4
235.05992	1.4
253.07069	2.4
271.05795	0.9
271.07990	5.7
271.10782	0.6
271.17081	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	270.206
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	0.9
55.01852	1.7
55.05500	22.8
56.05025	4.9
57.07066	5.8
58.06581	3.4
60.04498	2.6
67.05485	7.3
68.05009	9.3
69.03404	1.8
69.07054	19.5
70.02579	0.9
70.02943	17.1
70.06587	5.6
71.04976	1.2
71.08601	3.5
71.62459	1.1
71.62836	0.8
72.08127	1.1
73.02901	4.1
76.19633	0.7
79.05468	2.2
80.63350	0.8
81.07043	8.6
82.06562	5.0
83.08605	14.8
84.04466	3.3
84.08133	2.0
84.96014	0.7
86.06051	14.6
86.09650	0.9
88.03976	21.2
91.05466	1.1
93.07018	2.4
94.07357	1.0
95.06090	0.8
95.08596	6.5
96.08119	5.3
97.10146	5.4
98.06016	1.5
100.03980	6.2
100.07598	1.2
102.05513	2.7
105.06972	0.7
105.10458	0.8
107.08562	1.3
109.10114	1.1
110.06024	2.7
110.07143	3.2
110.09659	1.5
114.05485	1.8
116.03434	27.6
118.04942	0.7
119.04961	0.9
128.07051	2.7
133.10155	1.0
137.13252	0.9
142.08606	3.4
144.06509	1.1
153.73570	0.8
154.15916	2.4
156.07671	1.2
156.10168	1.0
160.26028	0.9
166.15900	9.5
172.16928	0.9
180.17421	15.8
182.19011	10.0
198.18517	3.8
208.16927	2.2
212.20024	1.1
224.20062	1.5
226.17989	34.6
232.16710	1.4
240.06532	1.1
241.07372	1.0
270.20599	100.0
271.05811	1.9
271.13199	0.9
271.20825	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	270.2424
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09793	0.4
53.03926	0.6
55.05500	22.3
55.71258	0.3
57.07060	4.4
57.84571	0.4
67.05485	0.8
68.05002	1.1
69.03416	5.2
69.07054	25.5
69.97927	2.5
70.06580	10.6
71.08596	1.4
75.41074	0.4
81.07031	0.9
83.08601	16.2
84.04474	1.0
85.10152	1.4
86.06052	15.4
87.04451	25.6
88.07619	0.8
95.08584	0.6
97.06480	0.6
97.10154	10.7
98.06036	39.8
98.20763	0.5
102.05491	1.1
104.06403	0.9
104.07083	15.0
111.11703	3.7
112.07567	0.8
143.64899	0.4
184.20580	5.0
193.96608	0.4
252.23174	3.8
270.24222	100.0
271.24539	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	270.1848
Annotation	Haplacutine F
Peak:m/z	Relative Intensity
53.20578	0.6
55.05490	2.9
57.07054	1.9
62.06081	1.0
67.05488	2.5
69.07039	3.2
70.06564	0.9
70.48461	0.7
71.08612	1.3
71.62834	0.8
74.06103	0.7
79.05486	4.2
81.03439	0.7
81.07018	1.4
83.08594	0.9
88.07621	1.2
91.05454	1.7
93.07017	2.0
94.06562	2.8
95.08601	1.8
97.10127	0.8
105.07022	1.3
106.06544	2.4
107.07321	0.7
107.08574	1.2
115.05411	0.9
117.05769	1.9
117.06970	1.5
118.06509	0.9
122.06045	3.4
122.06802	0.7
125.02337	2.4
126.02714	1.0
128.06232	0.9
129.06961	1.3
130.06506	17.6
131.07291	1.7
132.08102	0.8
133.06485	1.0
134.09622	1.3
141.06960	1.0
142.06514	0.9
143.03342	1.2
143.07291	2.4
144.08083	4.0
148.07582	1.2
155.07344	1.0
155.08493	1.0
156.06772	0.8
156.08070	25.5
157.08847	29.3
158.09627	6.1
160.07590	1.0
163.11145	3.2
169.10191	0.8
170.09633	8.8
171.10458	1.9
172.11188	1.1
182.09650	1.6
183.08028	1.1
184.07579	2.6
184.11232	1.2
185.08307	1.0
186.09106	2.5
197.23120	0.7
198.09117	2.6
199.09937	1.8
200.10677	3.6
207.13986	0.8
212.10707	3.1
214.15855	0.7
226.25266	1.0
228.17499	3.8
240.17404	1.2
242.19081	2.6
270.18484	100.0
270.27911	4.2
271.05991	1.6
271.18793	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1896
Annotation	4-[1-Ethyl-2-(4-methylphenyl)butyl]phenol
Peak:m/z	Relative Intensity
53.03919	2.2
55.01865	2.4
55.05503	12.5
56.96525	2.0
57.03410	4.7
57.07064	45.8
65.03904	1.8
67.05495	17.3
69.03404	3.4
69.07059	12.4
69.35774	11.9
69.36207	6.5
70.06579	7.5
71.04958	2.6
71.08638	2.9
72.08141	1.9
79.05479	10.4
79.69013	1.5
81.03417	3.5
81.07037	20.3
81.58644	1.6
83.04982	3.3
83.08595	6.0
85.10168	100.0
86.06049	4.0
87.04451	7.8
90.16054	1.6
91.05465	16.5
93.07028	15.3
95.04967	3.5
95.08585	21.9
97.06530	2.8
97.10126	4.1
98.06042	22.3
98.97574	2.6
100.06295	1.8
103.05449	17.0
105.07019	12.7
105.64290	1.6
107.08562	8.8
109.10146	6.8
113.09627	73.4
113.10416	4.2
115.05437	10.1
116.98591	3.2
117.07010	7.7
119.04919	7.7
119.08565	4.7
121.10109	8.3
123.11703	2.0
128.06209	9.1
129.06987	23.8
131.04918	16.7
131.08525	4.3
133.10117	3.9
134.99603	2.5
141.06960	21.7
142.07762	12.4
143.08492	9.5
145.06433	2.6
145.10089	3.6
147.11632	4.1
149.13170	3.4
151.05130	2.0
153.07016	4.0
154.07736	2.6
155.08525	11.4
156.09387	2.3
157.10117	37.9
159.11646	6.2
165.07002	4.3
166.07761	2.5
167.08542	6.7
169.10077	3.8
171.08043	3.4
171.11690	4.9
173.13231	3.3
173.47578	1.8
181.10104	6.8
183.08057	2.3
184.10014	4.6
184.20613	3.7
185.09497	10.8
185.13268	3.5
187.14751	1.9
189.00711	2.0
195.11676	2.5
198.10364	2.7
199.11209	4.8
213.16351	2.5
227.17815	3.0
239.08545	5.2
241.19308	3.9
251.18102	8.0
251.20224	5.0
252.23178	2.5
253.10057	2.3
269.09586	15.0
269.12927	5.4
269.19003	77.2
269.22647	18.0
270.10352	2.1
270.24231	31.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1743
Annotation	Trichotriol
Peak:m/z	Relative Intensity
53.03932	5.2
55.05254	2.1
55.05501	23.2
57.03428	21.0
57.07059	5.5
65.03927	2.9
67.05495	69.2
67.10409	1.8
69.03407	5.0
69.06718	2.1
69.07058	28.0
69.31383	19.7
70.06576	3.6
71.04987	10.5
71.08616	3.6
72.08120	2.0
73.42011	2.0
79.05050	2.9
79.05480	44.0
81.03379	4.2
81.07043	98.8
83.04978	9.7
83.08609	20.7
84.08113	6.5
85.02868	4.3
85.06548	9.1
86.09688	3.8
91.05463	26.6
93.07027	73.5
95.04961	13.2
95.08591	31.5
95.09164	3.3
97.06510	19.7
97.10152	2.9
99.04468	2.5
99.08061	8.1
99.19992	1.9
101.06007	2.1
105.06992	13.3
107.04934	5.6
107.08577	30.9
109.06487	6.8
109.10131	7.5
110.07082	3.2
111.04398	3.1
111.08061	9.3
113.05964	4.7
113.09628	2.8
115.05436	2.7
117.07011	16.0
119.08553	8.8
120.08067	6.7
121.06445	2.9
121.10126	18.4
123.08067	3.6
123.11645	5.0
127.07522	1.7
129.06946	2.4
131.08549	16.3
133.10118	24.8
135.07994	2.7
135.11682	14.9
136.06136	7.4
136.07515	2.2
137.06496	6.1
137.09500	1.9
139.11104	2.2
141.06995	2.2
143.08453	1.8
145.06514	1.7
145.10049	3.9
147.11673	2.6
149.09567	3.6
149.13237	40.6
150.13666	1.6
150.28529	1.9
151.07564	1.7
151.11116	2.8
153.06970	1.8
159.11673	39.2
161.13214	5.2
163.11374	1.6
165.06964	1.9
165.09097	2.6
166.07664	2.2
167.10768	1.8
169.06482	3.6
173.13336	2.1
177.12730	30.9
179.03351	7.1
179.14253	7.1
181.10068	2.7
195.13783	14.4
205.08595	2.8
205.12111	2.5
209.09544	2.4
210.96930	1.9
215.17796	2.3
216.06670	1.7
233.08026	5.4
233.11632	3.3
233.15242	2.3
251.09064	5.5
251.12698	4.4
251.16403	2.6
251.20100	3.2
252.15970	3.2
269.09222	3.8
269.11752	4.2
269.17419	100.0
270.17429	2.3
279.07269	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1741
Annotation	Trichotriol
Peak:m/z	Relative Intensity
53.03923	3.4
55.01856	3.1
55.05256	2.0
55.05503	24.2
57.03178	1.8
57.03428	19.6
57.07049	2.9
65.03918	3.2
66.31699	1.2
67.05496	77.4
69.03403	2.8
69.06712	1.7
69.07059	24.6
71.04984	8.1
71.08615	1.9
79.05479	42.4
81.03400	2.9
81.07047	98.2
81.58512	1.2
83.04967	9.9
83.08604	20.9
85.06531	7.6
86.09679	1.7
87.79198	1.2
91.05471	32.3
93.07030	77.6
95.04956	9.2
95.08592	28.3
97.06518	18.3
97.10137	2.5
98.97575	1.8
99.04451	3.0
99.08081	4.8
105.07014	14.1
106.07305	1.6
107.04930	2.7
107.08578	34.1
109.06506	7.0
109.10123	7.5
111.08070	8.8
113.05980	1.5
115.05486	1.4
117.07001	15.2
119.08552	4.9
121.06417	1.3
121.10127	15.1
123.08042	1.9
123.11672	4.9
129.06964	2.0
131.08554	17.1
133.10106	21.6
135.08031	2.8
135.11668	13.3
136.06178	2.5
137.06590	2.3
138.06340	1.3
139.07558	1.4
145.06467	1.4
145.10094	3.7
147.11630	4.4
149.09619	2.5
149.13242	44.0
151.11142	3.8
159.11674	38.7
159.13007	1.8
161.13194	6.3
163.11140	2.0
165.12778	1.4
173.09636	2.8
177.12726	27.8
179.14270	8.3
187.11200	1.4
192.08832	1.9
194.60507	1.1
195.13741	13.5
200.05148	1.2
213.14767	2.6
215.10649	2.4
219.15129	1.2
229.27417	1.3
233.11601	1.5
239.15433	3.4
248.08081	1.5
248.16092	1.7
251.12729	3.3
251.16385	3.8
251.19974	1.5
252.10889	1.3
269.17429	100.0
270.17822	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1743
Annotation	Trichotriol
Peak:m/z	Relative Intensity
53.03936	3.7
55.01852	5.5
55.05502	19.6
56.05021	2.2
57.03424	23.8
57.07048	5.3
60.01360	1.3
60.41734	1.2
65.03915	1.9
67.05494	68.3
69.03410	3.4
69.06709	2.2
69.07056	26.6
70.06571	5.0
71.04984	9.7
71.08606	2.0
79.05479	42.4
81.03395	4.6
81.07043	100.0
83.04956	8.6
83.08603	17.5
84.04501	3.1
84.08132	9.9
85.02870	3.2
85.06519	10.2
86.09686	7.6
89.03902	1.5
90.57189	1.2
91.05463	29.4
93.07027	67.0
95.04961	12.5
95.08588	28.2
97.06519	19.9
97.10133	1.9
99.04453	2.6
99.08078	5.4
101.06013	1.4
103.05464	1.2
104.05200	1.2
105.03363	1.7
105.07014	15.1
107.04910	3.8
107.08574	32.1
109.02927	1.5
109.06504	9.8
109.10130	5.8
110.07132	4.4
111.08038	9.7
115.05350	1.4
115.07520	1.5
117.03353	5.4
117.07001	15.7
119.08559	6.2
120.08089	4.9
121.06483	4.4
121.10129	14.0
123.08068	4.4
123.11703	5.9
125.09615	1.6
127.07579	2.2
127.11235	1.8
129.06943	2.0
129.10223	4.6
131.08553	16.0
133.10110	18.5
135.08095	6.3
135.11665	12.8
136.06143	3.8
136.07509	1.5
137.06619	2.7
137.09529	1.9
139.07504	1.6
139.11101	1.4
141.05513	1.5
145.02812	13.6
145.10088	4.9
147.08015	3.0
147.11612	1.8
149.05936	2.5
149.09576	4.3
149.13234	37.3
151.07471	1.5
151.11157	5.3
153.09039	2.8
159.11674	33.5
159.13000	1.7
161.09550	1.5
161.13246	3.7
165.09125	3.1
167.14339	1.5
169.10156	1.5
169.12151	2.2
173.09489	2.6
173.13197	1.7
177.05435	21.5
177.12724	27.4
179.03360	2.1
179.14293	4.5
183.08421	2.0
191.10680	2.7
195.06523	2.9
195.13779	13.4
197.12872	1.5
205.12137	2.0
209.11560	1.9
215.10602	2.2
223.06041	4.7
223.13248	1.6
223.39867	1.2
233.08199	2.5
233.11714	1.9
251.09071	2.9
251.12735	4.6
251.16354	2.7
251.20039	4.1
269.07953	1.7
269.13687	4.0
269.17441	78.2
270.11469	7.4
270.17624	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	269.1743
Annotation	Trichotriol
Peak:m/z	Relative Intensity
52.46036	1.0
53.03922	3.5
55.01848	3.1
55.05260	1.1
55.05502	20.0
57.03428	20.7
57.07058	2.9
65.03916	2.3
66.02231	0.9
67.05494	77.1
68.05827	1.0
69.03411	1.6
69.07056	23.5
71.04968	8.4
71.08617	1.6
71.63174	1.2
72.08105	1.4
73.02864	1.4
79.05480	42.1
81.03386	1.3
81.07043	100.0
82.07374	1.1
83.04973	10.6
83.08602	17.4
84.08127	1.3
85.02907	1.2
85.06533	9.9
86.09684	2.5
91.04889	1.0
91.05467	32.1
93.07028	78.9
95.04951	11.2
95.08591	32.6
96.66670	1.3
97.06511	16.6
97.10143	2.6
98.97554	1.9
99.04442	1.5
99.08063	6.5
105.07008	21.7
107.04931	4.1
107.08578	33.1
109.06497	7.0
109.10121	8.5
109.56296	1.0
111.08067	9.4
113.05982	2.5
113.09601	1.2
115.05359	1.0
117.07008	14.0
119.04939	1.4
119.08556	7.9
121.06460	4.5
121.10128	13.4
123.08044	2.1
123.11697	5.3
125.05954	3.9
125.09561	1.6
127.07560	1.8
130.07722	1.6
131.08546	19.9
133.06358	1.3
133.10115	21.2
135.08006	4.3
135.11661	17.0
136.06139	3.1
137.05757	1.2
137.06612	2.1
137.09639	1.3
139.07567	1.4
143.07001	1.9
143.08548	1.3
144.09357	1.0
145.06430	1.2
145.10088	10.4
147.11667	2.9
149.09624	1.9
149.13245	41.2
151.07516	1.7
151.11116	2.7
153.09131	1.4
155.08398	1.3
157.10109	3.1
159.08095	1.3
159.11670	42.9
161.09474	1.1
161.13206	5.1
163.11182	9.8
165.09077	2.3
171.11629	2.5
173.09529	4.8
173.13177	2.0
177.12704	30.7
179.14238	6.7
181.12193	3.0
187.11177	4.7
187.14801	1.2
189.12741	1.0
191.10658	3.9
195.13776	13.8
197.09610	2.1
199.14819	1.2
205.08800	1.2
205.12175	4.7
209.11653	3.0
213.16365	2.6
215.10661	6.8
215.18153	1.1
227.07002	1.4
227.12694	1.7
227.17717	1.3
233.11731	4.1
251.12697	4.4
251.16254	2.6
251.20041	2.1
257.06790	1.5
268.57300	1.3
269.17432	88.8
269.22504	8.9
270.08688	2.3
270.17688	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	269.1381
Annotation	Pectinolide B
Peak:m/z	Relative Intensity
53.03944	4.2
55.01864	4.2
55.05506	10.5
56.05016	2.2
57.03433	2.5
57.07056	5.5
58.31464	1.9
65.03929	3.0
67.05498	32.0
69.03406	6.2
69.07053	13.3
69.71421	13.7
70.06582	5.7
71.04985	58.7
74.06059	5.6
79.05491	21.0
81.03391	2.2
81.07045	99.6
83.04962	8.3
83.08595	2.6
84.04469	3.4
84.08123	8.2
85.02878	2.6
85.06529	67.3
86.09686	12.4
91.05479	16.2
93.07033	36.3
93.85876	2.0
95.04955	100.0
95.08589	7.0
97.02882	2.2
97.06519	20.0
99.03909	2.0
99.04449	13.0
105.07007	24.4
107.04939	5.1
107.08575	17.7
109.06503	87.6
111.04418	2.3
111.08072	6.5
113.05995	22.4
115.05318	2.5
117.07002	6.5
119.04950	5.0
119.08564	9.9
120.08086	7.3
121.06482	8.2
121.10136	14.2
123.04409	7.3
123.08073	3.8
125.05997	10.6
127.03896	2.5
127.07539	51.7
129.10211	6.3
131.08572	13.8
133.06471	3.2
133.10126	4.4
135.08064	4.6
135.11652	5.7
136.06190	3.4
136.07605	2.6
137.05914	36.1
139.07597	3.3
141.05437	5.5
143.07036	5.3
143.08493	3.6
145.06415	4.1
145.10100	43.2
147.08009	4.7
147.11636	3.3
149.05928	3.8
149.09604	7.5
151.07530	14.0
153.05467	5.8
153.09036	2.3
155.07030	19.8
157.08673	4.4
159.08076	2.6
159.11676	16.3
161.09604	2.8
163.11162	18.3
167.10658	2.8
169.08655	4.1
169.10097	4.9
172.05206	2.1
172.08643	2.0
173.08183	3.1
173.09599	14.1
177.12755	3.8
181.12302	3.1
187.11157	34.7
189.09056	2.6
189.12759	3.2
191.10637	38.0
205.08586	6.4
205.12210	39.0
209.11703	83.5
213.47115	2.0
215.10651	19.5
219.06470	2.5
223.13272	17.4
227.09059	5.4
232.22327	2.0
233.08186	15.6
233.11703	40.2
251.09225	14.6
251.12759	65.1
269.11111	3.2
269.13806	52.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.138
Annotation	Pectinolide B
Peak:m/z	Relative Intensity
55.01849	4.2
55.05500	11.2
56.04995	2.9
57.03407	2.6
57.07054	2.7
58.82431	1.7
65.03921	2.2
66.24463	1.3
67.05164	2.3
67.05493	35.8
69.03403	6.2
69.07059	13.3
70.06570	5.4
70.75459	2.7
71.04585	3.0
71.04980	59.4
71.08591	1.6
74.06063	4.9
79.05480	23.8
81.03408	1.9
81.07043	100.0
83.04949	6.6
84.04481	3.4
84.08129	7.4
85.02885	2.2
85.06530	65.3
86.09689	10.5
91.05460	15.2
93.07030	33.9
95.04952	96.8
95.08591	6.7
97.02890	1.4
97.06512	24.6
99.04453	11.5
105.07013	25.8
107.04928	5.2
107.08578	14.2
108.83181	1.3
108.84016	1.5
109.06496	87.7
109.81556	1.5
110.07159	2.3
111.04389	5.3
111.08052	9.5
113.02350	2.6
113.05986	20.1
117.03304	1.6
117.07006	7.2
119.04933	5.6
119.08529	10.3
120.08089	3.8
121.06474	8.9
121.10120	12.9
123.04449	7.6
123.08037	5.4
124.55195	1.5
125.05991	8.7
127.07536	50.9
129.06995	2.9
129.10228	5.0
130.07771	2.3
131.08519	14.3
132.60103	1.4
133.06465	3.6
133.10118	3.3
135.07988	2.5
135.11668	6.1
136.06194	3.9
136.07478	1.5
137.05908	42.9
139.07481	4.4
141.05435	4.8
143.06984	9.1
143.08540	4.1
145.06459	2.6
145.10098	42.7
147.04327	1.5
147.08014	4.3
147.11591	2.5
149.06013	2.3
149.09570	8.3
151.07549	11.3
151.11241	1.8
153.05415	3.0
155.07005	20.9
157.08559	7.6
159.08063	2.2
159.11662	14.5
161.09575	3.7
163.07544	3.0
163.11148	17.6
164.45392	1.6
165.08957	1.5
169.08528	4.9
169.10069	4.6
173.08167	2.4
173.09586	12.5
177.05440	3.8
177.12761	1.8
181.12196	4.6
187.11154	32.5
187.14561	2.0
189.09007	3.0
189.12743	2.1
191.10628	40.0
197.09616	1.5
205.08585	6.4
205.12204	38.2
209.11691	84.4
214.38480	1.6
215.10619	24.7
223.13264	16.2
227.09087	3.5
233.08157	13.3
233.11670	42.8
251.08990	5.5
251.12740	66.8
258.53903	1.7
269.13779	57.1
281.35614	1.8
284.78738	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1379
Annotation	Teucrein
Peak:m/z	Relative Intensity
55.01857	29.2
55.05490	20.8
55.97930	4.0
56.96547	6.2
57.03419	7.8
57.07070	24.0
58.00579	4.3
63.76174	5.5
64.74892	4.2
65.03917	5.6
67.05486	52.2
68.99803	6.1
69.03413	24.0
69.07065	48.8
70.06599	6.1
71.04980	19.9
71.13416	10.2
71.13742	5.4
79.05485	54.6
81.03387	8.1
81.07043	100.0
83.04967	48.3
83.08596	15.0
84.08122	11.2
85.06537	43.0
86.09687	13.7
91.05464	36.4
93.07030	92.2
95.04939	45.0
95.08598	59.7
97.06512	59.3
97.10110	8.1
98.97551	6.6
99.04411	21.9
105.07007	58.0
107.04913	16.9
107.08576	92.4
109.06500	40.4
109.10151	23.3
109.41808	4.1
111.04410	9.1
111.08059	19.0
113.06014	9.3
116.98583	4.9
117.06988	18.0
119.08564	23.5
121.06483	38.7
121.10114	46.8
123.04391	5.6
123.08031	17.2
123.11670	10.8
125.05967	48.3
125.09597	5.5
127.07547	23.2
129.06982	6.7
131.08565	21.5
133.06441	9.2
133.10107	18.5
135.04338	6.9
135.08015	19.7
135.11694	31.4
136.06149	23.0
137.05844	13.9
137.06631	12.1
137.09573	7.0
139.07510	14.1
141.05435	16.0
143.06956	22.7
143.08510	5.9
145.06491	7.9
145.10104	53.6
147.08025	11.4
147.11633	21.9
149.01253	4.5
149.09592	16.8
149.13211	9.3
151.07515	17.2
153.09082	5.0
153.12666	6.0
157.10080	8.1
158.99519	5.4
159.11656	20.9
163.11165	73.6
165.11377	5.4
165.12767	7.0
167.10672	15.3
169.08583	71.8
169.10014	5.5
171.11664	8.8
173.09550	11.5
173.13306	6.4
177.12714	10.8
181.12212	43.0
187.11142	24.1
188.28156	4.6
191.02312	5.3
191.10619	31.3
191.14226	6.4
193.12277	7.9
197.09514	6.3
205.12216	21.3
205.15817	5.6
209.11684	70.1
215.10632	24.0
227.12727	42.5
233.11694	52.1
249.07001	10.9
251.12720	61.2
251.20058	12.3
262.19269	4.9
269.13776	32.4
269.17459	4.7
269.22607	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	269.138
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93623	1.0
53.03925	2.0
55.01852	3.5
55.05262	1.4
55.05503	21.9
57.03180	1.4
57.03426	17.6
57.07056	3.7
59.04992	1.5
65.03925	2.0
67.05493	69.4
67.65008	0.9
69.03399	3.8
69.07058	28.0
70.06554	1.9
71.04982	9.0
71.08610	1.4
71.63059	2.1
73.02884	1.3
79.05482	46.4
79.84012	0.9
81.03400	4.1
81.07045	100.0
83.04971	14.4
83.08134	1.6
83.08604	18.5
84.04386	1.2
84.08121	2.7
85.02878	1.0
85.06530	9.2
86.09666	2.4
87.04443	1.3
91.05465	35.0
93.07030	76.2
95.04960	15.2
95.08592	33.4
97.02862	1.9
97.06518	20.6
97.10133	2.9
98.97583	1.4
99.04454	4.8
99.08070	4.2
100.11252	2.6
105.07010	25.3
107.04936	6.9
107.08577	35.2
109.06513	7.9
109.10141	10.2
110.07112	1.0
110.43965	1.0
111.04401	2.6
111.08070	9.3
113.05971	1.6
114.09070	1.1
115.05402	1.3
116.90804	0.9
117.07004	15.5
119.04918	2.6
119.08556	10.0
119.54429	1.1
120.08102	1.5
121.01431	0.9
121.06490	9.7
121.10128	15.7
123.04472	1.2
123.08044	3.0
123.11673	4.0
125.05981	8.7
125.09580	1.4
127.07518	2.3
129.06982	3.7
129.10249	0.9
130.07692	1.7
131.08539	18.1
133.06448	3.6
133.10109	18.5
135.04372	0.9
135.08066	7.9
135.11665	17.7
136.06151	3.3
137.05902	3.5
137.06680	1.7
137.09595	2.1
139.07477	2.4
139.11157	1.3
143.07019	2.7
143.08524	3.3
144.09286	2.2
145.06415	2.8
145.10106	21.9
147.08044	2.3
147.11723	5.2
149.09570	3.2
149.13231	33.5
151.07516	2.8
151.11121	4.0
157.08597	1.9
157.10092	2.4
158.07289	2.4
159.08054	2.6
159.11671	41.8
161.09618	1.1
161.13239	6.6
163.07457	1.2
163.11153	24.5
165.06996	1.3
167.14348	1.3
169.10040	2.7
171.11623	3.3
173.09605	12.0
173.13167	1.3
177.12718	23.4
179.08493	1.6
179.14285	5.8
181.12222	7.3
182.07190	1.2
187.11130	11.6
187.14725	2.4
189.12714	1.6
191.10645	8.2
195.13780	11.8
197.09557	4.7
199.14891	1.3
205.12212	8.1
209.11601	4.8
213.14752	2.3
215.10667	17.1
215.17888	1.7
227.06911	2.2
227.12723	4.1
233.08081	1.5
233.11688	12.0
233.15421	2.2
233.18947	2.0
241.08508	1.5
251.12752	6.5
251.16467	3.0
251.20055	4.5
264.87833	1.0
269.08008	2.0
269.17422	70.2
269.22430	3.8
270.08774	2.7
275.75711	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1016
Annotation	globosumone B
Peak:m/z	Relative Intensity
55.01849	0.7
55.05494	1.7
56.46902	0.5
57.03410	0.9
57.07050	1.7
67.05481	1.7
69.03400	1.4
69.07039	2.2
70.06596	3.4
71.04958	0.6
71.08611	0.8
71.54580	0.5
71.61449	1.0
72.08121	1.9
73.48856	0.5
78.58199	0.5
79.05461	1.9
81.03389	1.0
81.07030	2.8
83.08592	1.2
84.08132	4.3
85.02887	0.8
85.06516	0.8
86.09679	2.5
86.59219	0.6
90.94801	0.5
91.05470	5.2
93.07025	2.3
95.04948	1.3
95.08564	1.3
95.36262	0.6
97.06484	0.6
98.98454	1.2
103.05481	1.1
105.03381	1.1
105.06995	2.0
107.04922	1.6
107.08551	1.0
109.10149	0.8
110.07151	4.4
111.08089	0.8
115.05427	2.5
116.06222	0.8
117.07009	8.5
119.04913	1.4
119.08580	2.7
120.08070	1.7
121.06503	1.2
121.10142	1.3
123.04430	0.8
123.08010	0.8
125.09496	0.6
128.06194	2.2
129.07001	6.8
129.10204	1.9
131.04971	1.3
131.08556	3.2
132.05666	0.6
133.06454	1.2
135.04385	0.8
135.08002	1.3
136.06180	4.2
136.07625	1.2
137.06471	2.9
141.06938	1.1
144.05675	2.1
145.02800	0.9
145.06468	9.7
147.04384	8.4
147.08014	7.3
149.05939	1.2
149.09558	1.0
155.05989	0.8
156.07678	1.4
157.06450	3.9
157.07553	0.7
159.08041	7.6
160.05133	1.0
161.05960	3.1
162.06746	5.0
163.03914	1.0
163.07448	1.1
172.05144	2.1
173.05988	6.8
174.06729	1.1
175.03897	2.2
175.07495	6.2
176.08351	0.6
177.05470	3.3
177.09061	4.4
179.03398	0.6
185.05937	2.3
187.07498	7.1
189.05420	3.0
190.06224	9.6
191.06990	2.5
193.08493	0.9
195.06528	0.7
200.04655	0.9
201.05492	2.6
203.03276	0.8
203.06987	1.1
205.08572	56.4
206.08972	0.8
215.07024	2.1
218.05731	1.4
219.06494	6.8
220.06732	0.6
223.09587	0.9
233.08055	100.0
234.08365	1.9
251.09117	99.2
251.19978	1.5
252.09503	2.2
269.10196	3.4
269.16095	0.7
269.20932	0.7
269.24652	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1015
Annotation	globosumone B
Peak:m/z	Relative Intensity
55.01854	0.9
55.05497	1.4
57.07050	1.1
67.05478	1.9
67.49569	0.7
69.03397	1.0
69.07050	1.3
70.06554	1.4
70.95458	1.3
71.04955	1.2
79.05482	1.7
81.07027	3.2
83.04940	0.7
83.32012	0.6
84.08134	1.3
85.02883	0.9
86.09671	0.9
91.05471	4.5
93.07018	1.5
95.04944	1.7
95.08582	1.7
97.06525	1.8
105.07006	2.1
107.04897	1.1
107.08598	1.5
109.06493	1.3
109.10154	0.9
110.56004	0.7
115.05429	2.2
116.06231	0.9
117.06983	8.1
119.08573	3.3
120.08067	0.8
121.06458	2.0
121.10140	0.7
123.08083	0.8
127.20258	0.7
128.06190	3.4
129.06990	7.8
129.10178	0.8
131.04904	1.5
131.08551	3.1
132.05653	0.8
133.06517	1.0
133.10139	0.9
134.43558	0.7
135.04343	0.7
135.08026	1.2
135.11681	0.8
136.06172	2.6
137.06612	1.5
141.06987	1.2
144.05687	1.4
145.06476	10.0
147.04393	8.2
147.08054	7.7
149.05965	1.3
149.09579	2.1
149.13232	1.0
157.06456	2.6
159.08055	8.1
159.11636	0.9
160.05196	0.8
161.05949	3.1
162.06750	4.1
163.07489	1.4
165.84677	0.8
172.05159	1.8
173.05965	7.8
175.03860	2.5
175.07549	8.6
176.08278	0.9
177.09030	4.8
185.05949	2.3
187.07487	9.3
189.05432	3.4
190.06213	10.0
191.06992	2.5
194.39130	0.8
200.04680	1.2
201.05367	3.4
203.06958	2.6
205.08580	61.6
206.08917	1.5
215.07013	2.8
218.05695	1.5
219.06512	6.7
223.09668	2.0
233.08055	100.0
234.08340	2.1
251.09114	98.9
252.09460	2.2
269.10172	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	268.2055
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57526	0.2
55.05496	0.3
55.06732	0.2
55.86937	0.2
56.05029	0.2
60.51821	0.2
69.45190	2.0
77.95345	0.2
79.05472	0.3
81.07056	0.2
91.05450	0.3
93.05758	0.9
94.06551	0.9
98.20733	0.4
102.03524	0.2
105.07011	0.3
106.06509	1.3
107.07315	2.0
108.04462	1.4
117.05730	1.3
118.06515	1.4
120.08070	0.6
129.06949	0.3
130.06506	5.5
131.07292	1.6
132.08089	0.5
132.15520	0.2
136.06154	0.7
142.06490	0.3
143.07271	0.6
144.08041	1.2
154.06497	0.8
155.07303	0.4
155.08508	0.3
156.06856	0.2
156.07970	1.2
157.08817	0.6
158.09608	0.7
165.06999	1.4
167.07286	2.5
167.08566	0.2
168.08069	6.4
169.08827	0.9
170.09619	2.9
171.10408	0.3
179.08501	0.8
180.08043	4.5
181.08847	2.4
181.10262	0.4
182.09628	44.3
183.10403	7.4
184.11191	2.0
194.09637	1.9
195.10376	0.7
196.11197	15.8
197.11972	4.3
198.12773	1.1
208.11244	0.3
210.12721	3.8
211.13493	0.7
214.15897	1.0
224.14285	0.5
228.24643	0.2
238.15860	0.6
240.17467	0.5
252.17375	0.7
266.19003	0.9
268.20560	100.0
269.20892	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.1034
Annotation	Adenosine
Peak:m/z	Relative Intensity
55.01858	0.3
57.03429	0.6
58.16996	0.1
59.80315	0.1
69.03419	0.2
70.97139	0.3
71.01340	0.1
73.02914	0.2
85.02887	0.2
94.04044	0.3
94.98190	0.1
109.05086	0.1
115.03871	0.2
119.03505	0.6
133.04857	0.1
136.06160	100.0
136.79300	0.1
137.04562	0.4
137.06503	0.4
256.69934	0.1
268.10349	8.5
269.10693	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	268.1036
Annotation	Adenosine
Peak:m/z	Relative Intensity
55.01857	0.3
57.03419	0.5
61.02920	0.2
61.95481	0.1
69.03415	0.2
71.22436	0.2
73.02917	0.2
85.02892	0.4
89.67857	0.1
94.04037	0.3
97.02881	0.2
98.52048	0.1
112.89570	0.2
115.03911	0.1
119.03526	0.7
133.04916	0.2
136.06165	100.0
137.04524	0.2
137.05588	0.2
137.06493	0.7
178.04964	0.3
184.71811	0.1
212.75584	0.1
268.10376	8.8
268.98141	0.2
269.10629	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.195
Annotation	Juvenile hormone II acid
Peak:m/z	Relative Intensity
51.02344	3.3
51.59841	2.5
53.03937	4.4
55.01847	6.1
55.05287	2.4
55.05503	22.2
57.03425	41.2
57.07064	4.8
58.21746	2.5
63.81894	2.7
65.03922	4.2
67.05493	49.0
69.03428	14.0
69.07065	17.4
70.06570	3.7
71.01302	4.7
71.04966	7.4
73.02863	3.4
79.05482	40.8
81.03389	10.3
81.07043	78.6
83.04960	4.0
83.08614	13.6
85.06519	7.4
87.04444	2.8
90.72857	3.2
91.05464	23.7
93.07030	43.7
95.04945	27.2
95.08585	52.1
97.02848	3.5
97.06503	8.1
97.10148	3.1
98.98388	2.7
99.08043	8.1
105.03332	8.5
105.06998	23.1
107.08584	28.8
109.06486	10.6
109.10143	14.3
111.08002	7.9
113.09589	3.4
117.06994	10.3
119.08573	17.9
121.10135	19.7
123.04410	25.9
123.08079	20.0
123.11636	3.3
125.02386	13.0
125.09614	4.5
129.06966	3.4
131.08568	14.5
133.10120	23.1
135.11678	21.5
136.06172	38.3
137.09541	8.7
139.03793	5.5
139.07501	3.0
139.11160	2.9
143.03337	11.2
143.08504	5.1
145.10060	4.8
147.11662	17.3
147.42552	3.0
148.19872	3.0
149.09529	2.7
149.13187	10.3
151.03860	44.4
151.11115	7.2
153.09012	3.3
157.10089	7.3
159.11656	27.3
161.13193	4.6
165.05455	3.4
165.12656	3.8
169.04936	51.1
171.11613	10.1
173.13225	10.6
175.14848	13.1
177.12740	17.0
185.16524	2.7
191.14220	3.4
193.15822	6.8
194.48000	3.3
195.13751	11.7
209.15402	3.0
213.16275	17.3
220.17557	2.7
226.10371	4.6
231.17451	20.1
249.18454	50.0
267.15833	100.0
267.19189	4.4
268.10443	4.9
268.16055	5.4
268.22580	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	267.1432
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	2.3
55.05495	3.0
56.05026	8.4
57.03405	6.5
57.07048	5.3
60.04500	2.2
61.02903	5.0
65.61716	1.5
67.05483	2.9
69.03418	14.9
69.07051	20.3
70.06576	4.4
71.08600	1.5
71.20450	3.2
72.08117	2.1
73.02887	3.0
74.06066	50.7
79.05474	2.8
81.03387	5.8
81.07036	6.2
83.04952	2.2
83.08595	3.7
84.04470	2.9
84.08108	5.4
85.02889	78.7
86.09670	4.8
87.04436	2.2
87.08089	84.4
91.03905	2.2
91.05439	2.6
93.07022	1.7
95.04951	2.6
95.08560	6.8
97.02867	13.9
98.98386	1.5
99.04426	3.5
105.03381	12.1
109.02854	6.6
109.10118	2.8
117.07031	1.6
120.04437	5.5
120.08071	27.3
123.04373	2.0
127.03888	19.0
136.06163	100.0
145.04955	12.1
163.06075	2.1
166.08595	19.1
180.32462	1.7
221.12778	2.5
249.07526	2.4
249.12363	2.9
259.38062	1.5
267.08585	1.7
267.13431	9.8
268.10355	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	267.1952
Annotation	Juvenile hormone II acid
Peak:m/z	Relative Intensity
50.07330	2.3
53.03930	3.8
55.05499	25.9
57.03413	5.2
57.07076	7.1
67.05494	100.0
69.03434	4.4
69.07057	70.5
69.98460	12.6
70.06581	3.0
71.04962	4.7
71.08616	48.6
73.06541	7.7
79.05480	51.0
81.01360	2.4
81.03424	16.5
81.07046	72.4
82.43457	2.8
83.04966	7.4
83.08612	18.1
83.82571	2.5
85.06528	6.3
91.05464	34.8
93.07022	41.8
95.04951	11.6
95.08589	42.9
97.06517	26.9
98.98457	4.3
99.04459	3.9
99.08079	59.4
103.88881	2.4
105.03362	31.7
105.07017	27.1
107.04940	8.1
107.08570	27.3
109.06504	7.8
109.10134	86.9
110.35495	2.4
111.08069	7.1
115.07552	6.9
117.06978	5.2
119.08572	22.3
121.06470	4.2
121.10133	31.9
123.08057	7.7
123.11701	8.9
127.07545	5.3
129.06982	5.3
131.08562	11.1
133.10114	36.8
134.77599	2.8
135.08023	8.3
135.11659	21.6
136.06177	31.2
137.09610	9.9
139.11177	2.6
143.07005	54.5
143.08139	3.9
143.08632	4.4
145.08556	6.3
145.10088	6.0
147.11659	28.0
149.05945	34.0
149.09541	17.4
149.13264	6.5
151.11171	20.0
157.10088	5.5
159.11716	3.8
161.08084	20.6
161.09460	5.1
161.13263	3.9
165.12799	8.7
171.11665	10.3
173.13249	4.0
179.10553	3.4
183.30145	2.4
187.14688	3.8
189.12827	3.2
189.16348	3.7
203.17934	12.1
213.16338	13.5
231.17349	23.9
249.14584	3.0
249.16100	4.3
249.18494	63.6
267.15277	3.1
267.17883	3.6
267.19727	20.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1335
Annotation	H-Thr-Phe-OH
Peak:m/z	Relative Intensity
55.67476	0.6
56.05027	18.8
57.03426	3.9
57.03675	0.6
57.07065	2.0
58.06590	4.3
61.02910	0.6
65.34178	0.6
67.05489	0.9
69.03434	3.2
69.07066	3.0
70.06577	1.3
71.42426	1.8
74.06068	100.0
81.03389	1.0
81.07046	1.4
84.04494	5.0
84.08135	1.6
84.37418	0.6
85.02895	9.3
86.09687	1.3
87.08088	10.9
91.05463	2.3
93.07060	1.9
95.04924	1.1
95.08606	1.2
97.02897	3.0
99.04488	0.6
101.07156	0.8
103.05447	1.3
105.03378	5.3
107.04973	1.4
109.02859	1.8
113.96400	1.7
120.04442	0.6
120.08086	55.4
121.06489	7.6
127.03904	2.6
130.04988	1.1
131.04922	1.6
131.97432	1.2
136.06168	21.8
138.09090	1.0
144.84097	0.8
145.04970	1.6
149.06018	0.9
158.09583	1.0
166.08617	40.4
176.10745	1.2
201.11882	0.7
203.11725	1.4
213.99850	0.6
221.12820	9.2
246.18933	0.7
249.12321	6.6
250.10699	1.0
267.10464	0.8
267.13367	21.9
267.15701	0.9
268.10388	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.0859
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30430	0.7
55.01855	0.8
55.05482	1.6
56.05046	1.0
57.03414	1.7
57.07048	1.4
58.06544	1.0
67.05473	2.7
69.03399	2.2
69.07034	1.8
69.50836	5.9
70.06576	1.7
71.04966	1.2
72.08147	0.9
79.05462	3.0
81.03410	5.2
81.07031	3.4
83.01284	1.0
83.08579	1.5
84.04448	0.6
84.08111	1.5
86.09681	2.4
88.03986	0.6
89.05999	1.5
91.05463	12.8
91.49673	0.6
93.07007	3.0
94.94160	0.7
95.04926	2.9
95.08574	2.6
97.06491	1.5
103.05470	1.5
105.03373	3.8
105.07011	3.9
105.43935	0.6
107.04921	1.8
107.08556	2.0
109.06517	1.0
109.10110	1.1
111.04382	0.8
115.05444	4.9
116.06217	1.0
117.06207	1.2
117.06998	14.3
119.04979	1.2
119.08555	4.3
120.08093	1.6
121.06479	5.2
121.10123	1.7
122.21780	0.7
123.08029	1.0
125.54485	0.7
128.06203	1.2
129.06990	9.1
130.19057	0.7
131.04915	0.9
131.08537	2.8
131.28323	0.7
132.05693	1.5
133.02834	1.3
133.06424	1.9
133.08539	1.1
133.10068	2.4
134.07224	0.8
135.08017	2.3
135.11610	1.2
136.06157	6.2
137.04512	0.7
137.05920	1.0
137.09583	0.9
142.07719	0.8
143.04874	1.0
143.08452	0.7
144.05687	1.8
145.06465	14.1
147.04350	2.7
147.08015	25.6
147.11664	1.7
148.05188	0.7
149.05826	1.0
149.09558	1.5
151.07619	0.7
155.05942	1.1
157.10081	1.0
159.08011	2.8
160.05127	1.5
161.05899	2.5
161.09631	0.8
163.03793	1.2
163.07509	9.1
164.04649	2.4
167.07001	0.7
171.04395	1.9
173.02356	3.2
173.05940	25.6
175.03894	1.1
175.07513	12.0
175.11055	1.3
177.04021	1.2
177.05452	14.3
177.09042	4.8
185.05995	0.8
188.04573	0.8
189.05434	2.7
190.06210	8.3
191.03340	1.6
191.07005	11.7
193.04955	1.8
193.08574	1.1
193.12134	1.1
201.05429	4.0
203.06989	21.5
205.04874	0.9
205.08553	21.7
216.04185	1.3
217.04967	1.0
219.06567	1.3
221.08018	5.8
231.06471	24.5
231.10023	1.0
231.13768	1.2
249.07538	84.1
267.08569	100.0
267.15866	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	267.0857
Annotation	Dihydrocitrinone
Peak:m/z	Relative Intensity
54.21423	0.4
55.01847	0.4
55.05480	0.9
57.45546	0.4
63.44381	0.4
66.11787	0.4
67.05479	1.0
69.03403	0.6
69.07050	4.1
70.06553	0.5
71.04942	0.6
71.47141	0.9
73.02905	0.4
79.05464	1.1
81.03363	0.4
81.07023	0.8
83.01328	2.4
85.06470	0.5
85.17193	0.4
87.51278	0.4
91.05457	4.1
93.07050	0.6
93.31194	0.4
95.04929	0.7
95.08588	0.6
98.93098	0.4
105.03358	2.1
105.07001	1.1
107.04905	1.3
107.08586	0.7
109.06529	0.5
111.11694	1.1
115.05441	2.4
117.07004	5.3
119.08540	1.8
120.08051	0.6
120.99536	0.8
121.06456	1.6
123.08053	0.5
129.06966	0.6
132.05659	0.8
133.06456	0.8
135.07253	0.4
135.08032	4.0
143.08414	0.5
145.06456	11.3
147.04373	0.5
147.08037	3.7
148.05147	1.1
149.05954	0.7
151.07494	1.1
157.06500	0.9
160.05190	0.6
161.05922	1.4
163.07521	34.6
164.07925	0.5
165.09088	0.7
173.05974	5.6
175.07529	15.0
176.04648	0.8
177.05423	2.0
188.04617	1.1
189.05397	1.8
191.07007	47.0
193.04898	1.0
193.08557	2.7
203.07004	26.1
207.10129	0.6
221.08057	100.0
222.08397	1.4
231.06490	15.6
236.60539	0.5
243.77785	0.5
249.07578	13.8
267.08603	44.0
268.08878	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.0857
Annotation	Diaportinol
Peak:m/z	Relative Intensity
53.03949	1.2
54.77837	0.9
55.01851	2.0
55.05492	1.9
57.03423	2.2
57.07057	0.8
59.05000	1.0
67.05482	4.1
69.03394	0.9
69.07042	3.4
70.06573	2.8
70.22177	3.9
71.04980	1.7
71.08632	1.7
79.05463	3.3
81.03404	5.8
81.07050	4.9
83.04987	1.0
83.08588	1.6
84.08133	1.6
85.02901	1.7
86.09699	4.3
89.06011	1.1
91.05473	14.1
91.07992	0.8
93.07008	2.5
95.04935	3.3
95.08578	3.5
97.02875	2.5
99.04414	1.2
105.03375	16.0
105.07008	4.2
107.04935	1.6
107.08550	2.1
109.02832	1.0
109.06468	2.4
109.10143	1.9
111.04401	1.5
111.08041	1.1
115.05446	3.4
116.06186	1.5
117.07003	13.8
119.04895	1.2
119.08577	6.5
120.08087	1.5
121.06499	5.6
121.10118	1.8
123.04394	1.4
123.08066	1.8
128.06221	1.0
129.06993	9.5
131.04845	0.9
131.08580	4.3
132.05685	1.1
133.06432	2.6
133.08597	0.9
135.04419	1.4
135.07977	2.0
136.06117	4.1
137.05946	1.0
137.09601	1.1
143.04938	1.3
143.08588	1.5
144.05670	2.5
145.06458	13.7
145.10165	0.9
147.04314	1.3
147.08026	27.9
149.05974	2.2
149.09630	1.4
151.07524	2.2
157.06401	1.2
157.10100	1.4
159.08031	3.7
161.05956	1.4
163.03838	1.5
163.07544	9.1
164.04637	2.8
171.04407	1.6
173.02325	3.4
173.05969	26.6
175.04033	1.5
175.07542	14.1
175.11183	1.1
177.05437	15.7
177.09018	4.1
179.06801	0.9
188.04694	1.3
189.05374	2.5
190.06250	8.7
191.03375	2.0
191.07022	10.3
193.12308	1.4
199.03784	1.3
200.58066	1.0
201.05467	5.2
203.07011	21.4
205.04956	2.0
205.08577	23.1
207.10222	1.3
216.04259	1.0
217.04938	0.9
219.06258	1.2
221.08043	6.0
221.11763	1.1
231.06496	26.1
231.13750	1.1
235.06001	1.6
249.07565	75.5
249.14938	2.7
249.18541	0.9
250.07814	1.2
267.08609	100.0
267.16025	6.2
267.19180	1.7
268.08633	1.5
285.00391	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.1899
Annotation	Unknow
Peak:m/z	Relative Intensity
69.42061	2.8
79.05477	1.0
81.07034	0.3
91.05449	0.9
93.07021	0.4
95.70571	0.3
98.21501	0.8
105.06998	0.4
106.06557	0.4
107.07298	1.0
108.73337	0.3
115.05430	0.6
117.05747	6.1
117.07043	0.9
118.06516	1.2
119.77550	0.3
120.08047	0.3
129.06874	0.4
130.06454	0.5
131.07265	0.6
131.08577	0.4
132.07980	0.4
141.06967	0.4
142.06499	0.4
144.08058	0.7
145.08940	0.4
154.06480	0.6
155.08577	0.4
162.87714	0.4
167.07274	1.8
167.08559	0.6
168.08070	0.9
180.08054	7.9
181.08836	8.9
182.09641	6.2
183.10078	0.4
194.09619	28.9
195.10394	8.2
196.11151	3.6
208.09364	0.6
208.11163	4.8
209.12004	0.8
210.12779	0.9
222.12769	1.3
236.14388	0.6
247.08664	0.4
266.18994	100.0
267.19409	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	265.2157
Annotation	Farnesyl acetate
Peak:m/z	Relative Intensity
55.05498	13.6
57.07045	5.3
58.50341	1.5
67.05495	88.8
69.06770	1.5
69.07059	16.5
70.95021	1.7
71.08629	2.0
79.05482	18.2
81.07043	100.0
83.04964	3.5
83.08585	12.7
85.06512	5.0
91.05450	6.2
93.07026	21.8
95.08593	74.4
97.06489	4.9
97.10171	8.3
99.08073	2.5
105.07055	3.8
106.25903	1.7
107.08576	14.2
109.06508	2.2
109.10136	61.1
111.11671	3.0
117.07000	1.8
119.08573	5.7
121.10110	18.8
122.07122	2.3
123.08065	2.9
123.11691	38.4
124.12003	1.6
125.09599	2.6
131.08543	9.7
133.10114	6.4
135.08017	3.6
135.11684	20.8
137.09544	5.1
137.13245	11.0
139.11153	1.9
141.09039	1.8
145.10109	5.5
147.11676	3.4
149.09586	6.1
149.13242	15.5
151.11145	6.0
151.14774	2.1
159.11656	7.9
163.11140	7.6
163.14861	2.7
169.12238	1.8
173.13210	5.9
177.12743	6.6
181.12038	2.0
187.14937	2.2
189.16493	2.2
191.17905	7.3
195.13768	3.6
205.19505	3.2
209.15315	2.1
215.17917	26.8
229.61740	1.6
233.18958	21.9
247.24168	4.7
265.14175	2.8
265.19443	2.5
265.21576	61.5
265.25150	17.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.0356
Annotation	Unknow
Peak:m/z	Relative Intensity
61.39495	0.1
70.32037	0.2
70.32446	0.4
71.08577	0.1
72.39436	0.1
82.99864	0.2
91.07249	0.1
97.88265	0.1
100.99847	0.1
101.00867	1.7
116.98774	0.1
119.01900	9.4
120.02001	0.4
134.98996	0.1
134.99887	0.6
137.02937	2.5
140.98842	0.2
142.03508	0.2
153.00948	0.3
158.03636	0.3
158.99852	0.9
162.03099	0.1
165.99597	0.2
175.02968	0.4
177.00926	19.6
178.01080	0.7
179.01324	0.1
179.95078	0.1
181.99818	0.1
182.99910	0.4
193.04103	0.3
195.01984	0.4
195.94347	0.1
200.02567	0.2
201.00911	1.2
201.02512	0.3
217.01971	0.1
217.04057	2.9
219.01973	23.9
219.94456	0.5
220.02065	1.1
221.02368	0.2
224.06718	0.2
225.00818	2.2
234.00702	0.2
237.03015	0.1
237.95406	0.1
242.03630	0.4
242.96074	0.4
242.99393	0.2
242.99960	0.1
243.01927	7.6
261.03021	100.0
262.03159	1.9
263.03461	0.4
264.39377	0.1
266.00613	0.2
266.03189	0.4
266.07892	1.3
275.04614	0.2
284.04590	3.5
285.04858	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1792
Annotation	Speciosin K
Peak:m/z	Relative Intensity
53.03944	2.1
55.01865	14.0
55.05500	10.7
56.96557	1.7
57.03436	3.2
65.03922	2.8
67.05496	25.8
67.32839	1.4
69.07056	52.5
69.48923	12.5
70.06612	1.7
71.04989	2.0
73.02882	1.5
73.06535	4.7
79.05479	45.6
81.03400	4.9
81.04530	2.4
81.07044	23.6
83.04952	4.6
83.08607	5.3
85.06510	1.9
91.05468	35.2
93.07027	29.2
95.04958	9.2
95.08593	24.2
97.06509	23.3
97.10173	2.6
98.97556	1.6
105.07012	33.4
107.04937	7.2
107.08578	100.0
109.06516	7.2
109.10153	4.6
110.02321	1.8
111.08075	4.2
115.05434	2.0
115.07559	2.8
116.06168	2.0
117.07014	14.1
119.06044	1.4
119.08567	20.3
121.06496	3.4
121.10098	11.7
122.07128	25.0
123.08057	3.3
123.11639	3.4
125.05923	2.6
125.09586	1.7
129.06996	5.2
131.08549	19.9
133.10106	17.1
135.08041	10.8
135.11665	6.9
137.05962	4.7
137.09604	3.9
141.06934	1.9
143.07013	22.6
143.08530	4.8
144.04781	6.8
145.06512	3.6
145.10089	32.7
147.08090	3.4
147.11670	7.1
149.09596	24.3
151.11176	3.8
157.10088	4.4
159.08043	2.1
159.11644	12.8
161.08078	9.0
161.09618	5.4
163.03940	2.1
163.11102	8.1
169.10103	3.6
171.10139	1.9
173.09570	2.3
173.13239	7.1
175.11148	4.5
177.09070	3.0
177.12910	1.6
183.11674	2.0
185.13165	3.5
187.07524	3.1
187.11143	4.5
187.14792	4.8
189.05457	4.4
191.10652	3.4
191.14255	3.4
201.16370	29.1
205.08664	2.6
205.12320	2.2
205.15797	2.2
211.14899	8.2
215.03429	4.6
219.06532	3.0
219.17435	3.6
229.15839	23.4
229.98119	1.4
247.06036	14.0
247.16896	68.9
265.06979	9.0
265.09967	3.0
265.14349	4.1
265.17926	28.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1796
Annotation	12-Oxo-2,3-dinor-10,15-phytodienoic acid
Peak:m/z	Relative Intensity
53.03926	1.1
53.99281	1.0
55.01861	4.8
55.05263	0.9
55.05505	10.2
57.03421	1.3
57.07050	1.8
65.03943	1.1
67.05495	27.5
69.03407	2.3
69.07058	34.9
70.42178	1.9
70.42570	1.8
71.04968	3.4
73.06548	1.1
79.05045	1.4
79.05477	17.9
81.03391	1.9
81.06570	1.8
81.07043	32.2
83.04956	7.6
83.08582	1.9
85.06512	3.5
88.62263	0.8
91.05464	21.3
93.07022	22.2
95.04952	8.0
95.08592	18.4
97.06504	4.3
105.07012	22.5
107.04939	9.1
107.08569	13.9
109.06513	8.1
109.10128	9.6
111.04411	1.0
111.08065	1.8
115.88071	0.8
117.06998	6.4
119.08566	15.0
121.06477	8.5
121.07260	1.2
121.10123	12.6
122.07138	2.0
123.04414	1.1
123.08043	6.6
123.11671	1.8
129.06976	3.1
131.08551	17.4
133.06415	1.2
133.10110	17.1
135.08000	3.8
135.11688	9.6
137.09576	5.9
141.89685	0.9
143.08519	3.2
144.04756	1.3
145.06448	3.3
145.10103	24.9
147.08051	3.4
147.11641	6.6
148.41452	0.9
149.09610	17.6
149.13211	1.6
151.11157	10.3
155.08540	2.2
157.10056	1.7
159.11656	10.3
161.09561	2.9
161.13211	2.8
163.11148	30.0
165.09100	2.4
169.10086	4.2
171.11623	2.1
173.09605	6.9
173.13223	3.5
175.11209	2.2
177.09109	0.9
177.12732	3.3
177.16360	2.9
179.10622	7.6
183.11630	1.9
185.13220	3.4
187.11133	4.5
187.14870	4.9
189.12704	1.8
191.10640	7.5
193.12172	1.0
197.11662	1.5
201.16331	16.0
203.14357	1.5
205.12227	2.8
207.13734	1.2
209.11687	4.7
210.43272	1.1
211.14713	5.3
219.17415	27.7
221.15373	2.0
229.15820	19.7
237.18477	2.0
247.16905	56.2
250.17145	1.0
265.17947	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1794
Annotation	Speciosin K
Peak:m/z	Relative Intensity
52.13511	1.8
53.03926	8.1
55.01629	2.1
55.01865	14.9
55.05296	1.8
55.05498	21.1
57.03405	5.6
57.07052	3.1
65.03910	2.6
67.05489	44.2
69.03422	2.3
69.07056	62.8
70.38759	8.7
71.05003	3.9
73.06532	5.2
79.05051	3.3
79.05480	55.9
81.03374	9.8
81.07041	62.4
83.04971	5.6
83.08607	11.5
85.06517	9.3
91.05457	43.0
93.07027	42.4
95.04961	20.5
95.08033	3.6
95.08587	42.9
97.05919	2.2
97.06517	36.5
105.07013	35.8
107.04916	7.8
107.08574	100.0
109.06493	22.5
109.10133	14.7
111.04430	2.6
111.08052	7.0
115.05440	2.1
115.07536	3.7
117.07008	18.9
119.08574	27.3
121.02842	6.7
121.06470	8.5
121.10124	16.4
122.07133	37.7
123.08039	9.6
123.11687	4.2
125.05984	3.4
125.09557	3.2
129.06993	5.6
130.07767	3.3
131.08545	23.3
133.06442	4.4
133.10106	23.6
135.08040	18.8
135.11649	7.0
137.05942	2.6
137.09593	10.2
141.07001	3.8
143.07022	30.2
143.08507	7.0
144.04785	10.1
145.06415	2.7
145.10106	36.7
147.08035	2.9
147.11647	7.4
149.09590	37.8
151.11203	10.6
155.08510	3.9
157.10054	3.8
159.08060	5.5
159.11644	16.2
161.08055	9.9
161.09555	5.2
161.13147	2.2
163.11113	9.7
165.09052	4.9
169.10086	8.7
173.09529	2.3
173.13216	8.1
177.09073	3.0
177.12659	2.1
183.11627	2.8
185.13217	5.3
187.11153	7.6
187.14771	6.7
201.12636	4.0
201.16377	28.9
201.50591	2.3
205.15796	2.7
211.14777	10.8
219.17413	6.5
229.15868	30.2
237.47050	2.3
247.05954	4.1
247.13162	4.2
247.16905	83.9
265.06830	4.2
265.14816	2.5
265.17929	54.3
265.21133	3.2
265.21954	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	265.1793
Annotation	Speciosin K
Peak:m/z	Relative Intensity
55.01851	7.5
55.05496	20.3
57.03431	17.1
67.05491	30.3
69.07056	34.1
70.28796	6.2
70.29195	6.0
71.04980	8.9
79.05476	49.6
81.03408	4.5
81.04529	4.1
81.07042	51.0
81.07503	3.7
83.04958	5.1
83.08598	6.7
83.82503	2.4
85.06531	6.1
86.17908	2.5
91.05466	56.1
93.07019	52.6
95.04969	14.4
95.08588	27.4
97.06514	14.1
98.21383	4.1
99.08085	4.1
105.07021	45.9
107.04954	5.6
107.08583	55.8
109.06503	16.5
109.10131	11.0
111.08060	4.7
115.92649	2.6
116.06174	2.8
117.07004	19.5
119.08569	33.9
121.10132	13.8
122.07124	26.2
123.08015	4.3
129.06969	11.8
131.08546	44.2
133.10115	48.4
135.08029	12.5
135.11685	6.4
135.27324	2.8
137.09567	11.3
139.11092	3.1
141.07010	3.0
142.07779	4.0
143.07021	12.1
143.08551	4.3
144.04749	8.6
145.06483	3.2
145.10103	34.0
147.08051	4.8
147.11633	24.2
149.09608	21.6
149.98157	2.5
151.11099	4.7
157.10117	28.6
159.08003	3.9
159.11687	11.2
161.09523	3.9
161.13127	4.3
163.07506	4.3
163.11134	12.8
169.10104	6.4
171.11674	3.5
173.09598	3.1
173.13264	17.9
175.07423	4.7
175.11148	40.3
175.12526	3.9
177.12743	3.4
183.11603	4.7
185.13287	7.6
187.11180	4.4
187.14804	9.2
191.14268	12.9
193.08627	7.7
193.12189	16.8
201.16367	18.3
209.11632	3.4
211.14774	11.4
219.17470	5.3
229.15858	40.4
239.22316	2.6
247.05978	6.6
247.13170	4.2
247.16881	100.0
265.06958	4.4
265.17984	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	265.1794
Annotation	Speciosin K
Peak:m/z	Relative Intensity
53.03936	5.8
55.01861	20.3
55.05506	9.2
57.03410	3.9
67.05155	3.2
67.05492	30.2
67.45166	1.9
69.03416	2.5
69.07057	49.7
70.12685	4.8
70.13102	5.8
71.04984	4.1
79.05482	57.2
81.03392	6.8
81.04493	2.3
81.07041	28.0
83.04958	7.0
83.08598	7.6
91.05470	42.9
93.07027	31.9
95.04966	11.6
95.08601	21.2
97.06522	39.1
98.21434	2.5
105.07018	31.6
107.04923	8.5
107.08578	100.0
109.06510	9.8
109.10123	6.2
111.08070	3.2
115.07542	3.2
117.06992	13.2
119.08564	18.5
121.06469	8.5
121.10111	13.2
122.07119	8.5
123.08045	7.6
123.11684	3.0
125.05984	4.4
129.06961	5.7
131.08534	27.0
133.06447	3.2
133.10091	16.8
135.08043	18.0
135.11679	4.6
137.09607	4.8
141.06932	3.5
143.06999	22.0
143.08534	5.4
144.04703	2.3
145.10101	30.3
147.07994	2.5
147.11678	6.0
149.09602	29.7
151.11131	6.2
157.10085	2.3
159.08041	3.5
159.11646	13.1
161.08061	6.7
161.09615	6.0
163.11194	8.2
165.09102	3.0
169.10109	6.4
171.10217	2.0
173.09633	3.5
173.13135	2.3
175.11111	4.0
178.52621	2.0
185.13223	5.7
187.11150	7.5
187.14832	6.8
201.16389	33.8
205.15932	3.9
211.14780	8.9
219.17418	8.4
229.15851	27.2
237.42160	2.1
247.16895	73.8
265.17950	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	265.1792
Annotation	12-Oxo-2,3-dinor-10,15-phytodienoic acid
Peak:m/z	Relative Intensity
53.03926	5.2
55.01848	3.9
55.05496	22.6
55.18248	2.5
57.07061	4.0
57.74862	2.0
65.03909	2.9
67.05490	59.6
69.07056	37.9
71.62870	5.3
73.06538	4.5
79.05479	87.0
81.03400	3.8
81.07039	46.9
82.11163	1.9
82.13626	2.3
82.73192	2.0
83.04974	2.5
83.08618	4.2
91.05460	41.7
93.06465	4.1
93.07029	75.2
93.07616	4.8
95.04936	8.0
95.08586	43.0
96.28364	2.4
97.06508	13.2
105.07016	26.9
107.04947	22.9
107.08571	58.1
109.10128	14.8
111.08061	4.2
115.07535	4.8
117.06990	21.8
119.08559	40.4
121.10142	19.1
122.07143	8.0
124.18464	2.3
125.05955	7.6
129.06956	7.3
131.08549	54.3
133.10106	29.8
135.04440	3.0
135.08044	3.7
135.11658	20.9
139.07527	3.2
141.09071	2.9
143.07010	33.9
143.08159	2.9
143.08609	3.5
144.04733	3.4
145.06421	3.3
145.10098	26.3
147.11652	4.8
149.09592	100.0
149.13184	3.6
156.99501	3.8
157.10098	5.0
159.11653	31.4
161.08061	10.9
163.11174	3.5
165.09067	2.9
169.10095	3.9
173.13248	18.1
185.13188	11.6
187.11174	6.1
201.14566	4.7
201.16351	74.6
209.07048	8.5
211.14798	5.8
229.15846	30.0
239.95102	2.5
247.16888	21.7
265.17877	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	265.1544
Annotation	Val Phe
Peak:m/z	Relative Intensity
50.60164	0.2
52.93079	0.2
53.03948	0.3
54.04470	0.2
55.05505	10.4
56.05033	0.5
56.33493	0.2
57.05812	0.9
57.24470	0.2
57.26859	0.2
69.03427	0.2
69.56600	1.8
70.06577	0.6
72.08147	100.0
73.08453	0.2
78.15226	0.2
79.05505	0.2
84.04502	0.3
84.08138	0.5
86.09696	1.0
91.05459	0.3
93.07076	0.3
98.21445	0.5
101.87216	0.2
103.05481	0.4
105.07030	0.3
105.64397	0.2
119.49897	0.2
120.08089	11.7
120.90086	0.2
122.07162	0.8
129.10242	0.4
131.04924	0.3
144.04764	0.3
166.08614	11.7
183.72574	0.2
188.94943	0.2
219.14964	0.6
265.15433	5.0
265.17972	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1795
Annotation	Speciosin K
Peak:m/z	Relative Intensity
53.03923	2.7
53.35363	2.2
55.01857	5.7
55.05513	15.9
57.03422	2.6
57.07042	3.5
63.80690	2.4
65.03923	3.3
67.05493	29.2
69.03404	6.3
69.07055	18.5
70.06573	3.6
71.04978	5.3
71.62173	2.5
79.05482	35.1
81.03404	5.0
81.04524	7.3
81.07046	100.0
83.04951	4.8
83.08598	7.1
84.08137	3.2
85.06519	3.2
91.05476	27.0
93.07027	34.2
95.04958	9.9
95.08585	41.9
97.06527	8.2
97.10164	3.2
99.08087	2.9
105.07010	22.8
107.04929	9.3
107.08588	25.2
109.06509	15.3
109.10160	13.0
111.08067	5.7
113.05958	2.7
117.07027	12.6
119.08556	34.0
119.47781	2.5
121.02852	2.7
121.06512	5.6
121.10116	15.5
122.07130	56.6
123.08043	9.3
123.11692	3.0
129.06982	7.1
131.08554	19.3
133.10103	12.7
135.08029	20.1
135.11691	5.2
137.05916	2.7
137.09601	16.1
139.11147	5.2
143.08493	5.3
144.04765	11.8
144.67242	3.0
145.06445	2.9
145.10118	17.0
147.08144	4.1
147.11662	6.6
149.09592	14.0
149.13213	4.1
151.07582	2.5
151.11119	3.2
159.11707	10.0
161.05920	2.5
161.09579	3.7
163.11191	5.6
165.09125	7.7
171.11711	5.8
173.09601	6.5
173.13232	8.6
175.11176	2.8
183.11707	3.9
185.13301	3.3
187.11127	4.7
187.14793	5.2
191.10655	6.8
192.48087	2.4
192.49782	2.9
201.12704	2.9
201.16357	7.2
203.20808	3.6
205.08545	4.3
205.15919	3.5
211.14764	5.4
219.13878	4.1
219.17433	5.6
229.15802	17.1
247.16905	71.9
265.06909	4.6
265.14304	7.8
265.17853	23.1
265.22424	4.5
265.25201	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	265.143
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
53.03934	7.5
53.40828	2.0
55.01860	6.5
55.05504	14.2
56.96559	4.3
57.03419	3.8
57.07058	7.6
58.49437	1.9
59.04976	3.7
65.03923	4.0
67.05488	23.7
67.31037	2.0
68.99770	3.4
69.03413	19.3
69.07049	16.4
69.83038	10.3
69.83452	4.1
71.04985	4.6
79.05477	25.4
81.03364	4.8
81.04502	4.5
81.07045	34.5
83.04967	45.0
83.08604	7.3
84.08118	3.2
85.02897	2.2
85.06517	5.4
91.05459	30.2
91.39914	2.2
93.03343	2.4
93.07021	36.0
95.04945	14.9
95.08583	25.3
97.02895	5.9
97.06519	11.7
99.08102	2.0
103.05461	2.1
105.06997	24.9
107.04941	4.9
107.08573	47.2
109.02872	19.1
109.06499	21.1
109.10131	15.4
111.04426	22.1
111.05552	10.1
111.08060	7.7
113.06000	7.7
115.05429	4.5
117.07011	16.4
119.08563	34.1
121.02851	4.2
121.06474	37.3
121.10122	12.8
121.10889	2.6
122.07127	38.8
123.08050	13.2
123.11671	6.6
125.05957	3.0
125.09605	4.1
127.07532	2.3
128.06253	3.4
129.07031	4.7
131.08546	26.8
133.06500	2.5
133.10103	18.7
135.08034	81.5
135.11665	6.8
137.05971	7.0
137.09579	7.3
139.03932	3.5
143.08559	8.2
144.04759	10.7
144.09322	7.7
145.06456	13.8
145.10097	23.1
147.08012	8.7
147.11613	2.9
149.05962	6.4
149.09590	30.7
149.13269	2.5
150.10323	3.6
151.07541	6.2
151.11201	2.7
153.09097	8.7
155.08524	3.5
157.10098	4.9
158.10855	10.8
159.08090	10.4
159.11653	30.9
160.08823	5.8
161.09605	9.8
163.07504	47.3
163.11134	18.1
165.09102	6.2
168.09447	2.6
169.10085	2.6
170.10825	5.9
171.07994	5.5
172.08795	10.8
173.05934	4.1
173.09615	14.6
173.13216	36.2
175.11169	2.5
177.12714	6.6
183.11662	6.6
185.13177	5.2
186.10356	17.9
187.11148	72.4
188.11597	2.7
189.09135	3.8
189.12840	3.7
191.06999	23.1
191.08588	3.3
191.10716	3.4
191.14313	3.6
201.10835	3.3
201.12706	62.1
201.16356	5.0
203.14131	3.2
205.12204	22.2
209.08057	7.9
211.11157	12.2
214.09798	2.8
218.07217	2.6
219.08011	2.6
219.13771	22.7
219.17169	2.3
229.12183	70.4
229.15907	7.6
234.10370	3.6
235.07642	2.6
247.13246	100.0
247.16891	16.1
248.13567	2.5
265.12067	5.1
265.14578	9.9
265.18185	12.4
265.21790	2.4
265.25040	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	265.1431
Annotation	Zedoarofuran
Peak:m/z	Relative Intensity
55.01847	2.1
55.05489	3.5
57.03424	2.1
57.07056	0.7
59.04995	1.4
62.09238	0.8
65.03927	0.8
67.05491	7.9
69.03426	1.1
69.07056	7.0
70.06557	0.8
71.04983	0.8
71.62440	1.0
74.80341	0.7
79.05489	9.5
81.03412	1.3
81.04527	1.6
81.07047	9.2
83.04954	1.9
83.08616	1.9
84.08151	0.9
85.06539	1.4
91.05476	8.7
93.07024	6.0
95.04942	2.7
95.08589	8.1
96.36021	0.8
97.06539	3.7
97.10152	0.9
105.06448	0.9
105.07027	8.0
107.04955	0.9
107.08586	12.7
109.06503	3.4
109.10131	2.4
110.07167	0.9
111.08057	1.2
115.05444	2.3
116.45786	0.7
117.06960	4.7
119.08579	7.6
121.06512	1.6
121.10126	2.9
122.07133	8.1
123.08053	1.7
123.11719	0.9
125.05978	0.9
129.06984	1.8
131.08505	6.3
133.06583	0.8
133.10104	4.9
135.08041	17.8
135.11658	1.4
137.09604	2.3
142.96741	0.8
143.07025	2.0
143.08553	1.1
144.04755	3.0
145.06459	6.2
145.10112	6.9
147.08017	3.3
147.11630	1.5
148.05170	3.3
149.05930	0.8
149.09621	5.7
157.10077	2.1
159.08076	1.6
159.11671	2.6
161.05966	2.2
161.09549	1.0
163.06265	1.4
163.07538	19.6
163.11139	2.6
169.10143	1.1
173.13197	1.4
175.03955	3.6
175.07527	25.1
175.11159	3.1
177.09096	5.9
177.12692	5.7
185.13293	1.0
187.07535	1.3
187.11136	1.1
187.14706	1.1
189.05504	2.3
189.09062	3.0
190.06235	3.6
190.09854	3.6
191.06978	3.8
191.14268	2.1
193.06808	1.6
193.08583	32.3
193.12234	1.5
201.12680	1.2
201.16415	4.8
203.06992	1.1
203.10521	1.6
205.08580	50.5
205.12195	33.4
205.14153	1.1
211.14868	1.7
215.03400	2.0
219.06451	2.3
219.13789	1.9
219.17400	1.9
229.12245	9.0
229.15718	3.9
242.22774	1.0
247.06064	7.1
247.13280	100.0
247.16858	12.1
248.13600	1.8
265.07043	3.3
265.14310	18.8
265.17950	7.5
265.22318	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.143
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
53.03929	4.0
55.05504	17.2
57.03428	3.5
62.80983	4.0
65.03935	6.8
67.05488	23.1
69.03416	29.1
69.07040	7.0
70.05231	3.1
70.80552	6.8
71.04983	10.0
72.08142	13.8
79.05474	21.6
81.03419	5.4
81.07055	16.0
83.04964	7.2
85.02880	5.7
86.09690	7.5
91.05463	46.4
93.07016	40.0
95.04955	32.0
95.08602	23.2
97.02866	4.9
97.06519	7.1
99.04433	5.0
105.07007	69.8
107.04957	6.1
107.08556	19.9
109.02853	3.7
109.06506	32.2
109.10162	7.0
111.04416	24.2
111.08061	8.0
113.06017	16.7
115.05462	8.1
117.06999	23.3
119.04916	4.5
119.08567	89.2
119.09432	4.4
119.17039	3.7
120.08087	5.6
121.02846	9.9
121.06480	57.3
121.10133	12.3
122.07135	17.9
123.08044	22.2
125.09673	4.2
128.06197	5.6
129.07013	15.1
130.09149	4.2
131.08543	41.6
133.06468	13.4
133.10149	17.1
135.08029	75.4
137.05960	6.8
137.09605	15.9
137.13158	3.7
139.03894	13.3
139.07561	7.9
141.06996	6.6
142.07765	8.2
143.08546	16.1
144.09372	11.0
145.06477	16.6
145.10101	34.7
147.04353	4.1
147.08026	36.9
147.11729	15.4
149.06004	7.2
149.09610	14.7
155.08521	5.9
156.09279	6.3
157.06467	7.4
157.10133	20.9
158.07257	21.3
158.10922	4.2
159.08028	39.0
159.11682	38.7
160.08853	4.6
161.09605	37.9
161.13257	6.6
163.07480	5.7
165.09064	24.1
168.09340	8.2
169.10139	3.4
171.04376	6.1
171.08055	4.6
171.11655	9.6
172.08784	20.5
173.05972	13.9
173.09615	20.2
173.13245	20.2
173.70618	4.1
175.07521	75.5
175.11121	36.4
177.05501	3.7
177.09175	4.9
177.12794	4.4
181.06548	4.0
183.11687	10.1
185.09592	7.6
186.10400	7.4
187.11169	54.6
188.04643	28.7
189.09081	13.5
189.12698	17.8
193.08588	21.0
193.10092	3.5
196.08846	10.9
199.11166	13.8
201.05397	32.1
201.12714	36.3
203.07007	3.6
203.10632	54.0
205.04936	4.4
205.12207	7.4
207.10028	3.9
211.11143	19.0
214.02634	7.6
217.12247	25.0
219.06566	12.9
219.13770	10.2
221.11763	4.0
222.06874	3.7
229.04982	12.3
229.12170	27.8
232.03778	4.9
235.13277	7.7
247.05963	51.8
247.13245	61.6
248.06429	3.7
265.08499	4.8
265.14276	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	264.159
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05022	1.2
56.96569	0.4
61.01135	0.4
62.86813	0.3
70.06580	3.0
70.75788	0.4
70.76173	0.6
71.42616	0.2
72.08138	1.5
74.06062	0.2
81.03411	0.3
84.04498	0.6
84.08128	32.6
85.02896	0.8
86.09691	1.6
87.10014	0.4
88.61485	0.2
91.05473	0.3
97.02883	0.5
97.64436	0.2
103.05462	0.3
104.05331	0.6
105.05662	0.4
105.06992	0.3
107.04955	0.3
110.07197	0.3
110.29160	0.2
112.08677	0.3
116.07075	0.3
116.98622	0.4
117.63960	0.2
120.08086	4.4
121.02821	0.4
121.06458	0.4
122.07131	0.8
127.03957	0.3
128.10692	100.0
129.10190	0.5
129.11057	0.5
134.09615	0.8
145.06529	0.2
163.03893	0.6
205.08409	0.3
208.06845	0.5
234.99008	0.3
249.43597	0.3
251.09189	0.4
264.12448	0.9
264.15909	9.9
265.15170	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1115
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66544	0.2
53.74977	0.1
54.03457	0.4
54.28102	0.2
55.01869	0.7
55.05506	0.6
56.05035	1.3
56.96559	2.9
57.03432	1.5
57.07066	0.2
58.03769	0.2
61.01148	1.1
61.02919	1.1
67.05492	0.3
69.03422	2.8
69.07047	0.2
70.06588	2.5
70.98091	0.2
71.04987	0.5
71.61635	0.3
72.08150	1.7
73.02910	2.0
74.06087	0.4
74.97588	0.2
77.00893	0.3
79.05481	0.2
79.78401	0.2
80.05011	0.7
81.03459	0.9
81.04532	10.4
81.07069	0.3
81.23120	0.2
82.92890	0.5
83.04966	0.3
84.04494	0.7
84.08131	2.4
84.96024	0.5
85.02897	5.7
85.06548	0.3
86.03246	0.3
86.09698	1.8
87.04444	0.3
88.03984	0.2
89.03929	0.2
90.01529	0.2
91.03924	0.2
91.05454	0.3
93.07047	0.2
95.06040	0.3
95.53196	0.1
97.02877	2.7
98.06031	0.4
98.97580	1.5
99.04460	0.4
99.06341	0.3
101.00859	2.0
102.05539	0.3
103.00623	1.8
104.05325	2.2
104.10717	0.4
105.83820	0.2
106.02741	0.4
107.00087	0.2
107.04935	0.3
109.02867	0.7
110.01257	0.3
110.07159	0.5
110.97544	0.4
112.08732	0.2
112.99132	0.8
113.00944	0.2
113.02932	0.4
115.00608	0.3
115.02409	0.4
116.07052	0.4
116.98576	1.2
117.02010	0.2
117.03367	0.2
119.00170	0.2
119.01904	6.8
120.02000	0.8
120.08095	0.4
121.01658	7.7
122.07137	100.0
123.07478	0.3
123.95486	2.4
126.03732	0.9
127.03906	2.3
128.02309	0.5
128.04208	0.3
128.98587	0.6
129.10242	1.2
130.08623	0.2
131.00171	1.8
131.01877	1.4
132.02014	0.5
133.01617	3.6
133.03349	1.3
134.99649	0.8
135.03186	0.4
135.04370	0.5
136.06151	0.6
136.07536	0.2
137.02937	1.6
138.53435	0.2
139.01587	0.3
139.02655	1.3
141.96535	1.1
142.03484	0.3
143.00182	0.2
143.01889	1.6
144.04765	25.4
144.98071	0.2
145.01599	6.9
145.03381	1.5
145.04942	0.9
146.99640	0.8
147.03172	0.6
147.04422	0.7
149.01198	2.7
149.02954	0.4
150.05621	0.7
151.02643	0.8
154.03822	0.2
155.01897	0.3
155.04663	0.3
156.02029	0.3
157.01584	1.4
157.03455	3.4
158.99637	0.5
159.03148	0.8
161.01384	0.3
161.02940	3.6
162.03096	1.4
162.99059	0.6
163.02652	19.6
163.03764	1.8
164.98341	0.3
165.00761	0.4
165.05916	0.2
166.03851	0.2
167.02171	0.6
169.01637	0.2
169.03442	0.2
170.03419	0.2
171.01440	0.2
171.03180	0.2
171.07695	0.2
173.02945	1.3
174.03067	0.5
174.04558	0.3
174.54643	0.2
174.98921	0.2
175.02705	5.9
175.04468	3.2
177.00681	0.6
177.02231	0.2
177.04295	0.5
178.04893	0.2
181.00146	0.2
181.03693	1.0
181.05457	0.2
183.05060	0.5
183.55075	0.8
184.03069	1.4
184.04871	1.8
184.55058	0.2
185.02913	0.6
186.04465	0.9
187.00897	0.3
187.02701	1.4
187.04335	0.4
189.00746	0.4
189.02412	0.2
191.03897	0.7
192.04048	0.2
192.55605	0.2
193.00256	0.3
193.03737	4.2
193.05302	0.4
195.55389	0.2
198.04443	0.4
199.02779	0.4
200.04419	0.4
201.00700	0.4
201.04353	0.3
201.12439	0.3
203.02269	0.3
203.04015	0.5
203.05724	0.2
204.04301	0.4
205.00238	0.7
205.03741	6.0
205.05568	0.7
209.05167	0.2
211.04836	0.5
217.03690	0.4
218.94473	0.3
218.98009	0.3
219.01724	0.6
219.07245	0.2
221.05042	0.3
223.01285	1.1
223.04791	1.1
223.06702	1.8
235.04845	0.7
236.95416	0.2
237.02814	0.3
241.05623	0.3
241.07809	1.1
242.05167	0.3
245.05002	0.9
246.05260	0.8
247.01164	1.0
247.04573	1.2
247.07013	0.2
261.03012	0.2
265.01755	0.6
265.05634	5.2
265.07706	9.4
265.11218	2.2
265.13968	0.3
266.03412	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	264.0539
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96557	100.0
60.24857	0.7
66.58109	0.8
70.06589	1.1
71.61754	1.5
71.95261	0.9
72.08154	0.9
72.96027	3.4
74.97592	1.6
83.97623	1.6
84.04468	1.6
84.08118	2.5
85.02886	1.6
85.21903	0.7
86.09729	1.3
88.51873	0.8
97.02854	1.1
97.99150	1.0
98.97564	13.0
116.02634	0.8
116.98595	9.0
120.08067	2.5
122.07130	1.5
134.99629	6.6
144.96841	1.2
147.04399	1.2
153.00706	1.0
165.02182	1.8
167.03752	2.5
169.01595	1.0
176.02309	0.5
176.03795	15.5
178.05371	17.1
181.01662	2.8
183.03297	6.6
183.04820	1.3
192.03366	3.5
194.04875	8.1
195.03256	1.1
196.04781	1.3
196.06436	15.8
197.01193	1.0
201.04333	9.7
202.10777	1.8
204.03229	5.5
208.02785	6.0
210.04352	2.4
219.03406	1.1
219.05457	1.4
219.95914	0.8
222.04347	86.1
226.03864	5.3
237.02815	1.0
240.05399	86.9
245.05988	4.6
263.06888	2.6
264.05386	37.2
264.15869	2.5
282.06088	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2365
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
52.52806	0.9
53.03941	1.3
55.01869	0.9
55.05258	1.0
55.05505	15.6
57.03417	2.7
57.07068	11.2
57.21140	0.9
65.03941	2.2
67.05495	85.0
69.06713	1.4
69.07053	16.7
70.80846	2.5
71.04977	1.7
71.08633	7.6
74.81145	0.7
79.05481	23.4
81.07043	100.0
83.04967	1.5
83.08598	15.1
83.21924	0.8
85.06512	3.5
85.10191	3.9
91.05470	16.1
91.33129	0.9
93.06461	1.6
93.07030	25.2
95.04946	1.4
95.08592	89.2
95.63551	0.8
96.08950	0.9
97.06516	5.9
97.10155	5.9
99.08076	5.5
105.07013	10.9
107.07854	1.0
107.08582	15.5
109.06509	1.0
109.10139	44.2
111.08073	5.0
112.54860	0.7
113.09637	1.9
119.08572	11.1
119.09347	1.4
121.06362	0.9
121.10126	18.1
123.08051	3.3
123.11689	22.1
125.09591	1.4
127.11160	2.4
133.10114	14.1
135.11676	10.8
137.09586	2.2
137.13219	10.4
141.12738	2.7
147.11664	12.0
149.13214	10.0
151.14807	9.2
151.58295	0.8
153.12747	0.9
155.14262	2.6
161.05946	2.8
161.13254	10.4
163.14795	9.4
165.16370	9.1
167.14316	1.3
175.14772	7.9
177.16258	1.0
179.17911	4.7
181.15900	2.0
183.57037	0.8
189.05438	7.6
189.16386	4.1
203.17885	1.7
207.06505	26.3
208.06870	0.9
217.19371	0.9
219.20908	0.9
245.11594	1.3
245.22620	38.5
263.12741	7.5
263.17877	2.6
263.23666	93.9
264.13022	1.6
264.24020	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2366
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
53.03933	1.1
55.01849	1.4
55.05252	1.1
55.05506	14.9
57.03432	1.9
57.07069	8.1
65.03934	2.2
67.05497	93.2
69.07062	18.7
69.07446	0.7
71.04984	1.3
71.08049	1.0
71.08638	6.6
77.03926	0.6
79.05479	23.1
81.07047	100.0
82.07395	0.8
83.04974	2.1
83.08614	13.1
85.06534	3.4
85.10177	1.6
91.05471	17.3
93.07034	25.4
93.07619	1.4
95.04995	2.9
95.08597	81.1
97.06522	6.2
97.10171	7.0
99.08072	4.4
105.07017	11.5
107.08582	13.5
107.09282	1.0
109.06522	0.8
109.10142	37.6
111.08080	3.7
111.11724	1.6
113.09628	2.4
119.08565	11.4
121.10128	15.3
123.08076	2.2
123.11693	18.9
125.09644	1.1
127.11223	1.1
131.08586	0.8
133.10117	13.2
135.11684	7.1
137.09605	2.2
137.13242	7.8
139.11151	1.3
141.12738	2.1
147.11667	9.5
148.10811	0.8
149.13231	7.4
151.11191	1.0
151.14815	5.8
153.12726	1.0
155.14293	1.5
161.13240	9.7
163.14795	6.8
165.12764	0.6
165.16350	6.1
166.34758	0.6
175.14822	7.3
177.16344	1.4
179.17940	3.3
189.05496	2.0
189.16331	2.6
193.15897	1.3
199.11548	0.6
203.17821	0.9
207.06520	5.0
207.17407	0.7
216.32193	0.9
217.19524	0.7
245.22649	28.0
246.22859	0.8
263.12775	2.4
263.23676	80.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2365
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50465	1.0
53.03931	2.9
55.01867	7.9
55.05500	15.8
55.21088	1.1
57.03421	2.7
57.07069	15.2
65.03909	3.1
67.05493	92.5
69.06715	1.5
69.07059	18.8
69.45213	10.6
71.04985	1.8
71.08622	7.6
79.05478	24.3
81.07043	98.3
82.07361	1.1
83.04964	16.7
83.08605	14.4
85.06524	4.0
85.10160	4.7
91.05458	17.8
91.60455	1.1
93.07028	26.8
95.04971	2.5
95.08590	92.6
97.06517	14.0
97.10166	6.4
98.20746	2.7
99.08092	3.9
105.07021	13.9
107.08566	19.5
109.06487	1.6
109.10139	50.9
111.03688	2.3
111.04424	36.7
111.08049	4.9
111.11701	1.7
113.09633	1.8
119.08563	14.5
121.10120	18.8
123.08031	3.9
123.11691	22.0
125.09630	1.8
127.11166	1.4
131.08560	1.6
133.06479	2.0
133.10103	14.8
135.11658	11.1
137.09569	2.9
137.13240	8.9
140.54292	1.2
141.12674	2.3
147.08078	1.2
147.11658	13.5
149.13254	8.3
151.14758	7.8
155.14281	1.7
161.06012	5.5
161.13268	11.4
163.14807	8.6
165.12660	1.5
165.16383	10.1
175.14813	9.0
177.16353	1.6
179.17937	6.0
189.05446	13.5
189.16339	5.1
197.63977	1.2
207.04529	1.9
207.06497	36.3
208.06914	1.6
217.19476	2.7
219.21257	1.8
245.11708	2.1
245.22614	39.8
263.12744	16.6
263.20160	3.7
263.23663	100.0
264.23932	2.1
267.67117	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2364
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
53.03927	1.6
53.60976	1.0
55.01832	1.2
55.05256	1.0
55.05500	14.4
55.96787	0.8
57.03419	1.8
57.07066	11.1
60.39474	0.8
65.03918	3.4
66.45569	0.7
67.05494	85.1
69.06709	1.3
69.07054	16.2
69.48198	7.8
71.04977	0.9
71.08617	6.2
79.05471	19.1
79.64022	0.8
81.07043	100.0
83.04971	2.2
83.08608	14.5
85.06511	4.7
85.10163	2.3
91.05466	15.3
93.07034	20.8
95.04952	1.2
95.08592	85.9
97.06509	7.2
97.10152	6.1
99.08060	5.6
105.07017	12.4
107.08582	13.8
109.06497	1.7
109.10138	45.8
111.08083	5.4
111.11681	1.7
113.09622	2.6
119.08570	10.0
121.10118	19.8
123.08059	2.1
123.11683	19.0
124.90459	1.0
125.09620	1.2
127.11158	2.3
133.10110	14.1
135.11667	10.4
137.09622	2.6
137.13234	9.4
139.11198	1.2
141.12704	2.2
147.11656	9.3
149.13240	8.7
151.14804	7.0
155.14264	1.2
155.22772	0.9
161.05983	2.9
161.13229	10.9
163.14789	9.4
165.12749	1.4
165.16350	10.5
175.14793	8.1
177.16313	1.4
179.17935	4.0
189.05429	9.1
189.16376	2.8
203.17889	1.2
207.06494	27.2
207.17375	1.3
245.11661	1.9
245.22612	36.4
246.22955	1.3
247.11496	1.4
263.12399	9.3
263.14792	4.5
263.23648	99.8
264.24057	2.6
270.62878	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2365
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98299	0.7
53.03935	2.2
55.01859	1.3
55.05259	0.8
55.05503	14.3
57.03412	1.3
57.07061	9.2
65.03917	2.3
67.05492	85.5
69.03410	0.9
69.07056	16.0
69.36525	1.8
69.36923	6.5
71.04975	1.5
71.08612	8.1
79.05479	22.8
81.07040	95.7
83.04971	2.1
83.08601	13.5
85.06538	4.1
85.10143	2.6
91.05459	17.4
93.06460	1.6
93.07026	23.9
95.04935	2.3
95.08588	84.2
97.06505	9.0
97.10152	7.1
97.18407	0.8
99.08078	6.0
104.79120	0.7
105.07010	11.7
107.08573	15.1
109.06493	2.1
109.10136	45.5
110.09485	0.8
111.08066	6.1
111.11672	1.7
113.09614	3.4
119.08550	11.2
121.10123	16.6
123.08039	2.8
123.11681	20.8
125.09671	1.0
125.13234	1.1
127.11190	1.9
131.08534	0.9
133.10110	15.7
135.11676	9.6
137.09573	2.6
137.13240	7.9
141.12686	2.7
147.11650	11.0
149.13239	9.1
151.11174	1.3
151.14793	8.4
153.12735	0.7
155.14256	2.2
161.05957	1.9
161.13229	10.4
163.03731	0.9
163.14775	8.1
165.16344	10.0
175.14789	9.1
177.16354	2.7
179.17940	4.6
181.15839	1.2
189.05460	6.5
189.16306	3.7
203.17975	1.0
207.06477	19.3
207.17451	1.8
217.19435	1.6
219.21016	1.1
240.85796	0.8
245.11720	1.1
245.22610	39.7
263.12576	6.3
263.23645	100.0
264.24081	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	263.2367
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
53.03924	2.1
55.01846	1.7
55.05264	1.2
55.05504	17.8
57.03411	2.7
57.07063	9.6
60.30263	1.0
65.03918	2.2
67.05495	93.3
69.06714	1.6
69.07053	21.7
69.70584	1.8
69.70992	5.3
71.04977	1.0
71.08617	5.1
79.05480	23.3
81.07044	100.0
83.04961	1.8
83.08609	15.5
85.06522	3.2
85.10192	1.9
91.05465	17.1
93.07030	26.3
95.04970	1.4
95.08592	86.4
97.06497	8.3
97.10153	7.9
99.08064	5.5
105.07018	11.2
107.08573	13.3
109.06478	1.3
109.10141	38.9
111.08074	4.7
111.11687	2.3
113.09631	3.2
119.08559	10.9
121.10122	16.7
123.08041	2.2
123.11681	23.2
124.91187	1.1
125.09587	2.7
127.11179	1.5
131.08514	1.4
133.10100	13.4
135.11662	7.9
137.09596	1.6
137.13239	7.4
141.12715	2.1
143.08495	1.2
147.11656	9.8
149.13223	8.0
151.11147	1.3
151.14793	6.6
153.12689	1.4
155.14241	1.7
157.10225	1.0
161.05986	1.9
161.13234	10.2
163.14824	7.3
165.16393	5.0
175.14818	7.5
177.16399	2.2
179.14040	0.9
179.17926	3.2
189.05458	6.4
189.16347	3.2
193.15826	1.5
207.06516	11.7
208.06841	1.1
223.09135	1.1
245.20406	2.1
245.22673	26.2
263.12714	4.1
263.23660	97.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1274
Annotation	Parthenin
Peak:m/z	Relative Intensity
68.80336	0.2
69.58978	0.2
69.72000	1.8
79.05457	0.3
92.88656	0.2
105.06999	1.2
115.05444	0.4
133.06436	1.2
135.04401	0.8
147.04329	0.4
161.05959	9.4
163.03876	2.1
189.05447	29.1
207.06502	100.0
208.06876	0.7
263.12753	28.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1384
Annotation	L-phenylalanyl-L-proline
Peak:m/z	Relative Intensity
55.01861	0.6
55.05507	0.4
58.99577	0.3
61.01128	0.3
67.05492	0.9
68.05008	0.4
69.07035	0.4
69.54583	0.9
69.55000	1.7
70.06583	32.4
79.05485	1.2
81.07047	3.8
84.04491	0.3
84.08121	1.0
85.02885	0.8
86.09708	1.9
91.05455	1.3
93.07034	2.5
95.08588	3.5
97.02876	0.3
97.06508	3.5
98.06065	0.6
98.20659	0.3
98.55537	0.3
103.05454	5.7
105.06993	0.7
107.04926	0.8
107.08561	0.3
109.59741	0.3
116.07077	85.1
120.08088	100.0
121.08432	0.4
123.08055	3.9
131.04933	0.5
136.07639	0.4
141.09103	3.1
143.08540	0.4
155.34795	0.3
179.03294	0.7
181.45387	0.3
189.05421	0.5
199.07771	0.4
207.06468	2.2
215.14240	0.3
234.93762	0.3
245.13116	0.4
263.09424	1.3
263.13907	23.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.142
Annotation	H-Ile-Met-OH
Peak:m/z	Relative Intensity
54.18447	0.4
55.01859	0.9
55.05501	0.6
56.05029	4.7
56.96543	0.5
58.85462	0.5
61.01132	2.5
67.05487	1.0
67.23615	0.4
69.03440	0.6
69.07053	1.4
69.88605	1.8
69.89016	1.0
70.06582	4.9
71.08595	0.4
72.08125	0.9
72.93737	0.5
74.06055	2.0
75.81991	0.5
79.05475	0.6
81.07050	1.3
81.59186	0.5
84.04489	1.5
84.08130	5.5
86.09692	100.0
87.10020	1.0
91.05468	1.5
93.07011	0.8
95.04966	0.5
95.08574	1.3
97.02866	0.5
97.06519	0.7
102.05556	1.3
104.05312	9.3
109.02918	0.5
110.07146	0.8
113.05976	0.5
120.08090	1.9
123.08073	0.5
124.11217	0.9
128.10703	4.8
129.10229	1.3
130.05019	1.4
132.10124	0.6
133.03162	3.8
136.07515	0.5
143.08542	0.5
147.08072	0.5
150.05815	16.4
152.07051	0.6
161.02945	1.7
161.05992	1.3
169.13339	2.7
172.07590	0.4
172.11444	0.7
173.03017	0.5
175.07225	0.5
189.05435	2.6
189.07234	0.4
207.06514	8.0
207.08388	0.7
215.14020	1.7
217.13736	2.0
235.10741	0.8
242.49127	0.6
245.11749	0.5
263.05951	0.7
263.09488	1.2
263.14438	10.4
263.17163	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.016
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52155	8.8
69.55305	15.2
69.55715	59.9
71.03832	7.8
71.65199	7.8
108.43275	8.6
116.36004	8.0
121.44381	8.8
146.83553	8.8
176.33849	8.9
180.89209	8.6
191.31230	9.3
263.01627	100.0
266.04721	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	262.2372
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	3.1
56.05026	1.7
57.07047	0.4
58.06591	1.2
62.06075	1.0
67.05470	0.5
67.99965	0.2
69.07063	2.0
69.96593	1.1
69.97009	0.4
70.06557	0.7
71.08582	0.3
73.24657	0.2
74.06065	6.1
79.05430	0.3
81.07016	0.5
83.08214	0.2
83.08607	2.4
84.08102	0.8
88.07587	0.7
95.08578	0.5
97.10128	0.8
98.09647	0.6
100.07575	0.2
112.11193	0.2
116.25633	0.2
149.41554	0.2
156.17448	0.5
169.09982	0.2
182.18987	1.3
198.09938	0.7
200.20055	100.0
201.20424	1.4
207.06477	0.3
214.05730	0.2
216.11006	0.6
226.09439	0.9
229.08215	0.5
244.10471	2.9
244.22681	6.3
262.11560	3.7
262.23730	11.2
263.16211	0.3
263.23965	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	262.2161
Annotation	Cryptophorine
Peak:m/z	Relative Intensity
55.20025	0.2
57.07040	0.3
67.05486	0.3
69.37569	2.1
70.06573	0.4
74.14532	0.2
79.05484	0.2
91.05469	0.3
92.05003	0.3
93.05742	0.3
93.07011	0.5
105.07011	0.6
106.06544	0.4
111.93092	0.2
116.05251	0.2
118.06523	8.0
119.07311	5.9
120.08116	1.5
121.10128	0.4
122.10462	0.3
132.08057	1.0
142.22932	0.2
146.09673	0.3
157.06422	0.6
162.09116	10.1
163.09904	3.7
175.07451	0.3
176.10683	0.6
179.99574	0.2
189.05437	0.8
192.93709	0.7
200.20012	0.6
203.06975	1.3
204.07745	0.3
207.06494	0.7
217.08530	0.3
218.19003	22.0
219.19341	0.5
244.20531	0.4
247.05872	0.4
261.96921	0.4
262.08679	1.5
262.21606	100.0
263.08643	0.4
263.12891	0.5
263.16348	0.4
263.21936	2.4
276.18286	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2208
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
51.02368	0.5
53.03935	1.5
55.01854	0.6
55.05499	7.5
57.03419	1.0
57.07068	3.0
57.14576	0.3
65.03920	1.1
67.05492	25.6
69.03420	0.7
69.07054	7.5
69.66582	0.3
71.04980	1.8
71.08625	0.6
71.63633	0.6
77.03896	0.5
79.05477	34.5
80.17735	0.3
81.07040	30.4
83.04958	1.0
83.08606	4.7
85.06534	2.2
91.05462	15.9
91.68698	0.3
93.07024	50.3
94.07378	0.4
95.04950	2.9
95.08588	24.6
97.06500	2.2
97.10120	1.7
99.08083	2.0
105.04486	0.7
105.07010	12.9
107.04916	0.4
107.08572	31.5
108.08919	0.5
109.06491	1.5
109.10130	11.4
111.08066	2.1
111.11723	0.4
113.09628	0.5
117.07007	4.1
119.08553	10.0
120.09078	0.3
121.06406	0.5
121.10117	29.4
122.10498	0.4
123.08015	0.9
123.11688	3.8
125.09615	0.7
127.11168	0.5
130.07762	0.3
131.07561	0.6
131.08542	9.2
133.10104	9.0
135.08008	0.4
135.11664	25.3
136.12054	0.4
137.09581	1.0
137.13237	1.3
139.11127	0.7
145.10100	9.6
147.11661	7.9
147.12778	0.6
149.09679	0.5
149.12025	0.9
149.13226	18.5
151.11159	1.0
151.14819	0.5
153.12715	0.9
157.09976	0.3
159.11670	8.4
161.13232	7.7
162.13594	0.4
163.11128	0.4
163.14789	12.2
165.12674	1.1
173.13234	7.2
175.14780	3.5
177.12733	0.5
177.16356	3.4
179.14278	1.0
187.14804	5.1
189.16353	0.5
191.14238	0.6
201.16324	2.6
205.15901	0.6
215.17928	0.9
217.19585	0.6
219.17436	0.8
229.09351	0.3
233.19073	0.4
233.22588	0.8
243.10033	0.5
243.21040	20.9
244.21346	0.7
261.22083	100.0
262.14264	0.7
262.22360	2.9
273.00189	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2209
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	2.0
55.05501	9.3
57.03423	1.3
57.07066	3.0
57.59692	0.7
59.04981	0.6
65.03931	1.3
67.05492	28.7
69.07052	8.8
69.50729	0.8
69.51128	4.3
71.04976	1.5
71.08617	0.6
73.48187	0.6
79.05480	32.7
81.07046	33.7
82.69279	0.6
83.04971	1.1
83.08600	5.7
83.28907	0.6
84.04482	0.7
85.06519	2.2
85.10187	0.7
91.05460	18.0
93.07027	52.5
95.04957	3.8
95.08591	24.6
97.06519	2.2
97.10148	2.1
98.21571	0.8
99.08073	2.3
105.07011	11.7
107.08574	30.7
109.06490	1.6
109.10141	12.5
111.08057	1.8
117.07005	4.3
119.08558	10.6
121.10122	32.3
123.08024	1.7
123.11687	3.6
125.09666	0.9
129.47232	0.6
131.08546	9.7
133.10107	11.5
135.08047	0.8
135.11665	23.8
137.09615	1.4
137.13216	1.3
137.28984	0.6
145.10094	9.6
147.11674	10.4
149.13231	20.4
151.11139	0.9
153.12749	1.1
159.11682	8.0
161.13225	9.2
163.14798	13.3
165.12720	0.9
173.13242	8.3
175.14786	3.9
177.16382	3.1
179.14261	1.0
187.14780	4.8
189.16399	0.7
199.41907	0.6
201.16490	3.3
203.17638	0.6
215.17773	0.9
217.19479	0.9
243.10081	0.6
243.21048	22.1
250.73656	0.7
261.11111	1.5
261.22098	100.0
262.14380	2.0
262.22485	2.5
273.62769	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2209
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.6
55.01872	0.6
55.05500	8.3
57.03422	1.2
57.07057	2.6
59.05006	0.4
65.03928	1.1
67.05494	26.4
69.07053	7.7
70.68627	1.1
70.68963	0.4
71.04982	1.4
71.08611	1.1
77.03954	0.4
79.05479	34.9
81.03395	0.4
81.07042	30.9
83.04977	0.8
83.08602	4.9
85.06538	2.2
85.10184	0.4
91.05463	16.7
93.07028	48.7
94.07355	0.5
95.04945	2.7
95.08591	22.4
97.06527	2.3
97.10149	1.7
99.08070	2.4
103.05453	0.3
105.04492	0.5
105.07014	11.7
105.15455	0.3
107.04947	0.3
107.08575	32.9
108.08909	0.5
109.06506	1.1
109.10139	10.7
111.08069	1.5
111.11716	0.5
113.09631	0.9
117.06997	4.1
119.06039	0.3
119.08559	10.7
121.10123	29.2
123.08035	0.7
123.11695	3.6
125.09635	0.5
129.06998	0.5
131.08545	9.0
131.09499	0.6
133.10106	9.9
133.11066	0.6
135.11670	25.6
136.12001	0.4
137.09599	1.1
137.13266	0.9
137.54660	0.3
139.11151	0.3
143.08481	0.4
145.10103	9.3
145.16769	0.3
147.11653	8.5
149.09579	0.5
149.13234	20.6
151.11140	0.9
151.14738	0.6
153.12738	0.8
159.11674	7.6
161.13222	9.3
163.14798	14.3
165.12746	0.7
173.13229	7.1
175.14793	3.1
177.16364	4.0
179.14267	1.2
187.14784	5.5
189.16406	0.9
191.14154	0.3
198.04012	0.3
201.14786	0.3
201.16348	1.9
203.17982	0.4
205.15887	0.6
215.17929	1.2
217.19547	0.4
219.17432	0.5
233.22647	1.0
241.90395	0.3
243.21053	23.5
244.21375	0.6
261.22092	100.0
262.22409	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	261.2209
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
50.79119	0.3
51.02377	0.3
53.03931	1.4
55.01865	0.7
55.05500	8.6
55.05742	0.3
57.03416	0.9
57.07066	2.5
65.03923	1.0
67.05492	26.2
69.07053	8.6
71.04984	1.5
71.07827	0.7
71.08611	1.2
76.47656	0.3
77.03908	0.5
77.62359	0.3
79.05479	38.5
80.05811	0.5
81.07042	30.9
83.08603	4.8
85.06521	2.4
88.64355	0.3
91.05465	18.6
92.69762	0.3
93.07026	52.3
94.07349	0.5
95.04963	3.1
95.08589	25.3
97.06511	2.0
97.10133	1.9
97.10682	0.3
99.08058	2.3
105.04549	0.7
105.07014	12.3
107.08575	34.4
109.06502	1.3
109.10136	10.9
111.08073	2.2
111.11687	0.4
113.09623	0.8
117.06987	4.5
119.07688	0.3
119.08558	9.5
121.10122	29.1
122.10450	0.7
123.08026	0.7
123.11684	3.1
124.08366	0.3
125.09610	0.8
129.07045	0.3
130.07677	0.3
131.08556	9.9
133.10101	9.3
135.11665	25.6
136.12006	0.4
137.09595	1.0
137.13216	0.9
145.10095	10.2
147.11664	7.9
147.12558	0.2
149.09566	0.6
149.13232	20.8
150.13565	0.4
151.11198	0.5
151.14796	0.7
153.12663	0.6
159.11673	7.3
161.13223	9.0
163.11171	0.4
163.14793	14.7
164.15178	0.3
165.12694	1.0
173.13219	7.2
175.14799	3.5
177.16324	3.5
179.14262	0.8
185.13254	0.4
187.14810	5.0
189.16339	1.0
191.14319	0.4
193.15828	0.3
201.16313	1.9
205.14145	0.4
205.15858	0.7
215.17914	1.0
219.17432	0.4
233.22624	1.2
243.21048	24.0
244.21431	1.0
261.22089	100.0
262.22424	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	261.2209
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
53.03940	1.9
54.61003	0.4
55.01862	0.7
55.05502	9.0
57.03414	0.7
57.07063	3.1
65.03905	1.2
67.05495	27.3
69.06718	0.5
69.07059	7.9
70.93237	0.4
71.04958	1.8
71.08616	0.9
77.03922	0.6
79.05482	34.9
81.07045	33.9
83.04960	0.8
83.08190	0.5
83.08607	5.6
84.52198	0.4
85.06548	2.0
87.65524	0.4
91.05466	18.6
93.07029	51.6
95.04957	2.8
95.08592	23.4
95.09092	0.3
95.09222	0.6
97.06504	2.4
97.10151	1.7
98.20689	0.8
99.08080	3.3
105.07012	13.6
107.04937	0.4
107.08578	34.6
108.08839	0.5
109.06494	1.0
109.09441	0.7
109.10136	10.1
111.08070	2.3
111.11694	0.5
113.09622	1.0
115.05439	0.6
117.07004	4.7
119.07784	0.7
119.08568	11.5
121.10123	30.0
122.10419	0.5
123.08046	0.9
123.11687	3.2
125.09601	1.1
131.08551	11.0
133.09100	0.5
133.10107	9.1
135.11671	25.6
137.09587	1.0
137.13219	1.1
139.11153	0.6
145.10106	10.7
147.11664	8.5
149.09630	0.7
149.13234	21.0
151.11160	0.7
159.11673	8.0
161.13229	8.5
162.47203	0.4
163.11066	0.6
163.14801	13.7
165.12735	0.9
173.13228	8.0
175.14798	4.1
177.16354	3.6
179.14319	1.2
187.14803	5.2
189.16328	0.9
201.16396	3.2
205.15739	0.9
215.17929	1.3
217.19461	0.6
219.17480	1.1
233.22633	1.4
243.10196	0.5
243.21046	26.3
261.22101	100.0
262.22482	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	261.221
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	0.3
52.76256	0.2
53.03939	1.1
55.01865	0.5
55.05502	8.3
56.96550	0.2
57.03429	0.8
57.07066	2.8
57.82191	0.2
61.64854	0.2
63.90432	0.2
65.03929	1.1
67.05494	26.3
69.03445	0.2
69.07056	8.3
69.43214	2.4
70.07437	0.2
71.04995	1.4
71.08620	1.1
77.03918	0.5
79.05480	35.1
80.05809	0.2
81.03419	0.5
81.07043	31.7
82.07398	0.3
83.04968	0.8
83.08603	5.2
85.06531	2.7
85.10148	0.2
91.05465	16.5
92.05776	0.2
93.07028	52.2
94.07354	0.6
95.04951	2.7
95.08590	23.1
97.06532	2.6
97.10161	2.1
98.21496	0.4
99.08073	2.4
105.04540	0.5
105.07014	12.5
107.08576	34.2
108.08929	0.5
109.06509	1.1
109.10139	10.4
111.08045	2.1
111.11654	0.3
113.09624	1.0
117.06988	4.4
119.08559	10.6
121.10123	30.9
122.10429	0.3
123.08042	0.9
123.11691	3.5
125.09607	0.7
127.11204	0.4
129.07030	0.4
130.07608	0.3
131.08551	10.0
133.10110	9.3
135.11668	24.7
136.11946	0.4
137.09581	1.3
137.13234	1.2
139.11162	0.4
141.14813	0.2
143.06317	0.3
143.08617	0.5
145.10098	10.2
147.11668	8.5
149.09616	0.9
149.13234	21.5
151.11192	0.8
151.14798	0.5
152.12538	0.2
153.12744	0.7
159.11664	7.4
161.13223	8.6
162.82318	0.2
163.11133	0.4
163.14795	15.9
164.15173	0.3
165.12706	1.0
173.13245	8.6
175.14803	3.6
177.12772	0.5
177.16359	4.5
179.14288	1.0
187.14789	5.1
189.16356	0.8
191.14333	0.4
193.15919	0.3
201.16373	2.5
203.17978	0.4
205.15872	0.8
215.17862	1.2
217.19589	0.4
219.17340	0.6
233.22635	1.4
234.04149	0.2
243.10114	0.7
243.21042	26.0
244.21378	0.7
261.22092	100.0
262.22412	3.0
274.59604	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.1117
Annotation	8-Deoxylactucin
Peak:m/z	Relative Intensity
53.33451	0.4
55.01869	0.7
55.05508	0.6
58.80890	0.4
67.05505	1.4
69.03414	6.5
69.07069	0.6
69.88178	3.0
75.71165	0.5
76.27319	0.4
79.05479	2.2
81.07037	2.5
83.04974	0.6
91.05470	1.3
93.07048	0.4
100.61391	0.5
103.05457	0.5
105.03397	0.6
105.06999	1.2
105.72038	0.5
107.04941	3.7
109.06499	2.9
115.05470	0.8
117.07017	2.0
119.04917	0.8
121.02827	0.5
121.06514	0.6
128.06235	0.8
129.02644	0.4
129.07011	1.1
131.04933	0.9
131.08575	1.0
133.06448	0.7
135.04405	3.2
141.06958	5.3
143.08519	1.2
145.06453	9.0
145.10075	0.6
147.04367	1.1
147.07997	0.6
153.07011	1.0
154.07742	3.5
155.08539	1.3
158.07283	1.1
159.08084	3.0
159.11629	0.8
161.02357	0.8
161.05951	2.5
163.03909	1.1
163.07501	1.5
165.07085	1.1
166.07756	1.0
167.08563	1.5
169.06546	0.8
169.10094	6.2
171.08051	0.8
172.08807	0.9
173.05954	6.3
173.09560	2.6
174.06709	0.8
175.07568	0.5
178.07759	1.9
179.03400	1.2
179.08549	5.5
181.06487	2.1
182.07254	4.8
183.08046	1.8
185.05984	2.0
186.06711	0.8
187.07521	1.4
187.11130	3.6
189.05472	3.0
189.09100	1.0
191.10669	0.6
197.09583	13.9
198.09909	0.6
199.07587	0.6
200.08276	2.8
200.20038	1.8
201.05409	3.8
201.09119	2.1
207.06508	1.3
207.08171	0.7
210.06712	1.8
213.05421	7.9
214.06340	0.7
215.07082	1.4
215.10634	22.0
219.06465	1.9
225.09058	25.7
226.09639	1.0
227.06964	2.6
228.07782	12.9
228.09993	1.0
233.07993	0.9
233.11713	2.5
243.10130	85.1
244.10417	2.0
261.11176	100.0
262.11578	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.1119
Annotation	8-Deoxylactucin
Peak:m/z	Relative Intensity
55.05490	1.3
57.03409	0.5
57.07059	1.3
67.05476	1.5
69.03419	6.2
69.07055	0.7
70.06576	0.9
72.08136	0.5
72.08922	0.5
79.05463	2.7
81.07042	3.3
84.08136	0.6
86.09691	0.6
88.07632	1.4
89.07964	0.7
91.05439	2.0
93.07056	1.2
95.04942	0.5
95.08556	1.0
102.09140	0.5
103.05412	0.7
104.10730	1.3
105.07023	2.3
106.08643	0.7
107.04958	2.9
109.06515	2.5
110.07147	0.6
115.05423	0.9
117.06992	2.8
119.04890	0.9
119.08569	1.0
121.02824	0.5
121.06486	0.9
128.06201	0.9
129.06984	1.1
131.04898	0.8
131.08531	1.9
133.06425	0.6
133.10143	0.7
135.04420	2.7
141.06998	3.7
143.08553	1.1
145.05389	0.7
145.06467	9.6
145.10025	1.0
145.37668	0.5
147.04382	1.6
147.07977	0.7
149.05934	1.0
153.06940	0.8
154.07774	3.9
155.08516	1.7
157.06473	1.1
158.07205	0.7
159.08029	3.2
159.11676	1.1
161.05945	2.1
163.03836	1.7
163.07561	0.9
165.07001	1.0
166.07745	0.9
167.08536	1.3
169.06490	1.2
169.10120	7.5
171.08005	1.1
172.08817	0.7
173.05968	7.3
173.09560	2.2
174.06784	0.7
178.07747	2.2
179.03366	1.1
179.08499	5.9
181.06412	2.5
182.07275	5.4
183.08035	2.4
184.05128	0.6
185.05995	2.7
186.06747	0.5
187.07539	2.4
187.11166	4.5
189.05440	4.5
189.09068	0.7
191.07037	1.0
191.10591	0.8
197.09595	17.3
199.07530	1.4
200.04582	0.6
200.08267	3.3
201.05479	5.3
201.09013	2.3
201.16344	0.5
207.06465	1.8
207.08133	0.5
210.06706	0.9
213.05440	8.5
214.06242	0.7
214.62601	0.5
215.10638	24.6
217.12085	0.7
218.20911	0.5
219.06538	2.9
225.09070	28.9
226.09590	0.7
227.06979	2.5
228.07771	14.9
233.08128	1.1
233.11652	2.8
243.10135	86.9
243.25270	1.0
244.10390	0.9
261.11188	100.0
261.26147	14.3
262.11517	1.9
262.24002	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.1118
Annotation	8-Deoxylactucin
Peak:m/z	Relative Intensity
55.05492	0.9
57.03408	0.7
57.07069	0.6
63.79335	0.5
64.96238	0.5
67.05511	0.5
69.03415	5.5
69.91555	2.7
69.91956	0.9
73.69254	0.5
79.05486	1.3
81.07029	2.5
91.05455	1.6
93.07015	0.9
95.08589	0.7
98.20908	0.8
103.05464	0.5
105.07018	1.6
107.04931	3.3
108.74406	0.5
109.06497	2.6
115.05443	1.2
117.07021	2.2
119.04909	1.5
119.08574	0.6
121.02850	0.8
121.06478	0.6
128.06223	1.1
129.06961	1.9
131.04845	0.7
131.08591	1.2
133.06496	0.8
135.04376	2.3
141.06940	4.0
143.08580	1.2
144.05664	0.6
145.06467	9.9
145.10118	1.4
147.04399	1.4
147.08031	1.1
153.07016	1.0
154.07774	4.0
155.08566	1.3
157.06479	1.0
158.07278	1.1
159.08038	3.0
159.11618	0.9
161.02280	0.6
161.05928	1.8
163.03847	1.1
165.06964	1.4
166.07747	0.9
167.08525	0.8
169.06439	1.0
169.10088	6.4
171.08020	0.6
172.08783	0.9
173.05940	7.1
173.09581	2.3
174.06816	1.2
178.07796	2.0
179.03302	1.6
179.08502	5.7
181.06416	1.4
182.07256	5.7
183.08025	2.8
185.05980	1.6
186.06773	1.3
187.07520	2.2
187.11194	4.2
189.05420	3.1
189.09059	1.1
191.07013	1.8
197.09584	15.9
199.07544	1.3
200.08318	4.0
201.05412	4.6
201.09064	2.2
207.06430	1.3
207.08070	0.7
210.06732	1.4
210.24495	0.5
213.05426	8.9
215.07245	1.2
215.10628	23.7
219.06511	2.0
225.09061	28.2
227.06920	2.1
228.07755	12.5
233.08009	0.8
233.11688	3.2
243.10126	87.0
244.10429	0.8
261.11172	100.0
261.26047	1.0
262.11493	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.1116
Annotation	Murraol
Peak:m/z	Relative Intensity
55.05487	1.7
56.05009	2.0
57.03419	0.8
59.06104	1.7
62.62196	0.7
67.05473	1.3
69.03416	5.9
69.07056	1.6
70.06578	1.4
70.34270	1.9
70.34657	1.8
75.05578	1.8
79.05462	2.7
80.03512	0.8
81.07027	3.8
86.09674	1.1
87.67387	0.9
88.07622	1.7
89.07137	2.4
91.05463	2.2
92.74989	0.9
93.07042	1.1
95.04951	0.9
95.08580	1.1
98.21400	1.3
98.97526	1.1
103.08669	1.2
105.06998	2.6
107.04917	3.3
107.08549	1.7
109.06495	2.0
110.09517	0.8
115.05455	0.9
117.06985	3.0
120.08058	1.1
121.00434	1.1
121.02823	2.1
121.06479	1.8
121.09705	12.5
128.06186	1.5
129.06969	2.1
131.04904	1.3
131.08559	2.1
133.10052	1.0
135.04387	2.0
135.08032	1.3
141.06927	3.7
143.08542	1.0
145.06473	8.7
145.10107	1.4
147.07925	1.0
149.02315	2.5
149.05937	1.0
149.09564	1.1
153.06892	1.1
154.07771	4.7
157.06538	1.4
159.08018	3.8
159.11635	1.6
161.05899	1.6
163.03815	1.7
163.07535	1.1
165.07002	1.5
167.08534	1.2
169.10091	6.2
171.07932	1.2
173.05940	8.0
173.09593	2.1
177.00562	1.7
178.07726	1.3
179.03278	1.0
179.08557	5.8
181.06407	2.1
182.07249	4.6
183.07935	1.3
185.05936	2.2
185.20029	2.4
186.06766	1.0
187.07452	2.0
187.11104	2.6
189.05397	2.8
189.09035	0.9
191.07065	1.2
197.09583	13.4
199.07596	1.0
200.08269	2.5
200.20078	2.7
201.05411	5.5
201.09004	1.9
201.20358	1.0
207.06421	1.2
213.05434	8.1
214.21562	3.5
215.06920	1.3
215.10641	21.7
217.22604	1.4
219.06508	2.5
225.09073	25.6
227.07024	2.5
228.05583	1.1
228.07777	12.5
233.11658	3.0
243.10127	87.0
244.10446	1.3
259.01340	1.2
261.11157	100.0
261.22650	2.2
261.25357	25.2
262.11618	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.0578
Annotation	Suprofen
Peak:m/z	Relative Intensity
52.33210	0.9
55.40489	0.9
55.78215	0.8
56.96544	1.1
60.50691	0.8
68.37543	0.9
70.92343	2.6
73.02894	0.9
73.70824	0.9
75.44687	0.8
84.04465	1.0
84.08113	3.1
85.08442	1.6
85.29148	0.7
86.09702	6.6
96.84817	0.9
97.19586	0.8
98.97540	1.4
113.03419	1.7
114.01774	1.0
116.98607	1.6
119.01897	2.3
120.38912	1.0
130.23645	1.0
132.12505	0.9
132.86273	0.9
133.03415	1.6
148.06050	1.0
150.12799	0.8
161.02905	1.2
169.01031	2.0
171.02582	1.5
177.00717	1.5
201.03682	2.5
229.03168	22.7
243.04758	3.6
261.05786	100.0
261.09348	10.9
261.19937	1.0
262.05975	0.9
280.74387	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.0302
Annotation	Cyclophosphamide
Peak:m/z	Relative Intensity
56.96541	0.5
60.27773	0.1
69.96632	0.5
69.97050	0.2
71.68031	0.1
82.99857	0.2
98.97568	3.6
101.00858	1.5
101.17070	0.1
109.06379	0.1
116.98608	2.8
119.01904	7.0
120.01971	0.3
122.61424	0.1
131.00150	0.2
134.99690	1.2
135.00731	0.2
136.14853	0.1
137.02942	1.6
153.00871	0.3
158.99794	0.8
161.03029	0.3
163.60072	0.1
165.99594	0.2
173.01228	0.3
175.03021	0.3
177.00916	13.0
178.01071	0.3
182.99835	0.3
189.00668	0.2
191.02287	0.2
193.03973	0.1
195.01949	0.4
201.00862	1.2
204.73952	0.2
208.63736	0.2
217.04082	2.4
218.04115	0.2
219.01964	18.2
220.02129	0.9
221.01866	0.2
225.00829	2.1
237.02914	0.2
237.98706	0.7
242.03629	0.3
243.01944	7.6
244.01959	0.3
261.03015	100.0
262.03143	4.7
263.03433	0.4
266.03558	0.2
275.04517	0.2
279.00598	2.1
279.03592	0.2
284.04605	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.0578
Annotation	Unknow
Peak:m/z	Relative Intensity
55.65494	0.8
69.55206	7.0
69.55531	1.3
86.09676	1.5
141.78970	0.8
171.02637	1.0
201.03770	1.3
222.40648	1.0
229.03189	18.1
243.04738	3.1
261.05801	100.0
270.74484	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	260.2214
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81103	1.0
53.55787	1.0
55.05495	2.4
56.05027	8.0
57.03403	1.4
57.06826	1.5
57.07067	20.8
58.02940	6.2
58.06584	2.9
60.04512	21.8
62.50227	1.0
67.05486	1.9
69.07052	1.7
70.06582	14.2
70.21104	1.1
71.08274	1.3
71.08625	13.8
71.62032	1.1
71.62429	1.5
71.62860	2.1
72.04514	8.7
72.08120	1.1
72.47938	1.0
74.06059	3.1
79.05429	1.7
81.03395	2.5
81.07024	4.1
84.04468	5.2
84.08105	1.5
85.02885	2.8
85.10168	7.5
88.03980	6.4
88.07618	13.7
93.07017	1.4
95.08582	3.0
102.05527	5.8
102.09142	2.8
106.05015	38.2
106.08641	7.1
114.09164	1.2
155.14304	3.4
157.61292	1.1
170.19000	2.3
198.18486	1.6
200.05533	1.4
204.13817	3.9
242.21266	1.4
242.24821	6.4
260.25809	100.0
261.11115	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	260.1601
Annotation	H-Ile-Gln-OH
Peak:m/z	Relative Intensity
56.05030	8.0
56.96559	1.4
60.04493	1.1
60.09700	1.0
66.73352	0.9
69.03410	1.6
69.07039	3.2
70.06590	1.7
70.43255	3.9
70.43623	1.5
70.91653	0.9
72.08137	3.4
74.02453	1.4
75.05557	1.1
75.90700	1.0
77.27503	1.1
83.06091	67.1
84.04490	90.9
84.07616	2.0
84.08128	38.3
85.02884	2.6
86.09691	100.0
90.19532	1.0
97.02839	2.1
98.97580	2.8
98.98418	1.6
101.07126	9.4
116.98595	2.3
119.85268	0.9
120.08057	1.1
127.03901	1.3
129.06601	6.7
129.10219	8.7
130.04932	1.0
130.08609	7.0
131.78793	1.1
132.10188	35.6
134.99515	1.2
141.06528	2.8
143.11722	6.0
147.07671	1.3
147.11285	6.6
157.13342	4.7
161.09161	1.2
166.80460	1.2
171.11266	4.3
172.04239	1.8
177.00648	2.0
185.12836	2.5
189.00661	1.2
196.14413	9.7
197.12810	31.2
219.01936	1.1
225.12370	3.7
242.14960	85.6
243.13368	57.8
243.17177	2.9
260.16013	7.4
260.19638	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	260.1671
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51611	0.6
55.01857	1.8
55.05499	19.9
56.05002	1.1
57.07062	4.8
57.98782	0.9
58.06585	1.2
58.99580	23.8
61.01140	1.4
62.00628	0.9
67.05169	0.9
67.05494	14.6
69.07056	18.4
70.06571	1.8
71.08607	2.4
73.01134	1.6
74.00650	2.0
76.02219	12.7
79.05473	2.4
81.07045	22.2
83.08607	14.0
84.08130	1.2
85.01119	1.4
85.10172	0.9
86.99043	14.6
87.02678	21.8
88.02202	4.2
88.03970	2.9
90.03745	1.1
91.05485	0.9
93.07008	1.3
95.08592	20.5
97.10163	5.1
99.02660	2.6
101.04227	9.6
105.00062	6.6
105.07007	1.2
109.10073	0.9
111.11657	0.8
115.05798	1.7
116.05290	5.6
137.13251	2.0
156.17447	36.3
158.04517	0.7
168.17436	1.2
171.11992	2.4
180.17519	1.0
184.20581	2.5
197.13518	1.4
198.22144	39.9
201.16246	1.4
204.13773	2.4
214.16228	17.3
229.32350	0.8
242.24728	3.4
243.14113	46.0
244.14456	1.3
260.16760	100.0
260.25848	9.1
261.17114	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.2052
Annotation	13-Apo-beta-carotenone
Peak:m/z	Relative Intensity
55.05259	2.1
55.05485	9.4
57.07069	4.7
62.31569	1.9
67.05485	6.9
69.07054	34.6
71.04979	28.1
71.08622	2.1
71.13428	4.0
78.64471	2.2
79.05470	6.6
80.20679	1.9
81.07039	15.9
82.02015	1.9
83.04968	5.7
83.08587	8.6
85.06536	27.2
87.63409	1.8
87.69419	2.0
91.05455	8.3
93.07022	15.6
95.08587	18.8
97.06496	6.4
97.10117	2.4
99.08072	2.4
105.07016	22.6
107.08567	19.5
109.06515	10.2
109.10146	15.8
111.08058	19.5
117.06991	5.4
119.08558	56.3
120.27571	2.1
121.10125	12.0
123.08063	2.1
123.11689	27.0
129.06973	2.5
131.08580	10.6
133.10104	32.2
135.08034	20.7
135.11673	4.4
137.09550	3.6
142.07651	2.0
143.08525	5.2
145.10092	28.8
147.11630	17.0
149.13193	3.5
151.11096	2.1
153.47804	1.9
156.09317	3.8
157.10110	10.2
159.11661	35.6
160.12418	3.6
161.13214	32.8
163.11104	3.0
170.10864	3.0
171.11621	16.3
173.13275	10.1
175.11115	3.2
175.14796	100.0
176.15501	8.0
177.12738	4.3
177.16385	4.6
185.13223	13.9
189.12726	6.0
189.16327	6.1
190.13452	3.4
190.99335	2.0
191.14284	3.2
199.14763	5.6
201.16336	25.8
203.14270	10.8
215.17946	5.3
229.15674	2.4
241.19489	16.2
259.20520	96.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.1688
Annotation	(E)-2-(1,5-Dimethyl-1,4-hexadienyl)-5-methyl-phenol acetate
Peak:m/z	Relative Intensity
51.02367	2.1
53.03940	19.4
55.01862	8.7
55.05264	1.9
55.05497	10.4
57.03427	2.1
57.06818	1.9
57.07066	29.3
65.03954	3.9
67.05500	16.4
69.03426	12.0
69.07050	8.4
69.38891	16.0
71.01340	1.6
71.04969	1.8
71.08611	1.6
77.03918	12.3
79.05108	1.8
79.05482	16.5
81.03407	51.3
81.07028	6.2
83.04960	3.9
83.08613	3.7
85.10170	57.1
91.05470	31.7
93.03383	5.6
93.07028	7.7
95.04967	12.6
95.08595	14.8
97.06479	3.9
97.26222	1.4
103.05434	6.5
105.03398	13.0
105.07012	21.8
107.04292	1.5
107.04941	17.8
107.08606	1.7
109.02837	6.8
109.10110	3.8
113.08856	3.1
113.09623	47.5
115.05445	8.6
117.07000	16.7
117.28535	1.4
119.04960	2.1
119.08557	13.6
121.06485	3.9
121.10107	3.4
123.04484	2.3
128.06216	18.9
129.06987	29.5
131.04890	6.4
131.08530	9.6
132.05724	4.0
133.06436	10.2
133.10062	3.8
138.08383	1.8
141.06934	5.6
142.07782	3.4
143.08551	14.1
144.05695	2.2
145.06467	17.7
145.10088	3.7
147.04370	4.9
147.08020	27.4
153.06972	2.8
153.12737	3.0
155.08542	2.0
156.17471	1.7
157.06459	10.8
157.10042	5.1
159.08025	3.8
161.05919	3.1
161.09618	3.6
169.10074	2.3
171.07986	8.1
171.11674	2.5
175.07513	7.0
179.10678	1.9
181.12221	6.6
185.09471	3.4
189.09006	2.2
191.14236	3.7
199.14806	2.0
202.07718	3.2
203.08525	1.9
205.12321	2.1
213.16364	2.3
215.08606	3.2
215.14299	3.0
216.09253	4.4
217.12199	37.8
217.15758	3.0
218.09624	5.6
231.17393	7.8
241.15767	6.3
243.07927	1.7
244.08809	3.6
259.11234	22.8
259.16888	100.0
259.28134	2.5
260.10815	2.8
260.16861	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	259.0823
Annotation	Posoquenin
Peak:m/z	Relative Intensity
55.01855	0.4
55.05500	0.3
56.05029	2.1
57.07051	0.4
58.99569	0.6
59.54705	0.2
67.05458	0.2
68.04950	0.2
68.12215	0.2
69.03402	0.2
69.07056	0.3
69.86165	1.1
70.02931	0.4
70.06567	0.7
72.08152	0.3
76.03984	0.3
79.05464	0.7
81.03387	0.3
81.07053	0.3
84.04478	0.6
84.08138	1.5
85.01118	1.0
85.02861	0.2
86.00633	0.6
86.09700	1.1
86.99043	0.3
87.02685	0.2
87.10054	0.2
88.03970	0.4
91.05462	0.6
93.07027	0.2
94.06570	0.2
97.01103	0.2
97.02876	0.4
98.09676	2.7
100.11230	0.4
102.05506	1.0
104.04946	0.3
105.07076	0.2
106.06534	0.4
108.08065	0.3
110.09661	0.5
113.04222	1.5
116.01659	1.2
116.04927	0.3
117.04518	0.2
117.05704	0.2
118.05247	0.6
118.06458	0.2
119.04885	0.3
121.44760	0.2
122.09688	0.2
124.93159	0.2
128.04955	0.4
129.10223	0.4
130.04942	0.3
130.06743	0.3
130.08618	0.5
131.05174	0.2
131.06018	1.3
133.07576	1.9
143.04852	0.3
143.05969	0.5
144.01164	0.3
146.06013	0.6
156.08429	2.0
156.10188	2.3
158.07130	2.4
161.05968	0.2
162.02165	0.4
165.09058	0.2
169.06410	0.3
170.05653	0.4
170.07112	7.3
175.11948	0.2
188.08167	27.9
189.03278	0.4
190.09702	0.5
198.06493	0.2
199.07608	0.2
201.12306	0.3
206.09161	1.2
213.07564	0.3
214.06085	11.8
215.05469	1.7
215.09145	0.4
216.07784	2.8
223.05968	0.2
229.07120	0.3
230.07852	0.3
231.08777	0.8
232.07137	25.0
233.07426	0.3
234.08733	1.5
241.07161	0.7
242.08458	0.4
259.08246	100.0
259.10938	7.5
260.06573	0.7
260.08585	0.8
263.74612	0.2
264.51401	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0747
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.0
55.01859	1.6
56.96558	4.7
57.03413	2.4
60.04510	1.3
61.02897	2.3
67.04221	1.9
69.03416	5.9
70.06580	1.9
70.10850	1.3
70.11260	2.9
71.04927	1.3
72.08138	1.6
73.01105	1.2
73.02901	3.2
74.00639	5.0
81.03384	2.0
84.04477	2.7
84.08132	6.7
85.02892	10.6
85.08485	0.9
86.09682	3.6
87.04448	0.6
88.03941	0.9
91.03896	0.8
95.00756	1.0
97.02866	6.2
98.97581	4.2
99.04434	1.2
100.02185	83.8
101.00871	1.5
104.01241	0.9
106.02818	2.0
107.04920	1.5
110.97535	1.5
112.71543	0.7
112.99127	6.2
115.03310	1.1
116.98596	2.4
118.03237	4.1
119.01902	6.5
120.01079	0.9
127.03903	2.1
129.10204	3.8
130.10568	0.8
131.00156	6.7
131.01834	1.4
133.03398	5.0
134.99620	1.3
135.04330	1.1
137.02991	0.9
137.05922	0.8
138.99976	1.2
139.03297	1.7
140.95210	1.3
142.03806	1.9
143.00154	0.7
145.04886	1.3
146.02681	100.0
146.99649	1.5
147.03047	0.9
148.03847	2.4
149.01236	3.2
149.02908	1.1
149.89287	0.7
151.04463	1.2
152.25612	0.7
158.96301	1.1
158.99670	1.2
160.03848	0.7
161.02881	1.5
163.03891	3.8
164.04285	1.0
169.04367	10.1
169.54608	1.1
170.99666	0.9
171.01180	1.0
174.99413	0.8
175.00830	3.1
175.02643	1.1
177.00691	3.0
177.02266	0.9
178.04909	15.0
178.55084	1.1
179.05402	0.7
182.96265	1.4
187.05452	2.2
189.00711	0.9
189.02435	3.2
191.02325	1.0
191.03914	1.0
193.00165	0.9
193.02032	1.5
193.03816	4.1
197.02945	0.7
199.02156	6.4
200.54300	0.7
206.03488	0.7
211.04829	2.7
213.06894	15.1
213.08893	1.2
215.03865	0.9
217.00116	0.9
217.01964	3.5
219.01762	0.9
231.01695	1.9
235.01039	1.4
235.02917	1.8
235.04855	8.3
236.04872	0.8
241.03149	2.6
241.08708	0.8
249.02794	1.3
253.05931	2.4
258.69278	0.7
259.04230	42.1
259.07443	33.0
265.05981	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0421
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03907	1.1
55.01852	1.8
55.05489	2.3
67.05502	1.4
69.03407	4.9
69.07058	1.7
70.06570	2.9
71.35192	2.5
72.08138	9.9
73.22514	1.3
79.05474	2.4
81.03402	1.4
84.04483	3.1
84.08123	10.4
85.02870	2.9
86.09680	8.0
91.05477	1.3
93.07006	1.7
97.02869	7.8
97.06485	3.2
109.06475	1.6
121.06492	3.0
129.10187	5.0
138.05440	1.3
141.06982	1.5
151.07451	1.2
161.05956	1.8
195.79985	1.2
198.67180	1.3
215.06999	2.4
247.17316	1.2
252.26509	1.4
259.04205	100.0
259.16669	2.7
260.09885	1.3
269.12756	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	258.2424
Annotation	Andrachamine
Peak:m/z	Relative Intensity
50.91895	0.6
53.70291	0.7
55.05499	1.2
56.05025	6.4
57.03406	0.7
57.07066	10.1
58.06591	0.9
67.05493	1.7
69.03410	2.9
69.07037	2.6
70.06578	1.7
70.13411	2.0
70.13808	1.5
71.04964	0.9
71.08620	5.1
74.06069	0.9
74.40984	0.7
78.46516	0.6
81.07019	1.7
85.10155	2.2
86.06058	34.7
87.04460	33.4
91.05457	1.1
93.07022	1.0
95.08562	1.5
95.18847	0.7
97.06523	1.3
102.05526	9.6
104.07101	0.8
104.63604	0.7
132.27780	0.7
146.10393	0.8
163.03888	1.3
171.04367	0.9
172.20595	5.0
196.20544	2.5
199.16885	1.5
212.19992	1.2
214.17932	0.8
214.21663	3.1
215.06975	1.1
240.11479	4.1
240.23183	5.7
258.20840	3.5
258.24258	100.0
259.09607	1.9
259.20456	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	258.2425
Annotation	Andrachamine
Peak:m/z	Relative Intensity
55.05262	0.4
55.05506	6.7
56.05017	0.9
57.07069	10.3
60.04501	0.5
60.70418	0.4
67.05498	0.7
69.07053	1.4
69.35206	0.4
70.06586	1.7
71.08611	2.3
71.62510	0.7
72.08147	27.6
74.02422	0.6
74.06071	1.3
76.79528	0.4
79.05485	0.5
81.07033	0.9
82.06507	0.4
82.84552	0.5
83.08617	0.6
83.40140	0.5
83.57719	0.4
84.04483	0.5
84.08148	0.9
85.10165	1.6
86.00633	1.0
86.09698	10.7
87.32757	0.4
88.03984	0.4
95.08614	0.7
96.16004	0.4
97.06510	1.5
102.05500	3.1
109.10152	0.5
112.96533	0.5
114.43682	0.5
118.08610	1.0
132.01167	0.8
156.17386	0.6
163.03896	0.9
173.02348	0.9
179.05341	0.4
186.74287	0.4
196.20605	0.7
200.20070	0.7
212.23715	100.0
213.24039	1.3
214.21631	4.3
215.06955	0.6
228.03720	0.7
240.23164	2.3
243.05952	0.7
245.84164	0.4
258.08411	3.7
258.15314	1.1
258.24265	89.7
259.09576	1.2
259.24570	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0419
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.6
55.42660	1.2
56.96542	6.7
57.03426	2.4
58.99864	2.5
61.02913	2.3
69.03425	6.7
70.06559	3.2
70.99847	1.4
71.57493	2.2
72.08134	3.1
73.02895	3.0
74.00651	1.9
81.03386	1.4
82.18594	1.3
84.04476	4.4
84.08109	8.1
85.02888	10.7
86.09673	5.7
87.04428	1.3
97.02303	2.3
97.02870	7.0
98.97561	4.1
100.02190	29.1
101.00859	7.5
102.05516	1.8
106.02832	1.5
112.99103	7.2
113.00779	6.6
114.84830	1.5
115.02408	2.0
115.45590	1.7
116.98569	1.9
117.95963	3.1
119.01894	26.0
127.03976	3.1
128.98592	3.9
129.10246	2.6
131.00166	8.8
131.01883	95.4
132.01997	2.6
133.03429	26.7
137.02020	2.7
137.02945	3.6
139.00044	2.6
143.01891	4.7
145.03444	1.9
145.04887	1.5
146.02679	29.3
146.03853	1.8
146.99629	1.9
148.03816	2.3
149.01146	3.1
149.02940	45.1
150.97255	1.5
151.04512	10.2
155.02940	1.7
158.96228	1.7
158.99608	2.6
159.01413	4.6
160.03784	1.8
160.05042	1.6
161.02965	6.3
163.04440	1.4
167.03937	1.3
169.04375	11.9
171.00005	1.4
171.01399	6.4
174.99106	4.8
175.00864	14.2
177.00726	3.6
177.02408	47.2
177.03958	3.0
178.02539	1.9
178.04886	16.8
179.03984	1.7
182.96306	1.6
185.02956	4.4
189.00894	2.5
189.02417	17.0
191.03944	3.7
193.00142	5.4
193.01938	4.3
193.03705	3.1
195.03477	19.9
199.02171	18.5
200.04198	2.7
203.04010	6.6
211.04778	3.3
213.02379	31.1
213.06912	3.0
215.03984	5.7
217.01881	19.7
231.01338	2.5
231.03477	36.0
233.05075	6.3
235.02933	11.7
235.04974	6.2
241.01953	15.7
249.04561	2.3
253.06012	1.9
259.04028	100.0
260.03091	4.2
277.04016	66.9
278.04370	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	258.0736
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96145	7.0
59.22506	7.2
59.60022	6.8
69.03426	7.9
70.06599	7.2
70.29609	30.2
79.66929	6.3
85.02897	12.6
86.09666	8.3
96.04484	8.5
97.02882	9.1
100.67402	6.8
104.10702	31.2
126.06599	12.6
162.42047	6.6
178.04787	12.3
199.24825	7.1
258.07458	100.0
258.10257	9.3
259.04178	51.7
260.44229	6.8
264.64413	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	257.1896
Annotation	3-Deoxyestradiol
Peak:m/z	Relative Intensity
51.12380	0.6
53.03934	1.4
55.05492	3.1
57.07066	1.3
57.33143	0.7
59.04977	1.0
65.73384	0.8
67.05502	4.9
69.03403	0.9
69.07053	4.2
70.06572	0.9
70.88687	1.7
70.89085	1.4
71.04986	3.6
79.05481	5.4
81.07049	5.3
83.04978	1.5
83.08597	2.3
85.06516	2.2
90.09158	0.8
91.05451	7.8
93.07027	16.4
95.04957	5.5
95.08584	10.0
97.06532	0.9
99.08082	1.6
103.05434	1.0
105.07008	20.2
107.08574	16.2
109.06496	6.7
109.10137	8.8
111.08060	2.7
113.09628	1.0
115.05462	1.1
117.06993	5.9
118.96540	0.7
119.08561	19.4
119.65998	0.7
121.06512	1.4
121.10121	64.3
122.10450	1.4
123.08032	4.7
123.11686	2.4
128.06201	1.7
129.06998	3.0
131.08534	12.2
133.07549	0.9
133.10107	10.8
135.08029	24.4
135.11635	3.3
137.09586	5.6
141.06967	1.2
142.07787	5.1
143.08528	14.1
144.09332	1.9
145.10098	16.7
147.08037	1.0
147.11664	3.1
149.09558	3.4
151.11111	1.5
155.08521	3.1
156.09326	3.0
157.10095	16.7
158.10921	3.9
159.08096	1.2
159.11665	16.1
161.09657	1.4
161.13197	2.0
163.11134	4.7
167.08470	0.7
168.09239	1.7
169.10094	8.7
170.10867	1.6
171.11676	8.7
173.09555	2.1
173.13231	20.1
174.13945	1.4
175.11151	1.6
175.14828	2.2
177.12720	1.8
181.10136	1.0
183.11684	7.7
184.12425	2.1
185.13220	1.7
187.11163	4.1
187.14783	4.2
189.12672	1.8
197.13246	7.3
199.12924	1.5
199.14790	29.4
201.12666	5.3
210.14000	0.9
211.14929	0.8
213.16350	10.2
214.17108	3.3
215.14340	2.2
215.17911	6.8
222.54539	0.8
224.15588	1.4
229.19583	0.8
239.17899	16.9
257.18967	100.0
257.26498	6.3
258.19370	2.8
258.27817	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	257.1897
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.8
55.05280	0.6
55.05502	5.4
57.03428	10.1
57.07051	1.9
65.03923	0.6
67.05496	13.5
69.07055	5.2
69.29208	6.2
70.06567	0.9
71.04971	0.7
71.08617	0.6
71.68240	0.5
72.08127	1.3
77.27168	0.7
79.05482	6.3
81.03403	0.9
81.07047	9.7
83.08604	4.0
84.08119	0.5
85.06516	1.7
88.07586	0.9
90.09180	1.0
91.05466	14.0
93.07032	6.2
95.04958	1.0
95.08598	8.3
97.06525	1.1
97.10131	0.5
98.21503	1.1
99.08102	2.6
102.09126	1.1
105.07022	12.1
107.04931	0.7
107.08567	4.2
109.06505	1.2
109.10142	3.1
111.08054	1.3
112.26057	0.5
115.05406	2.7
116.06183	0.9
117.07003	23.2
119.08567	9.7
121.06487	0.8
121.10109	3.0
122.51295	0.5
123.08095	0.6
125.09557	0.8
128.06174	3.1
129.06990	18.4
130.07794	3.8
131.08553	27.2
133.06448	0.8
133.10114	5.2
135.07985	1.0
135.11638	1.4
139.01813	1.0
141.06973	2.9
142.07721	2.6
143.07469	1.2
143.08540	17.5
144.09277	1.7
145.06442	1.3
145.10104	53.0
146.10556	0.6
147.08003	1.6
147.11687	4.8
149.09572	1.7
151.11060	0.7
154.07710	0.9
155.08531	5.7
156.09326	1.1
157.10114	17.0
159.08017	0.8
159.11674	34.8
160.12086	0.8
161.09602	3.6
161.13235	2.2
162.03436	0.9
163.11198	1.6
168.09297	1.0
169.03441	2.5
169.10098	10.0
170.10876	0.8
171.08247	0.6
171.11685	10.5
173.09593	2.0
173.13251	12.7
175.11165	2.0
177.12677	0.8
181.10077	1.0
182.10876	0.7
183.11667	10.9
185.13237	49.8
186.13635	1.2
187.11055	2.6
187.14844	0.9
189.12813	0.7
197.13261	8.0
199.14821	3.3
201.12720	1.5
201.16365	4.5
209.13184	0.6
210.14034	0.9
211.14755	2.8
213.16327	1.2
213.24100	1.1
215.17915	1.0
229.19475	4.8
235.11668	1.4
239.17917	23.7
240.18370	0.7
257.18973	100.0
257.26645	9.7
257.30215	1.8
258.05960	0.6
258.19327	2.0
258.27844	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	257.1896
Annotation	3-Deoxyestradiol
Peak:m/z	Relative Intensity
55.05507	7.9
56.05012	1.7
56.05816	1.2
57.03430	9.0
57.07065	8.6
58.06577	3.9
58.07388	2.2
58.64799	1.1
67.05489	12.5
69.03384	1.3
69.07053	7.7
70.06578	9.2
71.04994	1.9
71.06895	2.1
71.08616	3.0
71.23631	2.1
79.05483	7.7
81.07040	11.3
83.08601	7.8
84.08151	2.1
85.06511	2.5
88.07624	10.4
89.07928	3.2
91.05469	13.1
93.07040	6.4
95.04951	1.1
95.08598	9.8
97.06512	1.9
97.10149	1.2
99.04496	1.2
99.08075	6.3
102.09153	10.6
103.05447	1.6
103.09491	2.7
105.07019	10.7
107.08588	2.9
109.10120	3.8
115.05419	3.4
116.06254	1.8
116.99656	1.2
117.07002	24.6
119.08542	8.1
121.10088	2.0
128.06210	5.6
129.06126	1.9
129.06987	20.4
130.07784	2.3
131.08551	25.8
133.10121	2.5
137.09625	1.5
139.01801	2.5
141.06975	5.5
142.07770	3.4
143.08549	19.6
144.02328	1.3
144.09328	2.4
145.10103	45.0
147.07993	1.5
147.11649	3.3
153.01814	2.7
155.08569	6.6
156.09351	1.4
157.10106	22.7
159.08057	1.2
159.11667	45.7
161.09627	1.6
162.03384	2.6
169.10106	12.7
170.11000	1.2
171.11655	12.7
173.13237	15.4
175.11151	2.5
183.11649	11.6
185.13232	71.9
186.13492	1.2
187.11168	1.6
197.13187	9.6
199.14838	2.5
201.12656	1.2
201.16364	2.5
210.14096	1.5
210.22200	1.1
211.14778	3.2
211.22464	8.2
213.16241	1.1
215.14354	1.3
229.19476	5.9
239.17902	27.2
245.24231	1.1
257.08063	4.8
257.11707	2.7
257.15067	1.6
257.16284	1.8
257.18982	91.3
257.23138	14.7
257.26663	100.0
258.19162	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1895
Annotation	3-Deoxyestradiol
Peak:m/z	Relative Intensity
52.16906	1.4
53.03913	3.3
53.26389	1.4
55.05500	10.4
57.03418	2.0
57.07048	4.3
67.05492	21.4
69.03400	4.7
69.07047	7.1
70.83529	4.1
71.04952	3.5
72.08125	1.9
79.05463	9.8
81.03383	3.5
81.07043	16.2
82.70916	1.3
83.04951	2.9
83.08598	3.8
85.06512	4.0
87.17229	1.3
90.62666	1.3
91.05452	19.2
93.07020	14.5
95.04950	3.6
95.08595	12.6
95.23133	1.3
97.06512	1.9
105.07009	21.8
107.08562	11.2
109.06516	3.9
109.10123	8.0
111.08053	2.2
115.05451	4.2
117.07004	27.8
119.08553	15.6
121.10122	56.3
123.08009	3.0
123.11703	2.2
128.06152	7.0
129.06969	20.0
130.07794	3.4
131.08542	56.1
133.10100	12.3
135.08035	19.1
135.11664	3.5
137.09569	3.3
141.06967	8.6
142.07733	4.6
143.08533	26.0
145.06474	1.7
145.10098	64.3
147.07985	2.6
147.11644	3.4
149.09592	3.6
153.06970	1.8
154.07744	3.5
155.08542	11.6
156.09355	1.8
157.10095	24.5
159.08018	5.2
159.11659	33.7
161.09607	3.5
162.03416	2.0
163.11098	2.7
168.09291	1.9
169.10069	14.8
171.08089	1.7
171.11638	29.2
173.09569	3.1
173.13216	22.6
175.11217	2.4
175.14716	2.1
179.08560	1.9
183.08072	1.7
183.11665	22.6
185.13211	5.3
187.11131	3.0
187.14722	2.1
189.12715	1.7
197.13226	17.2
199.14806	23.5
201.12759	4.6
203.07018	2.5
211.14810	4.9
213.16402	8.4
213.23976	4.1
215.14168	2.6
215.17860	3.5
223.13593	1.7
225.09064	3.4
226.09976	2.1
227.06967	3.7
229.12190	10.2
229.19475	1.8
239.10635	3.2
239.17903	40.1
242.09279	3.6
257.11694	32.8
257.18954	100.0
257.26526	8.2
258.19235	2.1
258.27884	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	257.1379
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.0
54.36565	0.4
55.01870	0.8
55.05497	0.9
56.46171	0.4
57.03415	2.6
67.05489	4.7
69.03423	1.2
69.07043	1.5
70.06576	2.1
70.24113	0.3
70.86273	1.2
71.04988	0.9
72.08142	0.8
72.93761	0.7
79.05475	2.8
81.03402	100.0
81.07024	2.3
82.03712	0.7
83.04964	2.3
84.08141	1.4
85.02904	1.9
86.09692	1.3
90.94807	0.6
91.05465	12.4
93.07021	6.0
95.01347	0.4
95.04955	1.7
95.08594	2.7
95.74115	0.4
97.02882	2.0
103.05437	0.5
105.07030	1.6
107.04922	5.9
108.05286	0.9
109.06487	0.8
109.10151	2.4
110.07145	0.4
117.07004	1.0
119.08562	13.1
121.06463	4.4
123.08051	2.2
123.97197	0.4
125.09634	0.4
129.10178	0.4
132.95789	0.6
135.08034	0.6
137.09587	13.8
147.08026	5.4
158.97394	0.7
162.96935	0.4
165.09085	36.2
183.10146	2.0
188.27406	0.4
225.04182	0.7
229.04950	0.7
234.98997	2.2
237.02090	0.6
239.12733	7.6
257.04471	1.9
257.08057	0.6
257.13773	2.7
257.17365	1.2
257.26801	0.5
258.00601	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1379
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	4.2
55.01848	2.9
55.05495	3.2
55.93514	1.3
56.96553	1.1
57.03428	20.7
67.05492	29.6
69.03402	4.2
69.07048	4.9
70.06574	4.5
70.95853	1.8
71.04970	4.2
71.35941	1.9
72.08120	0.9
72.93758	3.5
74.95349	1.1
75.04465	1.4
79.05481	8.5
81.03405	96.2
81.07042	8.7
83.04963	4.8
84.04483	2.1
84.08144	2.1
85.02413	1.6
85.02892	21.2
86.09694	15.8
87.10018	3.3
90.94805	3.0
91.05467	71.4
93.07030	26.0
95.04941	4.2
95.07980	1.1
95.08586	22.7
97.02867	3.3
97.06510	2.2
99.04412	1.6
103.03941	1.1
105.07001	6.7
107.04923	2.7
107.08589	1.7
108.04469	2.1
109.06457	1.3
109.10137	17.4
110.07144	4.7
117.06982	3.7
119.08563	100.0
121.06493	6.2
121.10136	5.3
121.49834	0.8
123.08026	2.7
125.07097	2.2
129.06998	2.2
132.95810	2.3
133.06470	2.9
135.08008	1.4
137.05954	5.4
137.09596	56.9
144.95827	2.5
147.08034	11.8
148.18781	0.9
150.96924	1.1
155.10716	1.3
158.97380	12.7
162.96951	1.1
165.09091	78.1
167.10757	1.0
176.08156	1.7
176.98427	5.0
183.10146	15.4
186.96849	3.4
201.11153	4.2
204.97963	1.7
216.97902	7.4
221.10277	1.8
222.10608	1.6
224.64026	1.3
234.98958	36.2
237.03149	0.9
239.12715	15.0
239.99484	1.1
249.09804	2.7
250.10034	3.7
253.00105	6.0
257.04678	1.4
257.13791	58.4
258.00583	23.3
258.14069	1.1
271.01196	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1165
Annotation	Obtusaquinol
Peak:m/z	Relative Intensity
52.96482	0.2
53.03949	0.2
55.01864	0.7
55.05493	0.5
57.07057	0.2
59.04959	0.2
65.03921	0.4
67.05489	1.1
69.03420	9.2
69.07047	0.5
71.63010	0.2
79.05474	0.4
80.85831	0.2
81.07027	0.3
84.36987	0.2
91.05476	2.1
92.22653	0.2
93.07024	0.3
95.08595	0.4
97.06452	0.2
103.05457	1.0
105.07000	1.3
107.04958	0.3
107.08556	0.2
109.10116	0.3
110.20281	0.2
115.05431	2.4
116.06226	0.4
117.07011	2.4
119.04918	0.7
119.08556	0.3
121.02834	1.0
121.06458	0.4
121.14409	0.2
128.05356	0.3
128.06206	2.6
129.06989	4.0
131.04884	0.7
131.08559	1.2
132.05696	0.2
133.06453	0.6
135.08043	0.3
137.05943	0.2
141.06970	3.4
142.07758	0.6
143.08551	1.6
144.05661	1.6
145.06482	3.0
145.10120	0.2
146.07271	0.5
147.04402	0.4
147.08023	1.2
152.06177	0.4
153.06950	2.7
154.06580	0.3
154.07756	3.8
155.05969	0.3
155.08527	2.1
156.09282	0.3
157.06483	1.2
157.07562	0.3
157.10094	0.4
158.07257	2.1
158.52547	0.2
159.08034	10.5
161.05963	1.6
162.06747	0.3
163.07472	0.5
165.06958	2.7
166.07784	1.6
167.08571	1.1
168.05626	0.4
168.09340	0.7
169.06442	0.8
169.10123	3.0
170.07315	0.2
170.10931	0.2
171.04385	0.5
171.08040	2.7
171.11685	0.2
172.05251	0.5
172.08804	1.7
173.05983	2.9
173.09592	2.5
174.06723	0.3
175.07530	4.8
176.08264	0.5
178.07764	3.0
179.08534	6.2
180.09280	0.8
181.06465	3.9
181.10051	1.7
182.07228	2.6
183.08047	3.0
184.05435	0.3
184.08778	0.5
185.05994	1.5
185.09624	1.1
186.06755	1.1
186.10359	1.4
187.07518	2.9
187.11104	0.8
188.08304	0.6
189.05418	0.7
189.09053	0.2
191.07047	0.5
193.10097	0.3
194.07277	0.3
195.08037	1.1
196.08795	5.1
197.05940	0.4
197.09596	5.9
198.06744	0.3
198.10442	1.8
199.07510	6.6
199.11176	0.4
200.08296	1.4
201.05409	0.8
201.09085	1.6
201.12717	2.5
203.07005	5.4
207.08035	1.6
208.08832	1.3
209.05971	0.5
209.09547	1.0
210.06755	0.5
211.07608	3.3
211.11139	10.2
213.05467	0.5
213.09088	2.7
214.09860	4.6
215.07011	2.0
215.10605	2.0
216.07764	0.5
223.07564	0.3
224.08292	4.2
225.09077	4.9
226.09839	4.4
227.06995	15.5
229.12201	29.2
230.12422	0.2
239.10634	13.9
241.08546	1.6
242.09351	13.8
243.10034	1.3
257.11682	100.0
258.11993	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1164
Annotation	Obtusaquinol
Peak:m/z	Relative Intensity
55.01852	0.6
55.05490	0.4
60.94945	0.3
67.05483	1.1
69.03419	9.2
69.07053	0.5
70.06567	0.3
79.05461	0.6
91.05464	2.8
98.20713	0.9
101.20702	0.3
103.05455	0.8
105.07032	0.8
107.04906	0.4
115.05431	2.9
116.06234	0.6
117.07011	3.1
119.04903	0.8
119.08506	0.3
121.02819	0.9
128.06200	2.8
129.06976	5.0
130.07718	0.4
131.04910	0.6
131.08534	1.3
135.04321	0.3
141.06956	3.2
142.07712	0.6
143.08525	1.9
144.05678	1.6
145.06465	3.8
145.10100	0.8
146.07195	0.4
147.04355	0.4
147.08006	1.2
152.06183	0.5
153.06967	2.6
154.07742	4.1
155.06007	0.4
155.08528	2.0
157.06476	1.1
157.10049	0.3
158.07216	1.7
159.08026	10.9
161.05995	1.4
162.06787	0.3
163.07483	0.4
165.06961	2.8
166.07736	1.5
167.08543	1.4
168.05583	0.3
168.09315	0.7
169.06448	0.7
169.10106	3.1
171.04381	0.6
171.08026	3.0
172.05119	0.4
172.08801	1.5
173.05968	3.6
173.09549	2.3
174.06633	0.3
175.07520	5.3
176.08226	0.7
177.53929	0.3
178.07774	2.8
179.08537	5.6
180.09242	1.2
181.06442	3.6
181.10092	1.4
182.07211	2.3
183.08011	3.5
185.05968	1.6
185.09572	1.0
186.06706	1.0
186.10338	1.8
187.07545	3.3
187.11128	0.7
188.08234	0.7
189.05493	0.5
194.07294	0.4
195.07988	1.3
196.08813	4.5
197.05928	0.4
197.09592	5.5
198.10396	1.9
199.03973	0.4
199.07498	6.3
199.11102	0.4
200.08284	0.9
201.05496	0.8
201.09172	1.9
201.10823	0.4
201.12724	1.9
203.05241	0.6
203.06992	6.8
207.07925	0.9
208.08821	1.0
209.09607	1.0
210.06773	0.5
211.07535	2.8
211.11133	10.2
212.04478	0.6
213.09052	2.6
214.09868	5.6
215.06972	2.1
215.10550	2.1
221.07918	0.3
224.08276	3.7
225.09071	5.0
226.09814	4.1
227.06979	15.4
227.10432	0.6
229.12196	33.9
239.10620	13.2
241.08621	1.9
242.09335	12.8
243.09987	1.0
257.11673	100.0
257.26660	1.1
258.12109	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	256.263
Annotation	Hexadecanamide
Peak:m/z	Relative Intensity
53.03921	1.2
55.05502	44.1
56.05014	1.6
57.07067	20.8
57.93539	0.9
60.04498	3.5
62.06080	52.7
67.05482	3.3
69.07058	48.1
70.06576	1.5
70.21667	4.0
71.08615	10.6
74.06068	2.4
81.07044	4.6
83.08607	44.0
84.08947	1.0
85.06516	1.0
85.10150	2.8
88.07587	1.6
89.05992	1.1
93.07028	1.4
95.08583	5.5
97.10156	26.0
98.21401	1.4
109.10123	2.3
111.11697	7.3
116.97219	1.7
117.07014	1.2
119.08552	1.1
125.13258	1.5
131.08566	1.2
145.10100	2.6
159.11649	1.0
203.06999	1.2
203.17912	1.6
212.23698	31.6
213.23994	1.1
218.03131	2.2
231.06480	2.3
256.26315	100.0
257.18991	4.2
257.26590	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	256.2267
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	1.6
57.06819	0.3
57.07064	4.5
57.99076	0.3
64.95232	0.3
67.05482	0.5
69.03394	0.5
69.07030	1.3
69.65986	2.3
70.06580	22.2
71.08611	1.7
81.06989	0.4
81.74310	0.3
83.08579	1.0
84.04465	0.3
84.08128	15.0
85.10156	0.6
86.06038	1.3
87.04446	2.1
95.08555	0.5
98.06040	8.1
100.54140	0.4
107.08495	0.5
108.34396	0.3
116.07072	1.2
139.01828	0.4
150.96941	0.4
170.19025	0.7
210.22131	64.0
211.22470	1.0
212.20093	0.6
229.13345	0.4
238.21629	0.8
239.12862	0.4
256.22675	100.0
257.08008	1.3
257.18982	0.5
257.23029	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	256.2268
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93510	0.2
55.05504	6.9
56.04776	0.3
56.05029	4.1
57.07069	7.7
58.06593	8.1
67.05499	1.2
69.07060	8.4
70.06584	12.3
71.05010	0.3
71.08621	2.8
71.62646	0.5
72.08144	0.6
73.28275	0.2
74.06069	1.1
79.05485	0.2
79.21789	0.2
81.07026	0.9
83.08610	4.8
84.08130	1.4
85.10170	1.0
88.07621	16.3
90.05538	2.9
91.05483	0.3
93.07047	0.4
95.08604	1.0
97.10163	3.5
98.09682	3.0
98.98441	0.3
102.05537	0.5
102.09166	14.2
109.10134	0.5
111.11706	1.0
112.11234	2.5
114.12760	0.3
117.06976	0.4
126.12743	0.3
131.08549	0.4
137.09659	0.2
143.08600	0.3
145.10155	0.4
159.11671	0.3
162.03351	0.5
169.10117	0.3
183.11732	0.3
185.13263	0.4
185.44507	0.2
191.97185	0.3
210.01965	0.3
210.22137	21.0
211.22536	0.2
212.23698	1.0
222.09743	0.2
226.17459	0.3
232.22113	0.2
238.17937	0.3
239.10739	0.2
255.75612	0.3
256.06577	0.5
256.22726	40.7
256.26331	100.0
257.18921	0.9
257.23004	0.7
257.26672	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.0971
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	2.2
56.96547	0.4
57.03430	3.3
57.61111	0.2
59.04995	0.5
61.02906	1.1
64.26413	0.2
64.37553	0.2
65.21868	0.2
69.03420	1.7
69.07048	0.3
69.75564	0.3
69.75970	0.9
71.01340	0.7
73.02904	2.3
77.71065	0.2
78.03435	0.8
78.74552	0.2
80.05010	1.6
84.08112	0.3
85.02467	0.3
85.02895	2.3
86.09702	1.7
87.04448	0.3
96.04482	0.7
97.02859	1.0
97.06498	0.2
101.00852	0.5
103.03928	0.3
106.02898	5.3
110.07153	0.2
115.03922	1.7
118.03472	0.4
119.01904	1.9
123.05533	100.0
124.03954	0.8
124.05875	0.8
133.04948	3.1
137.02951	0.6
161.94215	0.2
168.10930	0.2
186.09746	0.5
189.03806	0.4
213.03423	0.3
214.09235	1.1
232.10254	2.7
255.06252	0.5
255.09779	0.4
256.03244	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.0625
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	1.1
57.03424	3.2
57.76437	0.5
57.83745	0.6
69.03413	1.6
71.00851	1.5
71.01320	1.2
73.02901	1.7
80.05017	1.7
82.76551	0.5
85.02885	1.8
86.00661	0.6
96.04487	0.9
97.02843	0.8
101.14977	0.7
106.02905	6.5
115.03925	0.9
123.05531	100.0
124.03890	0.6
133.04912	3.0
243.52434	0.6
248.35973	0.6
255.06261	7.3
255.65042	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.097
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25956	0.2
55.01864	1.8
57.03429	3.4
59.04990	0.4
61.02909	0.7
69.03414	1.7
69.35661	0.6
69.36092	1.5
71.01328	1.0
73.02912	2.2
73.55480	0.2
78.03445	0.6
80.05006	1.9
85.02879	2.2
87.04429	0.3
96.04487	0.7
97.02898	0.9
103.03939	0.4
106.02902	5.7
112.89597	0.3
115.03909	1.4
123.05534	100.0
124.03931	1.2
124.05891	0.8
133.04956	2.9
181.49103	0.2
208.75793	0.2
235.49834	0.2
255.06216	1.5
255.09702	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	254.2108
Annotation	Andrachcinine
Peak:m/z	Relative Intensity
53.03930	1.3
55.01864	0.6
55.05497	1.4
56.05025	1.6
57.07063	0.5
67.05489	0.9
68.05019	2.2
69.03414	1.7
69.07063	0.4
69.98280	2.2
70.02931	4.1
70.06580	14.7
71.04971	1.8
72.04493	4.1
74.06065	0.6
79.05475	0.7
80.05000	47.0
81.03398	1.5
81.07037	1.2
82.06564	1.5
83.04945	0.5
91.05471	0.5
93.07043	0.5
94.39484	0.5
96.04464	0.8
98.06035	64.2
98.21401	0.5
98.98442	4.0
100.07587	2.1
107.08596	0.6
107.56894	0.4
109.10201	0.4
118.88187	0.4
119.67219	0.4
124.07585	0.4
198.18570	0.6
208.20552	0.4
226.21680	0.7
235.03430	0.4
236.20029	3.4
254.21100	100.0
255.17314	0.5
255.21458	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	255.0626
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96547	15.7
62.98244	13.0
63.89185	5.4
71.15674	8.1
71.16012	8.4
87.44918	5.5
98.98465	6.4
99.45599	6.0
112.89570	9.3
119.01895	8.2
126.17152	5.4
144.98726	7.7
156.97520	37.9
156.98636	9.8
158.97069	6.2
164.56279	15.9
165.00755	6.9
170.95796	19.2
170.99136	6.8
174.98517	46.1
182.99028	6.7
183.00783	7.0
187.62570	6.6
189.00107	11.4
194.98949	5.9
196.86604	30.5
201.00122	9.4
208.99644	12.8
213.00066	42.0
231.01170	18.4
237.16666	6.0
254.93968	9.4
255.00946	16.2
255.06267	100.0
272.94296	6.0
273.02484	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	254.1537
Annotation	Nefopam
Peak:m/z	Relative Intensity
55.05500	0.2
57.01667	0.2
67.05481	0.3
69.03407	0.4
69.07085	0.2
69.66670	1.1
69.67085	0.4
70.06587	0.4
72.08159	0.3
79.05460	0.2
81.07030	0.5
84.08109	0.4
86.09679	0.4
87.04455	0.2
91.05474	0.3
93.07053	0.3
95.04958	0.3
95.08595	0.4
97.02823	0.4
98.20715	0.3
98.97536	0.3
98.97886	0.2
98.98471	1.9
105.07005	0.3
107.04951	1.3
107.08652	0.2
110.24991	0.2
111.04417	0.2
116.98628	0.2
119.07288	0.9
120.08067	1.5
121.02930	0.3
123.05566	0.3
125.40576	0.2
129.10210	0.6
139.03847	0.3
141.62770	0.2
146.09636	0.8
147.10408	69.4
148.11209	3.1
155.97766	0.2
177.00676	0.3
191.10556	0.2
210.14764	0.2
211.58078	0.2
213.07730	0.6
222.08240	0.2
222.50249	0.2
231.08955	0.2
236.08994	0.3
254.15369	100.0
255.12180	0.8
255.15727	1.4
255.30545	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	254.0867
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02925	6.3
61.03171	1.2
71.01332	5.8
71.06420	2.6
71.06757	1.8
75.04465	15.2
87.04450	3.8
89.02358	2.7
96.94322	1.3
98.98417	2.2
103.03930	18.7
131.03387	5.7
159.02873	42.4
187.02383	3.0
219.04968	100.0
219.47441	1.3
220.05241	1.6
223.15436	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	254.0867
Annotation	Unknow
Peak:m/z	Relative Intensity
54.34700	1.1
55.01858	1.3
61.02909	5.2
71.01340	5.0
71.06396	2.0
71.06734	1.5
75.04469	12.8
75.30352	1.0
75.44001	1.0
76.49783	1.2
87.04445	3.8
89.02367	3.3
98.98466	2.0
103.03931	17.9
111.07418	1.1
131.03384	4.3
159.02864	47.0
173.30945	1.0
187.02306	2.8
219.04976	100.0
246.94711	1.2
254.08554	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	254.0867
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90325	1.8
55.01846	4.0
56.96554	5.7
57.03429	3.4
59.01338	1.8
59.04988	2.6
61.02915	7.7
68.99778	2.2
69.03419	2.6
70.06579	4.2
70.86384	2.4
70.86719	2.6
71.01342	45.7
72.08130	1.4
72.93775	2.0
73.02883	3.4
75.04473	10.6
77.82890	1.5
84.00829	2.1
84.08141	3.7
85.02891	3.8
85.52811	1.3
86.09685	3.2
87.04436	2.9
88.96442	1.4
97.02905	1.8
98.97546	1.6
98.98496	1.8
99.00780	1.9
101.02367	5.6
103.03928	20.5
106.02899	3.9
110.07153	5.0
111.00758	3.8
113.02345	4.7
113.96355	3.8
116.03419	2.8
117.01842	6.0
119.01878	2.5
119.03370	3.2
123.05534	66.4
127.00249	5.0
129.01804	3.7
129.10199	1.7
131.03380	42.3
132.49754	1.6
133.04950	7.7
136.06194	3.4
141.01788	4.5
143.03387	1.8
143.83380	1.5
144.02831	1.7
145.01312	3.5
145.04950	12.6
149.02969	1.5
149.04364	2.2
157.04936	25.0
159.02863	99.6
161.04225	1.8
163.05975	3.3
163.12248	2.5
173.04469	4.3
176.05516	4.1
177.03831	2.5
191.05486	14.2
201.03923	4.9
208.14401	3.0
208.99602	3.4
219.04965	100.0
237.06004	14.2
242.94661	1.5
254.15005	5.5
264.61234	1.5
267.00296	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.2157
Annotation	Hydnocarpic acid
Peak:m/z	Relative Intensity
53.03937	2.6
55.05502	74.1
57.03424	3.8
57.06805	2.8
57.07066	18.9
67.05492	45.8
69.07058	100.0
71.04982	6.4
71.07883	3.7
71.08617	5.9
71.53275	2.4
73.06565	2.7
79.05476	23.3
79.79876	1.6
81.06566	4.1
81.07044	78.4
81.07514	4.4
81.55597	2.0
83.04971	4.0
83.08607	70.3
83.09109	3.5
85.06525	9.4
85.10156	2.7
91.05463	20.7
91.84039	1.6
93.07029	32.9
95.08593	77.5
97.06520	10.7
97.09532	2.8
97.10156	55.9
97.10765	3.5
98.98455	36.2
99.04480	2.1
99.08102	5.1
101.06026	2.5
105.07011	23.0
107.08576	24.8
109.06494	5.5
109.10136	35.7
111.08064	11.7
111.11723	20.4
113.09650	4.0
115.07517	3.7
119.08565	23.3
121.10127	34.9
123.08065	5.7
123.11703	15.3
125.09614	5.4
125.13261	8.2
127.07549	2.5
133.10114	29.4
135.11674	32.5
137.09595	9.0
137.13249	12.1
139.11168	11.2
147.11662	22.9
149.13269	6.1
151.11172	11.6
151.14799	7.8
153.12708	7.2
161.13216	17.3
165.12714	10.0
167.14362	2.7
174.99348	2.6
175.14825	8.2
177.16341	2.8
179.14270	7.8
189.16393	2.8
191.17941	5.9
193.16010	2.3
193.19548	6.7
217.19475	52.0
218.19460	1.8
235.20526	39.2
253.04671	6.5
253.21588	34.1
254.21191	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	253.2157
Annotation	Hydnocarpic acid
Peak:m/z	Relative Intensity
50.06381	1.5
53.03935	3.9
53.45806	1.5
55.01838	2.1
55.05503	22.8
57.07068	22.9
62.58810	2.1
67.05496	62.5
69.03415	2.8
69.07056	33.0
69.27662	1.9
69.28006	19.6
71.04980	2.9
71.08619	12.0
73.02907	3.1
75.14268	1.4
78.11111	1.4
79.05481	12.2
80.09620	1.5
81.03401	3.0
81.07042	96.2
81.81035	2.0
83.04970	3.7
83.08611	21.9
84.52293	1.6
85.06548	2.0
85.10165	6.5
91.05454	5.5
93.07037	8.8
95.04939	5.9
95.08588	100.0
97.06504	3.2
97.10147	16.9
98.06014	1.7
98.98450	77.9
99.04446	2.6
105.04559	1.8
105.07033	8.4
107.08554	5.8
108.45427	1.5
109.06492	5.4
109.10137	58.0
111.08124	1.7
111.11688	7.5
116.99469	4.5
117.80515	1.6
119.08554	5.7
121.10129	6.7
123.08034	3.7
123.11693	22.5
124.70329	1.4
125.13241	2.6
127.07536	1.5
129.08739	1.7
133.10130	8.2
135.11639	5.5
137.09576	3.5
137.13206	11.7
139.11086	1.7
139.71709	1.5
141.05453	1.7
147.11668	4.6
151.11137	3.3
151.14769	7.3
152.31419	1.8
161.13237	4.1
175.14798	2.8
176.98930	1.9
193.19461	2.5
197.11661	3.5
200.83746	1.6
206.98921	3.0
207.21001	15.6
217.19510	11.1
232.02464	2.0
235.20576	11.8
253.21535	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	253.1429
Annotation	3alpha-Hydroxyoreadone
Peak:m/z	Relative Intensity
51.81594	0.9
53.03925	2.9
55.01848	3.9
55.05502	7.2
55.48949	1.2
56.05021	2.2
57.07062	1.9
58.22724	0.9
64.16139	1.0
67.05494	12.6
69.03416	5.4
69.07062	5.6
70.06558	1.2
70.22037	5.1
71.04974	8.4
79.05061	1.2
79.05477	18.7
81.03397	2.6
81.07041	47.7
83.04948	5.4
83.08585	5.5
84.08116	1.2
85.06522	4.6
86.09699	1.2
91.05469	16.2
93.06465	2.2
93.07030	40.7
95.04952	14.1
95.08031	1.9
95.08590	20.3
97.02886	2.0
97.06519	14.5
98.98450	74.1
99.04419	7.8
100.98926	1.1
103.05441	1.2
105.07013	27.4
107.04925	7.3
107.08576	18.6
109.02890	2.1
109.06496	31.9
109.10125	7.2
111.04461	1.2
111.08055	3.5
113.05975	4.2
114.34500	1.0
116.99472	2.4
117.05354	1.1
117.06997	2.9
119.08564	13.9
121.06486	100.0
121.10110	3.4
123.04398	3.5
123.08026	7.0
123.11724	3.0
125.05965	4.4
127.06658	1.8
127.07510	10.8
129.06970	4.7
131.08530	4.8
133.06441	4.4
133.10115	10.7
135.04382	5.9
135.08040	9.6
135.11681	1.9
137.05965	5.1
137.09566	2.6
139.07520	15.3
141.05414	3.8
141.06944	1.2
142.07771	3.9
143.06992	1.8
143.08516	6.8
145.06422	1.5
145.10080	6.1
147.08031	4.6
147.11656	25.7
151.07503	2.3
151.11131	1.4
153.09167	1.4
155.08580	1.5
156.09340	3.2
157.06503	1.2
157.08694	2.3
157.10101	13.4
159.08028	1.7
160.08873	1.0
161.05980	1.9
161.09579	2.4
161.13226	12.0
163.14780	1.3
165.07014	1.8
165.12711	5.7
166.07764	3.8
171.07988	2.0
171.11662	14.8
173.09595	2.6
173.13268	1.8
174.99184	1.9
175.11156	16.2
176.98872	1.7
177.12682	1.2
181.10112	7.0
184.08759	2.2
186.09653	1.0
189.09125	1.3
189.12704	26.5
189.14400	1.7
191.10626	1.4
193.12187	15.5
194.15303	2.3
197.11711	1.9
199.11148	34.2
207.13809	9.8
211.13301	1.4
212.16359	2.1
217.12207	95.6
226.37148	1.1
235.13252	52.5
253.14284	31.6
254.17451	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	253.1432
Annotation	Fascicularone A
Peak:m/z	Relative Intensity
53.03928	2.2
55.01866	5.6
55.05498	7.2
56.96544	0.9
57.03422	1.5
57.07072	4.0
67.05492	12.4
69.03421	4.7
69.06762	0.8
69.07059	8.3
69.07636	0.8
70.06577	1.5
71.04980	7.2
71.62092	1.0
71.62463	1.2
79.05480	17.2
81.03385	2.5
81.07043	31.5
83.04971	5.9
83.08611	4.4
84.04485	1.3
84.08131	1.0
85.02876	1.9
85.06522	5.0
91.05463	15.2
93.07025	39.4
95.04949	10.4
95.08588	23.1
97.02871	2.0
97.06505	9.6
97.10134	1.0
98.09550	0.8
98.98449	100.0
99.04433	8.0
100.11239	2.0
101.00443	0.8
101.05992	2.0
103.05470	1.0
105.07012	21.6
107.04948	4.4
107.08565	17.2
109.02847	2.9
109.06497	18.8
109.10150	5.6
111.04436	1.0
111.08060	4.1
113.06023	1.0
114.35104	0.8
116.94781	0.8
116.98591	3.0
116.99485	4.3
117.06985	2.8
119.02615	0.8
119.04897	2.3
119.08554	15.9
121.06487	39.9
121.10132	6.3
121.10860	1.0
123.04383	2.0
123.08080	4.4
123.11668	2.8
125.05969	2.4
125.09615	1.4
127.07540	10.0
128.06178	2.1
129.06953	3.5
131.08540	4.3
133.06470	2.8
133.10114	14.0
134.99579	1.6
135.04375	3.2
135.07094	1.0
135.08041	13.2
135.11627	2.0
137.05943	2.8
137.09589	1.9
139.07515	11.5
140.01082	1.5
141.05447	2.8
141.06963	0.9
142.07709	3.0
143.07007	1.2
143.08536	7.0
145.10110	6.2
147.08003	3.9
147.10471	1.3
147.11661	26.5
149.03851	0.8
149.06027	1.4
149.09534	1.6
149.13200	2.9
151.07553	1.4
151.11150	1.4
153.09071	2.1
155.08453	1.1
156.09288	2.1
157.10094	12.9
158.99626	1.5
159.08060	1.5
159.11624	1.1
161.05928	1.6
161.09607	3.7
161.13234	7.4
163.03836	2.5
163.07481	1.0
163.11104	1.6
165.12720	9.1
165.56311	0.9
166.07701	1.5
171.11662	15.1
171.14847	1.1
173.09566	3.1
173.13231	1.9
174.99142	3.1
175.11162	16.7
175.14824	1.2
176.98865	3.1
177.00674	2.3
179.06995	0.8
179.10660	1.2
181.10051	2.6
183.13739	1.1
184.08717	1.5
189.12730	17.2
191.14214	1.8
193.12199	9.6
195.09979	1.0
197.11649	4.4
199.11134	18.6
199.12831	1.4
207.06401	4.3
207.13756	9.6
210.14719	1.1
211.13220	1.7
217.12213	56.2
218.12546	1.0
221.05627	4.2
230.06238	1.2
232.56445	2.6
235.05882	1.3
235.13251	51.1
235.16983	1.7
235.20435	1.1
241.56860	1.2
253.14278	23.5
253.18082	2.0
253.21567	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1277
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	1.4
55.05505	1.3
56.05019	1.7
56.96551	1.5
57.03417	2.4
57.07060	2.2
58.03573	0.6
59.04995	1.7
60.04512	1.2
60.38046	0.6
61.02909	2.1
67.05489	3.0
69.03411	6.0
69.07045	1.7
69.92715	2.8
69.93123	0.9
70.06577	3.8
71.01322	0.7
71.04990	1.0
72.08138	2.1
73.06541	100.0
74.06085	0.7
76.55831	0.5
79.05477	0.9
81.03406	1.8
81.07043	3.0
84.04499	6.5
84.08130	10.3
84.08609	0.9
85.02890	21.3
85.08452	1.0
86.09695	7.9
91.03946	0.6
91.05477	0.7
91.07574	6.5
95.04993	0.7
95.08585	2.6
97.02888	4.4
98.98447	53.4
99.04459	1.4
100.98885	0.6
102.05542	0.7
103.03930	1.3
103.74567	0.6
106.06528	1.7
107.04958	0.7
107.08616	0.7
109.02875	1.8
109.10118	0.8
110.07160	2.0
112.07593	1.2
116.98716	0.9
116.99516	2.3
119.08611	0.8
120.08093	1.8
121.06540	0.6
121.18763	0.6
123.04397	0.7
123.08072	0.6
127.03876	4.1
129.10228	7.2
130.08607	0.9
131.00169	1.0
133.10124	0.7
134.06010	0.6
136.06160	3.4
136.07585	0.8
137.06532	2.4
141.05461	0.6
145.04970	2.5
149.01241	1.1
150.05501	0.8
152.07092	1.4
159.02927	2.1
166.08717	1.0
166.98364	0.6
171.09192	1.2
174.99220	2.1
175.11948	0.7
176.98982	0.7
184.10703	0.7
188.92511	2.3
197.11789	1.7
201.00693	0.7
219.04988	3.2
230.93402	0.8
235.10852	0.8
253.02269	0.9
253.12096	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	252.1088
Annotation	5'-Deoxyadenosine
Peak:m/z	Relative Intensity
55.01840	0.2
55.05492	0.2
56.05025	0.3
56.96545	0.6
57.03421	0.3
60.04507	0.2
67.05490	0.2
69.03410	0.5
69.07037	0.3
69.70916	0.3
69.71324	0.7
70.06581	1.3
71.04993	0.8
72.08139	1.4
73.02902	1.0
74.06052	0.2
76.00072	0.2
81.03399	0.3
84.04486	0.9
84.08128	2.2
85.02888	0.5
86.09698	2.0
87.05539	0.2
88.03961	0.3
94.04069	0.3
97.02880	0.2
98.06048	0.4
98.97516	0.2
98.98457	5.5
99.04440	0.9
102.05520	0.3
110.07124	0.3
112.07590	0.2
114.09052	0.1
116.07043	0.2
116.58887	0.2
117.05485	2.0
119.03530	0.8
120.08120	0.3
121.05096	0.3
121.61445	0.2
123.04380	0.2
127.03881	0.2
129.10246	1.0
130.04977	0.2
131.00200	0.2
132.95844	0.2
136.06166	100.0
137.04549	0.5
137.06491	0.6
150.05499	0.2
151.01413	0.2
155.02170	0.1
163.97702	0.6
166.08734	0.1
174.99278	0.2
175.11955	0.3
176.99025	0.2
177.00626	0.2
181.98770	0.2
186.96799	0.3
195.06781	0.1
204.97760	0.3
205.98830	1.1
229.00258	0.6
244.53378	0.2
252.02350	0.2
252.10878	2.8
252.16016	0.4
258.14194	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	252.0863
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12075	0.4
60.18968	0.4
66.17245	0.4
68.99804	0.5
69.92567	0.8
69.92976	2.1
70.02944	0.8
70.06568	1.1
72.08129	0.7
79.05477	0.6
84.04472	0.7
84.08134	2.5
85.02871	0.4
86.09691	2.6
87.00806	3.3
91.05470	1.3
93.07025	1.1
98.97842	0.8
98.98453	10.5
103.05452	6.4
116.99468	0.4
118.06525	10.3
120.08083	100.0
121.08411	0.6
128.04993	0.6
129.10187	1.2
130.06494	0.5
136.06207	0.6
146.05981	16.5
161.05942	0.5
166.08641	2.4
176.98775	0.4
188.07025	15.5
192.06531	0.9
203.12061	0.4
205.98763	1.0
206.08087	76.8
207.08339	0.7
216.06512	0.5
229.00122	0.6
234.07625	2.1
252.08861	1.7
252.16171	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	252.0862
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05489	0.4
59.26473	0.3
67.05492	0.4
69.03417	0.4
69.07046	0.4
70.02940	0.6
70.06577	1.3
71.62661	0.3
72.08126	0.8
79.05471	0.4
80.49142	0.3
81.07027	0.4
84.04509	0.6
84.08134	2.1
85.02898	0.8
86.09688	3.4
87.00818	2.9
89.01124	0.3
91.05468	0.9
93.07040	1.5
97.06508	0.3
98.98445	12.2
103.05447	5.5
107.04942	0.5
116.99473	0.4
118.06527	9.3
120.08082	100.0
121.08429	0.9
128.04951	1.1
129.10201	1.3
131.04929	0.3
136.06157	0.9
145.06435	0.4
145.96667	0.5
146.05981	17.3
149.05997	0.4
163.97723	0.7
164.07024	0.4
166.08592	1.8
176.28708	0.3
188.07036	16.0
192.06503	1.3
194.12064	0.4
205.98837	1.6
206.08084	69.8
207.08354	0.6
229.00349	0.9
234.07526	2.3
252.08615	1.5
252.16196	0.6
252.23068	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.2003
Annotation	roughanic acid
Peak:m/z	Relative Intensity
50.77790	0.7
53.03927	0.9
55.05502	9.1
57.07071	2.9
59.04990	1.5
65.03938	2.0
67.05495	100.0
69.07059	7.7
69.60909	2.0
69.61321	3.3
71.04988	2.7
79.05483	12.2
81.07044	94.9
83.04964	1.5
83.08624	4.3
85.06540	2.2
91.05475	4.7
93.07037	17.9
95.04929	1.2
95.08592	71.3
97.06532	1.7
97.10159	2.5
98.98453	50.6
99.04465	0.7
99.08082	0.7
101.06013	0.6
105.07037	3.2
107.08588	12.8
109.06480	1.5
109.10139	45.3
110.10486	0.7
111.08075	0.8
113.06004	0.9
116.99498	2.6
117.06997	2.1
119.08572	3.9
121.10122	12.2
123.08039	1.1
123.11690	27.2
125.09653	1.2
131.08536	5.8
133.10083	3.9
135.08043	1.9
135.11668	11.5
137.09584	1.6
137.11821	0.7
137.13223	6.3
141.09157	1.0
144.65536	0.7
145.10133	3.9
147.11659	1.7
149.09608	3.2
149.13240	6.2
151.11131	2.0
153.09163	1.0
159.11653	4.8
163.11128	3.7
163.14738	0.7
163.97635	1.0
167.10687	2.5
173.13271	3.1
174.99226	2.8
177.12717	3.9
181.12177	3.0
187.14865	0.8
189.16335	1.3
191.14226	1.2
191.17908	2.5
195.13797	5.5
205.19272	0.9
205.98743	2.1
209.15306	1.9
215.17908	6.5
229.00294	1.4
233.18964	7.2
241.98796	1.0
250.98598	0.7
251.20026	50.7
252.20392	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.2001
Annotation	roughanic acid
Peak:m/z	Relative Intensity
53.03933	1.6
55.05255	1.0
55.05501	16.4
56.96531	1.2
57.03412	1.8
57.07067	1.7
59.04984	1.4
65.03918	2.2
65.51138	0.8
67.05495	78.7
69.03419	1.3
69.07056	14.7
70.06660	1.8
70.07098	3.1
71.04965	2.2
79.05478	28.9
81.07043	73.0
83.04950	2.4
83.08606	19.8
84.08105	1.1
85.06507	2.6
91.05460	17.0
93.07029	33.3
95.04950	3.9
95.08592	68.2
97.06518	11.3
97.10165	6.1
98.98450	100.0
99.08065	3.4
104.85053	0.9
105.07021	8.8
107.08578	22.0
109.06472	2.5
109.10137	31.9
111.08064	9.2
113.09574	1.0
116.99479	3.3
117.06953	1.7
119.08562	11.3
121.10125	30.6
123.08022	2.3
123.11678	10.0
125.09589	3.8
131.08539	4.0
133.09114	1.1
133.10110	17.7
135.08023	1.6
135.11671	17.8
137.05879	1.7
137.09581	5.7
137.13260	3.1
139.11115	2.3
140.01048	1.5
145.10080	6.3
147.11687	5.5
149.09625	1.4
149.13255	5.5
151.11163	6.4
153.12671	1.1
155.10677	0.9
159.11647	4.4
163.11183	1.1
163.97626	1.4
173.13229	4.4
174.99261	4.9
177.05449	0.9
177.12718	1.5
181.08624	1.1
187.14778	2.4
189.16275	1.0
191.14214	1.6
191.17941	2.2
195.13766	2.1
205.98714	3.3
215.17921	19.4
229.00293	1.1
233.15366	2.2
233.19002	12.2
234.14684	0.9
251.02153	1.2
251.09172	0.9
251.16469	3.6
251.20010	42.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.2002
Annotation	roughanic acid
Peak:m/z	Relative Intensity
53.03936	1.7
55.01855	1.1
55.05503	14.4
57.03429	1.1
57.07061	2.1
59.04988	1.7
64.46473	0.7
65.03922	2.6
65.70790	0.7
67.05494	100.0
68.05804	0.7
69.07054	13.9
71.04971	2.3
71.14078	2.0
79.05047	1.4
79.05481	21.5
81.07043	96.4
83.04951	2.4
83.08604	14.8
85.06523	2.4
88.77195	0.8
91.05464	13.5
93.07027	26.8
95.04954	2.0
95.08591	85.6
97.06510	7.9
97.10152	6.0
98.98453	68.3
99.08076	2.6
100.60208	0.7
105.07023	8.9
107.08581	18.0
109.06510	1.2
109.10137	40.4
111.08070	6.5
116.99492	2.8
117.06980	1.5
119.08568	10.0
121.06580	0.8
121.10122	22.3
123.08039	2.6
123.11681	14.2
124.55811	0.6
125.09612	2.7
127.07490	1.0
131.08557	4.1
133.10107	19.0
135.08029	1.5
135.11670	15.2
136.52931	1.0
137.09586	5.5
137.13228	3.8
139.11194	2.0
145.10083	4.9
147.11644	4.6
149.09607	1.7
149.13251	6.9
151.11143	7.9
151.14748	0.8
152.41415	0.7
153.09164	0.7
155.10660	1.5
159.11671	3.0
163.11143	1.8
165.12770	1.1
167.10690	0.7
167.14262	0.8
169.12309	1.3
173.13223	3.1
174.99222	4.4
177.12709	1.7
181.12135	1.5
187.14816	1.7
189.16286	1.5
191.14415	0.7
191.17885	1.7
195.13823	4.4
205.98651	2.7
209.15344	1.1
215.17886	15.8
229.00348	1.9
233.18964	10.4
251.10532	1.1
251.16408	2.2
251.20016	45.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.2001
Annotation	roughanic acid
Peak:m/z	Relative Intensity
53.03937	0.8
55.01873	1.1
55.05503	9.4
56.96240	0.4
57.03434	1.1
57.07056	2.3
59.04998	0.7
65.03924	1.8
67.05495	100.0
68.05814	0.8
69.03397	0.7
69.07060	7.6
71.04988	2.7
71.62205	0.5
71.62551	0.5
79.05482	16.5
81.07047	95.3
82.07359	0.7
83.04972	1.6
83.08612	4.5
85.06527	2.4
91.05462	5.4
93.07030	22.0
93.07616	1.1
95.04955	1.8
95.08593	73.4
97.06536	2.4
97.10151	3.1
98.98454	45.6
99.04444	0.5
99.08067	0.7
105.07008	4.8
107.04972	0.6
107.08577	15.7
109.06483	1.3
109.10141	48.8
111.08080	1.7
111.11729	0.6
113.06032	0.6
113.09653	0.9
116.99496	1.8
117.06968	2.8
119.08564	4.2
121.06503	1.6
121.10128	14.0
123.08047	1.8
123.11688	27.9
125.09618	0.6
127.07574	0.5
131.08554	6.7
133.10123	5.9
135.08020	2.5
135.11673	12.3
137.09607	1.7
137.13242	8.3
139.07552	0.4
139.11208	0.8
140.01068	0.5
141.09074	0.9
145.06355	0.4
145.10106	5.4
147.11642	2.4
149.09581	5.4
149.13248	7.1
151.11165	2.1
151.14809	1.4
153.09073	1.6
153.12723	1.1
159.11650	6.4
161.13229	0.9
163.11183	5.3
163.97623	0.5
165.12675	0.6
167.10677	2.4
173.13248	3.7
174.99197	3.0
177.12741	3.5
177.68573	0.6
179.06889	0.6
181.12213	5.6
187.14774	0.8
189.16463	1.2
191.14308	1.3
191.17906	3.7
195.13763	5.6
205.19487	1.3
205.98663	0.7
209.13333	0.5
209.15338	2.2
209.38423	0.5
215.17915	10.0
233.18965	10.3
251.20030	72.6
252.20360	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.2001
Annotation	roughanic acid
Peak:m/z	Relative Intensity
53.03933	1.0
55.01860	0.9
55.05505	9.1
55.39586	0.4
56.13329	0.4
56.71478	0.5
57.03437	0.7
57.07076	2.4
57.57886	0.4
59.07361	0.5
59.47949	0.4
62.24380	0.5
65.03924	2.0
67.05494	100.0
69.03432	0.8
69.07059	8.8
71.04984	2.2
71.23763	1.2
73.08623	0.5
73.09056	0.5
79.05481	15.3
81.07043	94.1
82.07401	0.6
83.04972	1.8
83.08609	5.1
85.06518	2.8
91.05467	5.6
93.07025	22.8
95.04967	1.5
95.08591	75.2
96.08965	0.6
97.06518	1.8
97.10154	2.1
98.98450	17.2
99.08075	1.2
101.06024	0.8
105.07011	3.8
107.08578	16.2
109.06516	1.5
109.10138	48.2
111.08089	0.9
111.11741	0.7
117.07016	2.3
119.08551	4.7
121.06474	1.4
121.10123	15.8
121.11009	0.8
123.08041	1.4
123.11690	26.7
125.09622	1.0
127.07531	0.8
131.08543	5.9
133.10130	5.0
135.08011	2.5
135.11668	13.8
137.09612	2.0
137.13232	7.6
139.07556	0.6
139.11115	0.6
141.09088	0.5
145.10106	4.7
147.11676	2.7
149.09590	4.8
149.13240	6.8
150.60667	0.5
151.11172	2.0
151.14758	1.2
153.09079	1.6
155.10680	1.1
159.11684	6.5
163.11163	4.7
163.14877	0.6
167.10651	2.5
173.13266	3.6
174.99252	1.0
175.14757	0.8
177.12689	4.1
181.12164	4.8
187.14844	0.7
189.16342	1.2
191.14302	1.6
191.17918	4.1
195.13802	5.0
205.19467	1.5
209.15334	2.0
215.17931	9.5
233.18971	10.0
251.20027	72.1
252.20345	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.2
Annotation	roughanic acid
Peak:m/z	Relative Intensity
53.03917	1.9
55.01831	1.4
55.05493	9.6
56.96537	1.0
57.03414	0.8
57.07041	3.0
59.04980	1.9
59.69701	0.8
62.20806	0.8
65.03896	3.2
65.14043	0.8
67.05488	74.9
69.07049	10.4
69.76305	0.7
71.04948	2.8
79.05473	20.9
81.07036	73.5
83.04939	2.7
83.08599	11.5
85.06506	2.5
91.05447	11.8
93.06472	1.3
93.07021	22.0
95.04942	1.4
95.08584	65.4
96.29387	0.9
97.06515	6.5
97.10159	5.3
98.21501	1.8
98.98442	100.0
99.08086	1.1
105.07004	6.2
106.19881	1.1
107.07872	1.4
107.08565	12.7
109.06459	1.4
109.10133	34.3
111.08063	5.4
113.09624	1.0
116.99455	3.9
117.06973	2.1
119.08562	7.2
121.10117	20.3
121.64460	0.9
123.07994	1.6
123.11672	11.0
125.09566	1.5
131.08548	4.6
133.10106	14.8
135.08043	1.0
135.11661	13.8
137.05940	0.9
137.09576	4.5
137.13176	3.6
139.07393	1.3
139.11096	1.5
140.01018	2.2
145.10062	4.0
147.11583	3.7
149.09569	2.3
149.13214	4.4
151.11177	6.1
151.14832	1.1
155.10619	1.2
159.11636	3.8
163.11115	1.9
163.97725	1.7
167.10567	1.5
167.14359	1.0
169.12239	0.9
173.13231	2.6
174.99208	4.7
177.12642	2.0
181.12154	1.8
187.14738	1.7
191.07120	1.0
191.14180	1.2
191.17906	2.1
195.13641	2.1
205.98682	2.8
207.19809	1.2
215.17905	12.5
229.00417	1.9
233.15237	1.0
233.18958	8.7
251.09050	1.9
251.14293	2.1
251.16278	2.0
251.19966	37.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1639
Annotation	Canusesnol A
Peak:m/z	Relative Intensity
53.03931	1.2
55.01860	1.6
55.05505	5.0
57.03407	0.8
57.07066	6.7
59.04988	5.3
67.05494	8.0
69.03419	6.1
69.06770	1.0
69.07066	9.7
70.06568	0.8
70.23595	3.1
70.24001	1.6
71.01309	1.1
71.04984	29.2
77.03888	0.8
79.05483	7.2
81.03408	1.3
81.07047	10.6
83.04967	7.7
83.08596	5.9
84.08109	1.1
85.02924	1.3
85.06535	7.3
91.05461	8.3
93.07033	10.5
95.04960	9.4
95.08591	12.2
97.02901	0.8
97.06522	10.3
98.20837	1.0
98.98453	100.0
99.04437	2.6
99.08052	1.3
101.05965	1.0
105.07018	10.4
107.04908	2.5
107.08585	12.0
109.06496	4.8
109.10148	10.5
111.08072	7.7
113.06003	4.6
113.09621	0.8
116.99483	2.5
117.06978	2.6
117.54593	0.8
119.04898	0.9
119.08566	16.8
121.06480	2.7
121.10130	20.3
123.08067	6.3
123.11700	4.2
125.05972	11.6
125.09601	1.5
127.07621	0.9
129.06982	1.3
130.07773	1.4
131.08549	6.8
133.06490	1.7
133.10138	7.3
135.07120	0.8
135.08003	4.7
135.11656	5.7
137.05952	4.1
137.09604	24.3
139.07585	0.9
139.11182	0.8
140.01054	1.4
143.08498	1.2
145.10109	13.0
147.08028	35.4
147.09200	1.8
147.11659	8.8
149.09610	8.4
149.13264	1.2
151.07521	3.6
151.11205	1.9
151.14799	1.9
153.09041	1.5
155.10619	1.9
157.10069	2.2
158.10838	1.2
159.08017	2.5
159.11678	2.8
160.08810	1.8
161.09639	1.6
163.07477	0.9
163.11165	30.8
163.14777	1.0
165.09099	2.1
165.12773	0.9
172.12292	0.8
173.09587	2.2
173.13229	3.4
174.99199	5.5
175.11150	8.5
177.05496	1.6
177.09045	1.2
179.14308	9.7
181.12231	6.5
186.64986	0.9
186.96820	1.0
187.11156	1.7
187.14772	4.9
189.12708	1.9
191.10663	2.1
191.14284	6.1
193.12276	4.6
195.06464	2.1
195.10197	2.0
197.13251	1.0
205.08466	1.4
205.12146	1.4
205.15828	3.5
205.98775	1.7
207.13719	3.7
215.10718	1.5
215.14281	6.5
223.16985	1.1
233.11597	1.9
233.15329	37.1
233.18901	1.6
235.13524	0.9
251.09108	1.5
251.12619	2.6
251.16389	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	251.1638
Annotation	Deodardione
Peak:m/z	Relative Intensity
53.03948	0.9
55.01865	0.8
55.05502	6.3
56.96551	0.8
57.03427	0.5
57.07056	0.9
59.04995	2.0
65.03934	0.6
67.05493	5.5
68.36648	0.4
68.42715	0.4
68.99787	0.5
69.03419	2.5
69.06709	0.8
69.07061	10.4
69.63825	3.4
70.06573	0.7
71.04987	2.3
72.08131	0.6
77.03910	0.5
79.05486	9.1
81.03430	0.9
81.07045	10.9
83.04968	11.2
83.08602	0.9
84.08109	1.3
85.06532	1.5
86.09669	0.6
91.05459	6.4
93.07030	28.1
95.04959	4.6
95.08591	8.0
97.02900	0.8
97.06522	4.6
98.98452	78.9
99.04443	2.4
99.08103	0.5
102.06454	0.4
103.05482	0.8
105.07012	9.8
107.04945	3.1
107.08584	7.7
109.06497	5.3
109.10145	2.0
111.04425	12.1
111.08059	2.2
111.11726	3.4
113.05956	0.5
115.05495	0.6
116.99471	3.9
117.06983	3.2
119.04951	1.2
119.08566	4.6
121.06491	6.5
121.10128	37.6
123.04395	0.7
123.08051	2.8
123.11690	1.8
125.05957	1.2
125.09592	1.6
127.07526	1.4
128.06232	0.7
129.07016	1.2
129.10172	0.4
131.08540	3.9
133.06473	1.3
133.10098	2.8
135.08028	2.3
135.11644	2.1
137.05959	2.1
137.09583	1.2
139.07509	3.0
139.11156	2.5
140.01064	0.5
143.08549	1.0
144.09343	0.8
145.02859	0.8
145.06448	1.3
145.10095	9.8
147.08015	1.5
147.11658	1.5
149.05977	0.7
149.09598	15.3
149.13315	0.5
151.07480	1.0
151.11151	0.6
155.07072	0.7
155.08525	0.6
157.08597	1.2
157.09967	0.6
158.07184	0.6
159.08026	1.7
159.11687	4.1
161.09628	0.8
163.07458	0.6
163.11168	6.5
167.10651	100.0
168.10960	0.5
169.10101	1.5
173.09630	3.2
173.13257	1.0
174.99191	4.1
175.11166	1.7
177.05484	1.8
177.09108	1.4
177.12720	1.0
179.08591	0.7
181.12227	0.6
182.07353	0.6
187.07521	0.7
187.11157	7.2
187.14832	1.1
189.12682	1.1
191.10582	3.4
191.14241	0.8
193.12245	1.1
195.06607	0.6
196.85728	0.5
197.09587	1.9
205.12230	4.8
205.98727	0.9
209.11740	1.0
209.81000	0.5
215.10675	8.6
215.14201	1.1
215.17992	1.0
229.00365	0.7
233.07974	1.6
233.11702	7.3
233.15244	2.7
233.18810	0.8
251.08958	2.1
251.12761	3.7
251.16380	16.5
251.20206	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	251.1275
Annotation	Lachnumfuran A
Peak:m/z	Relative Intensity
53.03937	1.3
55.01852	2.7
55.05496	4.1
57.03421	2.3
57.07073	1.0
59.04991	19.8
65.03912	0.8
67.05160	1.0
67.05495	13.2
69.03428	4.3
69.07051	6.4
69.38821	3.9
69.39256	2.7
70.06553	0.9
71.04985	5.0
73.06553	0.7
76.28459	0.6
77.01563	1.0
77.03879	0.7
79.05475	14.2
81.03403	1.5
81.07046	15.2
83.04968	3.2
83.08595	1.3
84.08129	1.0
85.02882	1.0
85.06543	2.7
86.09690	2.4
91.05466	11.9
93.07037	15.7
93.87787	0.8
95.04958	8.7
95.08591	8.3
97.02881	1.1
97.06516	6.2
98.20673	1.2
98.98454	100.0
99.04442	6.5
99.08085	0.9
103.05471	1.0
105.07018	19.4
107.04939	10.6
107.08579	9.3
109.02859	0.8
109.06490	7.7
109.10107	3.6
110.07155	1.3
111.04436	1.6
111.08075	2.2
113.05997	1.8
115.05424	1.1
116.99477	3.8
117.07004	9.1
117.09129	3.0
119.04932	1.6
119.08565	8.2
120.08029	1.1
121.06484	10.7
121.10141	5.6
123.04445	0.9
123.08040	2.6
123.11710	1.6
125.05968	2.0
127.07494	1.2
128.06216	2.0
129.06966	3.3
130.07771	2.7
131.08556	11.8
133.06480	3.1
133.10129	4.6
135.08032	4.8
135.11717	4.5
137.05925	4.5
137.09570	1.6
139.07513	2.9
140.01161	1.4
141.06993	1.9
143.08569	3.1
144.09311	3.3
145.06474	4.2
145.10103	36.2
146.10451	0.9
147.04425	1.0
147.08025	2.8
147.11671	4.0
148.08803	1.6
149.05960	2.5
149.09631	2.9
149.13216	1.6
151.07529	1.9
151.11226	0.9
154.07736	1.9
155.08594	1.4
157.06503	1.1
157.08687	1.1
157.09975	0.9
158.07271	1.4
159.08072	2.6
159.11671	15.6
161.05956	5.8
161.09639	1.8
161.13226	1.3
163.07533	2.1
163.11159	60.4
164.11531	1.3
169.10110	4.6
171.11633	1.2
173.06013	1.0
173.09622	13.1
173.13275	1.7
174.06747	1.9
174.99231	6.3
175.07576	1.1
175.11169	1.0
177.05453	0.9
177.12773	2.6
181.12186	1.5
187.07561	1.7
187.11148	25.4
187.14850	1.9
189.09070	3.3
189.12753	2.2
190.05008	0.8
190.07802	0.8
191.06984	1.3
191.08609	2.1
191.10625	13.8
193.12350	0.9
197.09576	3.8
203.06976	1.0
205.08528	2.6
205.12207	13.2
205.13933	1.2
205.15965	1.1
215.10654	23.7
215.14046	1.3
215.18002	2.8
219.08221	1.5
233.04559	1.6
233.08214	13.0
233.11667	17.5
233.15240	3.7
233.19017	3.5
251.02171	0.9
251.08789	10.6
251.12756	9.3
251.16161	4.9
251.20120	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	251.1276
Annotation	Pterosin Q
Peak:m/z	Relative Intensity
53.03931	1.3
55.01856	4.2
55.05499	6.4
57.03426	2.3
57.07067	1.8
59.04979	2.0
65.03922	1.3
67.05498	12.3
68.99783	3.3
69.03420	7.0
69.07059	12.9
70.06164	5.1
71.04986	5.4
77.03931	1.0
79.05482	17.4
81.03418	1.1
81.07048	24.4
83.04967	10.1
83.08611	2.5
84.08168	1.1
85.06532	7.3
91.05461	13.8
91.06007	1.4
93.07030	46.9
93.37968	0.9
95.04951	16.6
95.08595	10.7
95.20957	0.8
97.02882	1.3
97.06521	11.5
98.21391	1.4
98.98454	100.0
99.04436	4.6
103.05441	1.4
105.07018	26.7
107.04939	8.9
107.08586	16.8
109.06504	19.3
109.10148	3.8
111.04428	7.7
111.08067	6.8
111.11726	1.3
113.05978	3.2
115.05432	1.1
116.99500	3.8
117.03384	0.9
117.06994	5.9
119.04169	0.8
119.04913	5.0
119.08562	9.0
121.06485	27.5
121.10132	26.0
121.11007	1.1
123.04401	1.6
123.08048	3.4
123.11699	1.7
125.05984	6.8
125.09596	1.5
127.07527	4.7
128.06194	1.5
129.06992	2.6
130.07787	2.0
130.18442	0.9
131.08549	11.7
133.06453	5.0
133.10106	4.5
135.04413	2.1
135.08037	5.3
135.11685	5.2
137.05966	10.6
139.07509	15.0
139.11165	1.6
140.01117	1.4
141.05418	1.2
141.06975	2.5
143.08536	4.0
144.09329	2.3
145.02803	4.9
145.06471	5.8
145.10103	33.6
147.08028	1.5
147.11655	3.6
148.08824	1.2
149.05975	3.3
149.09596	8.6
149.13269	1.9
151.07552	2.9
153.05399	1.2
154.07805	2.8
155.07042	1.7
155.08534	2.4
156.09319	1.6
157.08594	10.2
157.09915	1.1
158.07256	2.0
159.08037	4.6
159.11685	18.7
161.06003	1.3
161.09627	2.0
161.13228	1.7
163.07535	2.3
163.11156	26.1
163.97827	1.4
167.10660	55.1
169.10078	6.3
171.07991	1.0
171.11636	1.6
172.08815	2.4
173.09579	13.9
174.99228	5.0
177.05467	12.3
177.09090	1.0
177.12695	5.5
179.08545	4.0
181.12158	4.2
182.07231	1.7
187.11156	36.2
187.14822	1.6
189.12775	1.7
191.10652	14.5
193.12236	1.1
195.06525	3.2
197.09578	11.7
199.62582	1.0
205.08694	1.5
205.12222	19.9
205.15825	1.2
209.11703	4.6
215.10637	36.9
215.14017	1.3
223.13327	1.1
233.07990	3.0
233.11700	24.4
233.15398	3.6
251.08958	4.1
251.12743	22.2
251.16414	9.5
251.20061	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	251.1274
Annotation	Methylripariochromene A
Peak:m/z	Relative Intensity
50.27380	0.4
53.03942	0.8
55.05509	0.8
67.05499	1.8
69.07056	81.1
69.46159	1.4
69.46578	2.5
77.01611	0.5
79.05476	3.1
81.03424	0.8
81.07045	4.5
91.05467	6.0
93.07031	2.0
94.04183	1.2
95.04962	1.7
95.08596	1.4
98.98449	20.4
103.05473	1.1
105.07017	1.2
106.04148	3.7
106.53385	0.4
107.04948	3.0
109.06490	5.0
109.10178	0.6
111.04449	0.5
111.08099	0.8
117.07024	0.6
119.04955	0.7
119.08563	1.0
121.06480	11.6
122.03621	1.8
123.08088	0.7
125.05978	1.5
131.04907	5.1
131.08508	0.8
133.02818	4.7
134.03627	1.3
135.04387	0.7
136.05170	1.3
137.05954	100.0
138.06297	0.7
145.06441	2.3
145.10123	1.2
147.04399	0.9
147.08058	1.4
149.02304	0.7
149.05956	7.6
150.03160	0.8
151.07524	1.6
155.08527	0.7
159.04379	1.8
162.03110	2.7
163.07532	4.1
164.04665	6.3
165.05460	3.8
166.06253	0.9
167.07056	2.2
168.04152	2.5
172.08820	0.7
173.09596	1.7
174.45337	0.5
174.99197	1.2
175.07576	1.3
177.05437	32.9
178.09892	2.4
183.06497	4.8
187.11197	4.1
193.12218	10.6
195.06496	61.7
196.06775	0.6
201.09032	1.6
205.12209	6.2
209.07985	0.5
211.13264	0.5
215.10657	0.8
230.81218	0.5
233.11688	7.9
233.15355	0.9
235.81438	0.5
236.72391	0.5
251.12740	46.2
251.21951	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1273
Annotation	Norsecoglutinosone
Peak:m/z	Relative Intensity
55.01874	0.7
55.05491	0.9
56.96553	1.2
59.04989	2.0
67.05493	3.5
69.03429	0.7
69.07065	0.9
69.23880	0.5
69.48862	1.7
69.49272	3.8
70.06551	0.9
71.04984	1.5
71.08620	0.7
79.05490	2.2
79.69873	0.6
81.07041	3.0
83.04967	1.5
91.05457	2.1
93.07015	2.4
95.04948	1.7
95.08592	2.9
97.06486	1.0
97.99113	0.8
98.98449	100.0
105.07000	4.5
105.25352	0.6
107.04924	1.6
107.08576	1.5
109.06528	1.1
109.10149	1.4
116.99493	5.7
117.07003	1.5
119.08513	1.5
121.06487	9.3
121.10124	1.9
125.05941	1.0
131.08549	1.6
133.06451	2.0
133.10103	0.9
135.08032	1.4
137.05949	5.4
140.01076	1.7
143.08540	0.7
145.06456	3.4
145.10123	1.9
147.11589	0.7
148.52216	0.6
149.05962	11.2
149.09566	0.7
151.07539	1.4
157.09981	0.6
159.08057	0.9
159.11688	0.7
161.05960	29.6
163.07516	1.5
163.11136	2.5
163.97661	1.2
164.41997	0.6
170.11725	0.6
173.05919	1.9
173.09572	1.0
174.99210	5.1
175.07550	1.1
177.09084	1.9
179.07001	16.5
181.12366	0.8
187.07434	1.3
187.11116	2.4
189.09138	0.8
191.07001	17.0
191.10628	10.1
205.12173	2.7
205.98759	2.5
215.10628	6.1
215.14272	0.7
215.93738	0.6
229.00293	0.9
233.08194	5.1
233.11708	19.3
233.15335	2.1
233.18950	0.7
234.12012	0.7
251.09146	2.9
251.12732	74.7
251.16299	3.4
251.19930	2.4
252.13092	1.3
259.88861	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	250.1283
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25258	0.2
53.03937	0.3
55.05509	0.2
57.03421	1.0
61.02915	0.7
61.42841	0.2
69.03424	2.2
70.02940	0.3
70.06586	2.9
70.12673	1.1
73.02903	0.4
81.03400	0.7
84.04440	0.2
84.08138	0.5
85.02894	13.4
86.09721	0.5
88.07618	100.0
89.07937	0.3
97.02877	2.6
98.20784	0.3
98.98455	8.7
99.04458	0.3
109.02847	1.6
116.99529	0.4
117.13587	0.3
127.03911	2.1
132.95863	0.3
136.06165	7.0
145.04929	1.4
174.99228	0.6
205.65276	0.3
206.11754	1.0
209.01053	0.3
235.19362	0.3
250.09254	2.0
250.12863	0.9
251.02112	0.3
251.09235	0.4
258.96045	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	250.093
Annotation	8,5'-Cda
Peak:m/z	Relative Intensity
57.03432	0.7
67.01856	1.3
70.06580	0.6
71.42205	0.4
81.07033	0.3
83.01357	0.2
85.02899	0.4
88.07632	0.8
94.04052	0.4
97.02891	0.5
98.98450	6.0
116.99425	0.3
119.03527	0.5
126.34084	0.2
132.95845	0.3
136.06160	100.0
137.04581	0.7
150.96878	0.3
154.86275	0.2
171.99031	0.2
174.99225	0.4
206.11720	0.5
250.09302	20.7
250.21475	0.2
251.02119	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1846
Annotation	Hexadeca-4,7,10,13-tetraenoic acid
Peak:m/z	Relative Intensity
53.03925	2.8
53.61034	0.9
55.01852	2.2
55.05504	15.7
56.57426	0.9
57.07063	2.4
59.04980	3.6
67.05495	22.9
69.03417	1.4
69.07058	19.7
69.70345	0.9
69.97858	5.3
71.04981	2.6
71.08625	6.4
79.05483	43.0
81.03406	2.1
81.07044	29.9
83.04980	3.1
83.08605	12.5
85.06513	2.5
87.04456	1.3
91.05466	24.9
93.07030	59.8
95.04964	5.6
95.08041	1.8
95.08594	24.0
97.06505	4.8
97.10137	3.1
99.04430	1.0
99.08071	5.1
105.07016	21.7
107.04913	1.2
107.08578	35.1
109.06490	3.0
109.10146	8.9
110.06863	0.9
111.08060	3.8
117.07010	5.4
119.08562	21.8
120.33569	0.8
121.10126	31.8
123.08024	3.2
125.09595	1.4
127.07568	1.9
128.06190	1.0
129.06984	3.6
131.08577	5.5
133.06464	1.6
133.10118	19.8
135.08018	3.3
135.11674	29.6
137.09573	4.3
143.08542	3.4
145.10088	5.8
147.04373	1.3
147.08035	2.7
147.11667	21.6
149.09587	3.4
149.13222	8.2
151.11172	4.5
153.09065	2.0
157.10110	3.9
159.08009	1.3
159.11729	2.5
161.09596	3.1
161.13240	3.1
163.11113	1.8
163.39792	1.1
165.13947	1.1
167.10677	2.7
171.11647	6.0
175.07457	1.2
175.11185	4.7
179.10648	2.8
180.26805	0.9
181.12238	1.2
185.05994	1.1
185.13239	2.0
187.14827	2.2
188.04659	7.3
189.12773	3.1
189.16345	7.7
193.12196	2.1
203.07004	13.4
203.14287	3.3
203.17917	3.7
204.07529	1.1
205.08577	1.1
207.13791	3.3
208.20441	1.1
213.16388	9.3
231.06497	15.6
231.13841	1.0
231.17421	11.6
232.06805	1.2
234.13916	1.1
249.07596	6.2
249.18472	100.0
250.18715	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1846
Annotation	Hexadeca-4,7,10,13-tetraenoic acid
Peak:m/z	Relative Intensity
51.85723	0.6
53.03930	2.4
55.01864	1.8
55.05257	0.8
55.05503	12.5
57.07071	1.4
59.04988	1.8
61.02880	0.6
65.03933	1.4
67.05494	18.8
69.03419	1.1
69.06709	1.0
69.07056	13.9
69.97465	1.7
69.97877	2.1
71.04977	3.3
73.06528	0.8
77.03921	0.9
79.05482	54.0
80.05850	0.8
81.06563	1.4
81.07045	24.3
81.66103	0.7
83.04964	2.2
83.08603	6.4
85.06533	2.0
85.18787	0.6
87.04446	0.8
91.05466	27.3
93.07030	65.9
94.07359	0.8
95.04961	5.2
95.08587	19.0
97.06512	2.4
97.10157	1.5
101.05969	0.8
103.05454	0.7
105.04492	0.9
105.07017	21.7
107.04945	0.8
107.08579	34.4
109.06508	2.3
109.10143	6.5
111.08052	1.3
115.05446	2.4
117.06995	7.8
119.08560	18.4
121.06499	1.6
121.10131	31.7
123.08050	1.8
123.11653	1.6
128.06219	2.7
129.06970	5.5
131.04889	3.5
131.08575	6.1
132.05695	0.8
133.10114	17.7
135.08043	2.6
135.11676	28.1
137.09590	1.2
143.04846	0.7
143.08551	2.7
145.06464	8.0
145.10088	5.3
147.04393	0.8
147.08026	3.8
147.11664	16.9
149.09583	2.4
149.13220	6.0
151.11069	0.7
155.04849	1.7
155.06023	1.2
157.10138	3.8
159.04353	3.6
159.08047	1.2
159.11659	2.3
160.05182	8.3
161.05952	2.7
161.09584	2.8
161.13229	2.5
163.07542	2.6
163.11131	1.0
167.10635	1.4
171.11679	4.2
172.05168	3.9
173.02356	4.9
173.05907	2.9
174.03094	1.5
175.07515	7.4
175.11122	3.7
177.01878	0.7
179.10651	2.0
181.12169	1.1
183.05679	0.9
185.05963	10.7
185.13206	1.7
187.03876	2.2
187.07495	1.4
187.14825	1.9
188.04659	60.5
189.05069	2.9
189.12712	2.8
189.16347	6.4
193.12138	3.6
203.07001	99.7
203.14323	3.4
203.17928	2.4
204.07367	5.7
205.08559	5.3
206.05721	1.4
207.13818	3.2
213.16344	7.8
216.04103	1.5
231.06490	100.0
231.17299	6.0
232.06908	5.1
232.08989	0.8
249.07573	17.8
249.11302	1.6
249.18462	69.6
250.07910	1.3
250.18764	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1845
Annotation	Hexadeca-4,7,10,13-tetraenoic acid
Peak:m/z	Relative Intensity
51.02369	0.5
53.03921	2.0
55.01846	1.9
55.05264	0.8
55.05502	11.4
56.29163	0.5
57.07055	1.4
59.04973	1.4
65.03915	0.8
67.05163	0.9
67.05493	11.9
69.03410	0.8
69.06715	0.8
69.07059	10.5
71.04978	2.3
71.62955	1.0
73.06513	0.8
77.03909	1.1
78.04668	1.2
79.05480	41.4
81.03366	0.7
81.07043	15.3
83.04961	1.0
83.08601	5.9
85.06503	1.4
87.04438	0.7
91.04883	0.7
91.05465	17.4
93.07029	48.8
95.04974	3.6
95.08591	13.7
97.06496	1.9
97.10130	1.2
103.05438	0.9
104.06210	0.9
105.04474	0.8
105.07015	14.3
107.04918	0.6
107.08576	27.2
109.06538	2.4
109.10125	4.8
111.08096	0.8
115.05395	1.9
117.06998	5.8
119.08561	12.4
121.06438	0.8
121.10123	28.9
122.10415	0.6
123.08028	1.4
123.11658	1.1
123.44105	0.6
127.88874	0.5
128.06194	2.8
129.06996	5.6
131.04889	3.1
131.08511	3.7
132.05637	0.7
133.06473	0.8
133.10107	11.8
135.08003	2.1
135.10663	1.1
135.11659	17.4
137.09616	1.1
138.05409	1.1
143.04907	0.8
143.08536	2.0
144.05698	0.8
145.02849	0.7
145.06454	7.5
145.10056	2.7
147.08034	2.6
147.11662	11.6
149.09615	1.2
149.13242	3.7
151.11171	0.6
153.09085	0.8
155.04865	1.8
155.06018	1.0
157.10114	2.3
159.04398	3.5
159.08038	1.0
159.11688	1.1
160.05161	7.2
161.05948	2.9
161.09572	1.4
161.13220	1.3
163.07518	3.6
163.11200	0.9
167.10664	1.0
171.04343	0.8
171.11674	3.4
172.05220	4.6
173.02322	4.6
173.05923	3.2
173.30219	0.5
174.03040	1.3
175.07495	6.3
175.11147	2.1
177.09044	1.6
179.10683	1.0
183.05452	0.9
185.05945	9.8
185.13237	1.4
187.03891	1.7
187.07597	1.3
187.14742	1.2
188.04652	61.4
189.05013	2.9
189.12685	1.6
189.16325	3.3
191.03400	0.8
193.12175	2.1
203.06998	100.0
203.14279	1.8
203.17941	1.0
204.07349	5.5
205.08562	5.2
206.05745	1.8
206.08806	0.7
207.13748	1.9
213.16327	4.5
216.04114	1.9
231.06483	93.7
231.17418	4.7
232.06844	5.6
239.12833	0.5
249.07541	20.9
249.18463	46.2
250.07857	1.4
250.18387	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1844
Annotation	Hexadeca-4,7,10,13-tetraenoic acid
Peak:m/z	Relative Intensity
53.03927	2.2
55.01855	4.3
55.05500	17.0
56.62150	1.3
57.03409	2.4
57.07047	1.8
59.04970	6.5
67.05492	45.7
69.03398	3.6
69.07050	15.2
69.51140	12.2
71.04986	1.7
71.08597	2.2
72.21782	1.3
79.05478	58.1
81.03387	5.6
81.07039	33.9
83.04945	3.1
83.08604	10.1
84.08125	2.5
85.02910	2.0
85.06508	3.8
86.09696	3.2
91.05459	30.8
93.07026	62.0
95.04942	12.8
95.08587	27.7
97.02908	2.9
97.06512	4.7
97.10139	4.4
99.04402	1.7
99.08070	3.9
105.03365	2.8
105.04488	1.5
105.07005	14.4
107.04916	3.3
107.08573	41.4
109.02792	1.8
109.06476	4.0
109.10123	12.9
110.07117	3.8
111.08043	4.5
117.06989	7.4
119.08549	14.8
121.06509	1.8
121.10119	65.0
123.08042	6.4
123.11692	3.3
125.09591	4.5
127.03864	2.0
128.06137	1.8
129.06963	5.9
131.08553	13.1
133.10112	15.8
135.08018	4.8
135.11679	21.4
137.09598	9.2
139.07457	1.9
143.08514	3.0
145.06448	3.1
145.10074	5.9
147.07977	2.9
147.11638	8.2
149.09575	5.6
149.13235	4.4
151.07477	1.6
151.11119	4.6
151.14613	1.6
153.09058	7.0
155.08600	1.4
156.07776	1.6
157.10118	5.1
159.07991	2.1
159.11734	2.3
161.09618	2.3
161.13187	4.5
167.10577	3.0
170.10922	1.7
171.11688	2.3
172.05188	1.5
175.07532	7.1
175.11165	1.6
175.14799	3.5
185.05959	1.8
185.13220	8.0
187.14644	2.6
188.04686	8.4
189.16319	6.3
195.11667	2.3
203.07042	19.1
203.14244	3.3
203.17876	4.2
205.08304	2.4
206.05722	1.6
213.12675	3.1
213.16379	7.1
213.18117	1.4
221.08156	2.0
221.18889	1.5
231.06483	20.5
231.10197	2.0
231.13809	10.3
231.17416	12.5
231.21013	3.0
232.06755	1.8
249.05627	1.8
249.07542	17.3
249.14867	11.4
249.18436	100.0
249.22125	16.3
249.25127	8.6
250.18457	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1262
Annotation	H-Val-Met-OH
Peak:m/z	Relative Intensity
53.03913	0.4
55.01859	0.4
55.05502	9.7
56.05027	5.6
56.96554	1.2
57.03432	0.5
57.05811	1.1
57.07068	0.6
59.04994	0.7
60.04516	0.9
61.01136	2.7
67.05489	0.4
68.32498	0.3
68.70280	0.3
69.03419	1.1
69.07048	0.9
70.06580	1.1
70.15820	1.6
72.08144	100.0
73.02884	0.4
73.08472	0.6
74.06062	0.7
79.05474	0.8
81.07056	1.1
81.17641	0.3
84.04483	1.1
84.08118	1.0
85.02888	1.8
86.09721	1.1
89.27422	0.3
91.05485	0.4
93.07042	0.3
93.89934	0.3
95.08631	0.4
97.02895	1.5
98.97597	1.3
99.04428	0.5
102.05526	1.0
103.05471	0.5
104.05310	9.9
106.06576	0.4
109.06493	0.4
110.07143	1.0
116.98611	0.8
119.01919	1.2
119.03537	0.4
119.04922	0.4
120.01999	1.1
120.08067	2.0
121.08442	0.7
121.10144	0.3
126.05573	0.4
127.03966	0.6
127.07562	0.6
129.10196	0.8
130.04971	0.9
131.08531	0.3
133.03168	4.7
134.06009	1.4
134.99683	0.4
136.06133	0.9
136.69513	0.4
138.03075	0.6
139.01846	0.5
145.06467	0.4
147.04427	0.6
149.01247	0.4
150.05811	18.5
151.08615	0.5
155.11786	1.3
161.01271	0.6
161.09544	0.5
175.07538	0.7
177.00742	0.4
188.04662	0.6
201.12370	1.4
203.06969	2.1
203.12140	1.4
206.05995	0.4
222.06721	0.4
225.98238	0.4
231.06464	2.2
231.13612	0.3
232.03700	0.7
249.07784	2.2
249.12625	9.0
249.18404	0.5
250.12935	0.3
267.08939	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1117
Annotation	Microhelenin E
Peak:m/z	Relative Intensity
55.01834	0.8
55.05479	1.3
57.03401	0.5
57.07065	0.4
59.04966	1.4
63.41713	0.3
67.05489	2.9
69.07016	1.4
71.04983	0.4
71.30618	0.4
71.30968	0.6
78.04681	0.6
79.05477	3.9
81.03401	0.6
81.07050	2.7
83.04953	0.8
83.08583	0.5
85.06503	0.4
88.18172	0.4
89.64485	0.4
91.04951	0.4
91.05463	4.8
93.07037	4.2
95.04903	0.9
95.08598	2.2
101.23164	0.4
103.05421	0.9
104.06196	0.8
105.07012	2.6
107.04941	0.7
107.08569	2.7
109.06468	0.9
109.10133	1.0
111.08057	0.4
115.05436	2.4
116.06162	0.6
117.06993	4.4
119.08572	2.4
121.06469	1.2
121.10124	2.8
121.95168	0.3
123.08065	0.4
123.11677	0.4
127.05273	0.4
128.06192	3.9
129.06987	5.3
130.07771	0.4
131.04900	3.9
131.08528	1.4
132.05643	1.4
133.02716	0.4
133.06396	0.9
133.10107	1.9
135.08043	1.7
135.11688	2.0
136.05138	0.6
137.05927	1.0
137.09576	0.6
139.07506	0.5
141.06950	1.0
142.07730	0.6
143.04855	0.8
143.08537	0.8
144.05661	1.4
145.02800	0.6
145.05376	0.6
145.06456	9.4
145.10062	0.8
146.07208	0.4
147.04355	1.2
147.08026	3.3
147.11662	1.5
148.05179	0.8
149.05940	0.8
149.13251	0.5
151.07513	6.3
151.11153	0.4
152.06184	0.4
155.04872	0.9
155.05994	1.0
156.05623	0.7
157.06474	2.6
157.10132	0.4
158.07202	2.3
158.08321	0.3
159.04376	3.5
159.08034	6.4
160.05186	7.7
160.08786	0.7
161.05951	4.1
161.09579	0.7
163.07523	3.8
165.05435	1.5
169.06464	1.0
170.03592	0.4
170.07274	0.7
171.04407	0.5
171.08011	0.9
171.11530	0.5
172.05173	4.3
172.08788	5.1
173.02313	4.6
173.05939	6.6
173.09540	0.7
174.03094	1.2
174.06696	1.0
174.10382	4.4
175.07506	8.8
175.11079	0.7
176.08255	1.3
177.09090	1.1
179.06879	0.6
182.07260	1.2
184.05272	0.4
185.05943	10.1
187.03889	1.4
187.07495	2.4
188.04648	55.9
188.08217	6.6
189.05345	1.4
189.09045	2.0
189.16351	0.7
190.06175	0.4
190.09827	3.0
191.03400	0.9
191.06984	1.4
193.04935	1.5
193.12231	0.5
195.06468	1.4
198.06749	0.5
199.07507	1.0
200.08279	2.3
201.05467	1.4
201.09129	0.4
203.06993	96.6
203.10666	4.6
204.07320	1.6
205.08548	5.6
205.12195	1.4
206.05656	2.2
207.06474	0.5
213.09097	4.2
213.16431	0.5
216.04143	1.0
216.07776	2.3
220.07152	0.5
221.11703	1.0
221.44427	0.4
231.06491	100.0
231.10010	32.3
232.06863	1.0
232.10513	0.6
249.07562	20.7
249.11200	59.5
249.18411	5.5
249.22072	1.1
250.11440	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.0754
Annotation	5-Acetonyl-7-hydroxy-2-hydroxymethyl-chromone
Peak:m/z	Relative Intensity
51.42596	0.6
55.05497	1.2
57.07061	1.4
59.05011	2.9
67.05489	1.7
69.03440	0.6
69.07058	0.7
71.36315	1.1
79.05490	2.5
81.07047	2.8
83.04997	0.7
85.06521	0.7
91.05482	4.6
93.07042	3.5
94.58816	0.5
95.04985	1.2
95.08590	1.3
103.05479	1.0
105.07014	2.4
107.04943	1.1
107.08588	1.9
107.96655	0.5
109.10148	1.2
115.05449	2.4
117.07005	1.9
118.58135	0.5
119.04950	0.7
119.08562	3.8
121.10151	2.3
129.07019	2.3
131.04912	1.1
132.05714	1.1
133.06500	1.1
133.10141	1.4
135.11720	1.2
137.05923	0.8
143.04924	1.3
144.05669	0.9
145.02864	1.2
145.06523	2.1
147.04405	4.9
147.08020	5.9
147.11635	0.8
157.06470	0.7
160.05203	3.8
161.05957	8.1
161.09599	0.7
161.95245	0.6
163.03819	2.6
164.04614	0.7
171.04437	3.4
172.05209	1.9
173.05997	0.9
175.07506	8.5
177.05470	0.6
185.05974	2.1
187.03871	4.9
188.04668	36.1
189.05452	7.6
199.03871	5.9
200.04634	6.9
201.01877	3.3
203.03366	1.8
203.07011	18.0
203.14340	0.9
206.05786	1.4
216.04163	49.9
221.08092	4.9
231.06500	100.0
232.06891	1.2
234.05182	1.6
249.07556	60.0
249.14725	1.6
249.18465	4.6
250.07817	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.0754
Annotation	5-Acetonyl-7-hydroxy-2-hydroxymethyl-chromone
Peak:m/z	Relative Intensity
50.62609	0.1
50.79222	0.1
50.82048	0.1
55.01865	0.7
55.05472	0.2
59.04979	0.5
63.02372	0.1
67.05482	0.3
69.07059	0.2
70.06575	0.1
71.56396	0.1
78.04691	0.4
79.05466	0.3
81.07034	0.4
91.05460	1.7
92.98028	0.1
93.07019	0.3
93.58297	0.2
95.04897	0.2
95.08567	0.3
98.03690	0.1
103.05441	0.6
104.06221	0.5
105.07021	1.1
107.04927	0.2
107.08553	0.4
115.05436	1.8
116.06213	0.3
117.06998	3.9
119.04909	0.2
119.08568	1.1
121.10176	0.2
123.08101	0.2
124.52027	0.1
127.05346	0.2
128.06200	2.2
129.06998	3.3
130.04131	0.3
131.04903	3.4
131.08548	0.6
132.05728	1.2
133.02852	0.4
133.06461	0.3
133.10118	0.2
134.03592	0.2
135.04338	0.2
135.08032	1.1
137.05966	0.6
141.06989	0.2
143.04930	0.2
144.05681	0.6
145.02786	0.3
145.06464	7.4
147.04390	0.9
147.08018	1.8
148.05180	0.5
152.63924	0.1
155.04861	1.5
155.06036	0.6
157.06337	0.3
157.07629	0.2
159.04382	2.8
159.08057	1.1
160.05174	7.1
161.05972	2.9
161.09615	0.3
162.03099	0.2
162.06752	0.1
163.07516	3.4
170.03636	0.7
171.04420	0.6
172.04041	0.1
172.05162	3.7
173.02321	4.4
173.05927	2.7
173.07262	0.3
174.03104	1.3
175.07521	6.7
177.09172	0.2
183.05487	0.6
185.05959	9.2
187.03915	1.7
187.07518	1.6
188.04657	59.4
189.05057	0.7
190.06349	0.2
191.03410	0.7
203.06999	99.4
204.07341	1.3
205.08568	5.3
206.05728	2.0
213.05296	0.2
216.04146	1.5
231.06485	100.0
232.06909	1.1
249.07552	21.0
249.18361	0.4
250.08017	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	249.0755
Annotation	Tournefolin B
Peak:m/z	Relative Intensity
50.29139	0.2
53.00271	0.2
53.03928	0.2
55.01865	0.4
55.05495	0.3
57.03420	0.4
57.07066	0.3
59.04979	0.8
67.05493	0.4
69.03422	2.1
69.07050	0.6
69.52048	1.8
70.06568	0.8
71.04965	0.6
72.08144	0.4
73.02901	0.4
74.17965	0.2
79.05477	0.6
81.03411	1.1
81.07040	0.4
83.04977	0.3
84.04506	0.3
84.08123	0.7
85.02898	2.5
86.09697	1.9
86.91885	0.2
87.00810	0.8
91.05471	1.9
93.07040	0.6
95.04929	0.5
95.08583	0.6
97.02892	1.4
99.04431	0.8
105.01847	0.6
105.03361	0.6
105.07002	1.4
107.04937	0.5
107.08543	0.3
109.02848	0.8
109.10148	0.5
110.07146	1.0
115.05446	1.7
117.07009	4.0
119.04932	0.6
119.08552	0.7
120.08091	0.3
121.06418	0.3
121.10155	0.3
127.03903	1.9
128.06197	0.6
129.06981	0.7
131.04889	0.6
131.08560	0.7
132.96716	0.3
133.06470	1.0
133.10089	0.3
135.04411	0.7
135.08023	0.3
137.05951	0.4
137.09589	0.3
141.06949	0.3
143.04875	0.6
143.08531	0.3
144.04431	4.8
144.05576	0.4
145.04884	0.4
145.06467	5.8
145.10114	0.2
147.04387	1.4
147.08020	0.7
149.05942	0.3
149.09598	0.3
150.06772	0.5
151.03862	0.3
156.07640	0.5
157.06500	0.3
159.02953	0.2
159.08018	0.9
160.05191	0.6
161.05974	2.9
161.09622	0.6
163.03865	1.4
163.07549	0.3
164.04636	0.7
165.09164	0.3
171.04405	0.3
173.05951	3.9
175.07552	1.5
176.08339	0.2
177.05434	1.6
178.06219	1.1
184.03578	0.2
185.05925	0.8
187.07506	0.4
187.15111	0.3
188.04706	1.0
189.05441	10.2
189.09067	0.5
189.12830	0.3
191.03374	2.9
191.07037	0.4
191.10696	0.4
199.03851	0.7
201.05437	0.5
202.06161	0.4
203.06882	2.3
203.10667	0.3
205.04936	36.3
206.05714	42.2
207.06119	0.5
213.05443	1.7
216.04150	1.3
217.04936	13.5
219.06381	0.5
228.06561	0.8
231.06482	3.4
231.10147	0.5
231.13823	0.4
234.05194	16.3
235.05495	0.3
249.07545	100.0
250.07890	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.0753
Annotation	5-Acetonyl-7-hydroxy-2-hydroxymethyl-chromone
Peak:m/z	Relative Intensity
55.01845	0.4
57.03410	0.3
59.57221	0.1
67.05492	0.2
69.07052	0.2
70.32719	0.6
78.04690	0.5
79.05475	0.8
81.07044	0.2
91.05458	2.3
93.07026	0.7
95.08610	0.2
103.05434	0.7
104.06223	0.6
105.07021	0.9
106.04147	0.2
107.08582	0.3
115.05426	2.1
116.06215	0.4
117.06990	3.3
118.14890	0.1
119.04931	0.2
119.08561	1.0
121.06554	0.2
121.10146	0.4
127.05421	0.3
128.06200	2.4
129.06979	3.0
130.04111	0.4
131.04903	3.1
131.08531	0.5
132.05710	1.3
133.02850	0.3
133.06467	0.3
133.10078	0.3
135.08038	1.4
135.11662	0.5
143.04857	0.2
144.05667	0.6
145.02789	0.2
145.06458	7.6
146.03545	0.2
147.04417	0.8
147.08006	2.0
148.05122	0.5
155.04863	1.4
155.06046	0.7
157.06471	0.4
157.07607	0.3
159.04372	3.1
159.05598	0.3
159.08054	1.2
160.05173	7.1
161.02306	0.3
161.05951	2.8
163.07512	3.7
164.04750	0.2
170.03635	0.5
171.04395	0.6
172.05156	4.2
173.02307	5.0
173.05922	2.6
173.07240	0.3
174.03072	1.4
175.07515	6.8
178.27892	0.2
183.05508	0.5
185.05945	9.0
187.03900	1.6
187.07541	1.1
188.04648	59.3
189.05162	0.9
191.03479	0.7
203.06989	100.0
204.07367	1.1
205.08556	4.6
206.05716	1.2
216.04147	1.5
216.87051	0.2
231.06474	95.6
232.06766	1.4
249.07533	19.9
249.18404	0.7
250.07880	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.0753
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	0.3
56.89754	0.2
59.04989	0.2
69.07047	0.3
70.91937	0.5
78.04675	0.4
79.05458	0.8
81.07021	0.5
84.78071	0.2
91.05452	1.8
91.72060	0.2
93.07003	0.8
94.20795	0.2
103.05438	0.5
104.06202	0.6
105.07031	0.9
107.08549	0.7
109.10136	0.2
115.05428	1.7
117.06995	3.5
119.08543	1.2
121.10085	0.5
128.06206	2.0
129.06117	0.3
129.06982	3.1
130.04141	0.2
131.04900	3.5
131.05811	0.1
131.08501	0.6
132.05699	1.3
133.02823	0.2
133.10107	0.2
135.08041	1.0
135.11621	0.3
143.04892	0.3
144.05632	0.4
145.02806	0.2
145.06461	6.4
145.07588	0.4
146.03578	0.4
147.04425	0.9
147.08005	1.9
148.05157	0.7
155.04852	1.3
155.06039	0.8
157.06425	0.2
157.07564	0.2
159.04382	2.9
159.08003	1.2
160.05161	6.5
161.05957	3.2
163.07515	3.4
165.62787	0.2
170.03606	0.5
171.04382	0.7
172.05168	4.2
173.02301	4.7
173.05904	2.4
173.07054	0.2
174.03110	1.2
175.07521	5.6
177.09102	0.3
183.05510	0.6
185.05948	9.3
187.03871	1.5
187.07457	1.5
188.04645	57.9
189.05040	1.1
191.03278	0.5
203.06992	93.4
204.07326	1.2
205.08559	5.5
206.05713	1.3
216.04099	1.5
231.06474	100.0
232.06871	1.1
249.07545	23.1
249.18404	0.9
267.62500	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.0753
Annotation	5-Acetonyl-7-hydroxy-2-hydroxymethyl-chromone
Peak:m/z	Relative Intensity
53.03937	2.4
54.09687	0.6
55.01850	2.4
55.05511	1.2
57.03428	3.4
57.07080	0.5
59.04984	1.9
61.02925	1.8
67.05489	1.3
68.99775	1.2
69.03418	25.9
69.07053	1.8
70.06582	1.4
70.98186	0.5
70.98512	1.0
71.04985	2.9
73.02901	1.7
79.05491	2.8
81.03403	10.3
81.07034	1.3
83.01318	0.9
83.04982	1.2
84.08136	0.5
85.02888	28.7
85.06537	1.1
86.09696	1.6
87.00813	11.5
87.04468	0.7
87.57255	0.4
91.05474	4.2
93.07040	2.0
95.04951	1.8
95.08604	0.9
97.02872	14.4
97.06527	0.8
99.04433	7.1
101.02336	0.7
103.05451	0.8
104.06211	0.8
105.01843	6.9
105.07033	2.2
105.51243	0.6
107.04948	2.9
107.08595	1.3
109.02853	8.4
109.06504	0.9
109.10160	0.6
110.07146	1.4
111.04451	0.5
115.03922	0.9
115.05424	2.2
117.07021	3.2
119.08563	2.2
121.06488	0.9
121.10089	0.8
123.08016	0.7
125.05981	0.8
127.03892	23.3
128.06216	2.3
129.01828	0.6
129.06989	3.6
131.04913	3.9
131.08540	1.9
132.01178	0.6
132.05692	1.0
133.06450	1.3
133.07585	0.6
133.10100	1.2
134.10722	0.6
135.04424	0.6
135.08034	1.5
135.11685	0.4
136.07527	0.8
137.05957	1.0
141.06972	0.9
143.08565	1.4
145.04935	5.7
145.06470	6.8
145.07608	0.7
145.10123	0.7
147.04372	1.1
147.08012	2.9
147.11690	0.6
149.06001	0.6
149.09605	1.0
151.07556	1.1
155.04863	1.4
155.05998	0.9
157.06499	0.7
157.10175	1.1
158.07155	0.6
159.03036	1.1
159.04408	3.4
159.08035	1.7
160.05176	6.7
161.05954	2.8
161.09546	1.3
163.07552	3.0
170.07127	1.6
171.02890	0.6
171.08028	0.9
171.11621	0.7
172.05209	3.8
173.02303	4.4
173.05855	2.8
174.03079	1.0
175.07516	7.4
176.08020	0.7
185.05956	9.3
185.09554	0.9
187.03864	1.3
187.07578	1.5
188.04649	53.9
188.08153	5.3
189.05315	1.4
189.09047	1.3
189.12682	0.8
191.10641	0.6
203.06992	93.1
204.07413	1.3
205.08536	4.5
206.05739	1.8
206.09198	29.3
207.09828	0.5
207.13788	0.9
213.03865	0.9
213.12637	0.7
216.04132	1.3
219.06364	0.6
231.06499	100.0
231.13812	1.7
232.06854	3.1
234.06778	0.6
249.07504	21.9
249.11301	2.0
249.14569	3.2
249.18472	2.1
250.07925	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.0753
Annotation	5-Acetonyl-7-hydroxy-2-hydroxymethyl-chromone
Peak:m/z	Relative Intensity
58.96610	0.5
65.41947	0.5
67.48901	0.5
69.43356	1.4
69.43776	3.1
91.05417	0.7
103.05373	0.6
115.05434	1.6
117.07029	2.5
119.08562	0.9
128.06216	1.3
129.06993	3.1
131.04906	2.9
132.05670	1.1
135.08038	0.9
145.06456	6.0
147.04372	0.8
147.08003	1.4
155.04898	1.5
159.04422	2.4
159.08049	1.4
160.05180	5.6
161.05980	2.9
163.07552	3.8
166.40520	0.5
171.04395	0.6
172.05135	3.2
173.02342	3.6
173.05917	2.2
174.03081	0.9
175.07529	6.0
183.05518	1.0
185.05960	9.0
187.03879	1.5
187.07533	2.0
188.04665	54.8
189.05153	0.7
191.03438	0.6
203.07010	100.0
205.08565	4.5
206.05885	1.0
216.04185	1.4
231.06497	94.3
232.06921	0.5
236.86884	0.5
249.07567	41.5
261.14627	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.0753
Annotation	5-Acetonyl-7-hydroxy-2-hydroxymethyl-chromone
Peak:m/z	Relative Intensity
54.08497	0.5
55.01848	0.8
70.35169	1.3
70.35561	1.9
71.23522	0.6
76.31059	0.6
78.11038	0.6
83.23864	0.6
91.05444	2.0
93.76665	0.6
103.05402	0.8
105.91075	0.6
115.05427	2.4
117.07026	3.0
117.58950	0.6
128.06201	1.9
129.06998	3.0
131.04893	3.3
132.05672	1.0
135.08022	1.2
137.38000	0.7
144.05698	1.2
145.06465	7.8
147.04321	0.9
147.08005	1.3
151.57022	0.6
155.04863	1.2
155.06004	0.9
158.91133	0.8
159.04375	2.5
159.08014	1.6
160.05159	5.9
161.05927	2.1
163.07524	3.4
170.03522	0.7
172.05145	6.1
173.02318	4.7
173.05977	2.1
174.03003	1.4
175.07494	6.5
183.05550	0.8
185.05920	9.0
187.03865	2.4
187.07465	0.9
188.04657	56.2
189.05138	0.8
203.06996	97.6
204.07278	1.4
205.08514	4.8
216.04120	2.8
231.06482	100.0
232.06787	1.4
249.07550	63.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.0753
Annotation	5-Acetonyl-7-hydroxy-2-hydroxymethyl-chromone
Peak:m/z	Relative Intensity
52.36535	0.3
55.01856	0.9
57.03431	0.6
59.04979	0.9
67.05483	1.0
69.03394	1.6
69.07029	0.5
69.88441	2.5
78.04674	0.4
79.05457	1.1
80.12896	0.3
81.03408	0.9
81.07017	0.9
84.08105	0.4
85.02872	1.4
87.00779	0.4
90.80912	0.4
91.05457	4.3
92.05807	0.5
93.07016	1.2
95.04923	0.7
95.08588	0.8
97.02867	0.9
98.21378	0.6
99.04436	0.6
103.05463	0.8
105.01934	0.5
105.06980	1.6
107.04916	1.0
115.05445	2.1
116.06223	0.6
117.07008	4.3
119.08546	1.7
121.10101	0.9
122.02671	0.8
127.03905	1.5
128.06209	2.6
129.06998	3.8
129.11098	0.4
131.04903	2.8
131.08522	1.0
132.05688	1.1
133.06473	0.6
135.04333	0.7
135.08043	1.2
142.07686	0.4
143.08536	0.6
144.05661	0.9
145.06459	6.6
145.10110	0.8
147.04379	0.6
147.08052	2.8
147.11646	0.8
155.04898	1.2
155.06027	0.8
157.06493	0.8
157.10034	0.4
159.04387	2.4
159.08070	1.9
160.05170	7.3
161.05972	2.6
163.07542	3.1
167.16272	0.4
170.03619	0.7
172.05188	4.5
173.02309	5.5
173.05920	2.8
173.07191	0.5
174.03128	1.1
175.07538	6.8
177.08998	0.5
185.05939	8.3
185.07448	0.7
185.09525	0.6
187.03886	1.5
187.07484	1.8
188.04654	56.4
189.05237	0.8
189.09109	0.5
189.12752	0.4
203.06996	100.0
204.07433	1.0
205.08594	4.9
206.05724	2.2
213.09091	0.7
216.04124	2.5
231.06483	99.5
232.06836	1.4
249.07555	40.2
249.11401	1.5
249.14793	1.5
249.18346	0.7
264.75397	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.0367
Annotation	Unknow
Peak:m/z	Relative Intensity
67.04969	2.3
69.30367	27.8
77.79811	2.6
82.75915	2.6
85.06177	2.8
93.25714	2.4
94.92999	100.0
100.55406	3.4
134.75455	2.7
150.91939	3.0
161.03168	2.5
179.96400	2.3
206.88531	24.2
219.07106	5.4
231.03534	2.9
248.89621	29.3
249.03613	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	249.0604
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	4.5
53.83128	0.6
55.01858	4.0
55.05505	0.6
57.03425	5.1
57.07045	0.7
59.04992	3.2
61.02903	1.9
67.05480	1.9
68.99773	1.7
69.03418	31.7
69.07044	2.1
70.06573	2.2
71.01328	0.7
71.04978	5.1
71.48552	0.6
71.61607	0.9
72.08138	2.0
73.02911	3.0
74.06070	0.9
79.05463	1.5
79.36804	0.6
81.03405	19.3
81.07035	1.5
83.04978	1.5
83.06085	0.6
83.08591	0.8
84.04443	0.9
84.08134	1.5
85.02894	34.5
86.09701	6.3
87.00816	16.3
87.04445	1.3
87.10045	0.7
88.03973	2.0
89.40727	0.6
91.05470	3.5
93.06982	0.8
95.04943	1.1
95.08588	1.0
97.02882	16.4
97.06486	1.2
98.97533	0.9
99.04436	12.0
101.02364	0.7
101.45248	0.6
103.05440	0.9
105.01854	8.1
105.03364	1.2
105.07001	2.3
107.04935	1.2
107.08583	1.2
109.02131	1.0
109.02860	16.8
109.06506	0.7
109.10137	1.0
110.02352	0.8
110.07161	7.0
111.04430	0.7
113.10734	0.8
115.03989	1.0
115.05438	2.3
117.06999	5.0
118.81551	0.6
119.08550	2.2
120.08098	1.0
121.06507	0.7
123.04385	1.0
123.08039	0.9
127.03899	30.9
128.04213	0.7
128.06183	1.0
129.01831	1.4
129.06958	1.5
129.10231	0.8
131.04916	1.2
131.08542	0.9
133.06456	1.8
135.04422	1.0
135.08063	0.7
137.05945	1.5
143.04887	1.0
143.08464	0.8
144.04427	7.2
145.04944	3.8
145.06433	5.2
146.99574	0.6
147.02835	0.7
147.04378	2.4
147.08057	1.5
149.09698	0.7
149.56566	0.7
156.07689	5.5
157.06496	0.9
157.07976	0.6
159.02930	1.3
159.08003	1.5
160.05168	1.4
161.05956	3.8
161.09566	2.2
163.03835	1.6
163.07480	0.8
166.08632	0.8
171.04372	1.4
173.05997	4.0
175.07518	2.6
175.08929	0.6
175.11145	0.7
177.05533	1.1
178.06171	1.4
179.06993	0.6
185.05945	1.3
185.09546	0.9
185.13228	0.6
187.07539	1.0
188.04625	2.2
189.03893	1.3
189.05429	9.8
189.09074	1.1
191.03362	3.3
191.07034	1.2
191.10699	0.7
200.41949	0.6
201.12263	1.9
203.06882	6.9
203.10741	0.7
205.04929	35.7
206.05717	40.6
212.14226	0.6
213.03764	0.9
216.04155	1.5
217.04936	14.9
219.06509	0.7
221.08031	0.9
224.46297	0.7
231.04880	2.8
231.06766	6.0
231.13789	1.1
234.05190	16.6
249.07549	100.0
249.11617	2.7
249.14922	3.3
249.18321	1.5
250.07852	0.8
251.14853	0.8
269.16095	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	248.0453
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02905	1.4
62.28575	0.6
68.68382	0.6
71.36649	0.6
71.36961	1.0
84.08135	1.4
94.93005	5.2
109.65157	0.6
141.82680	0.6
206.88579	1.4
230.03505	22.3
248.04564	100.0
248.89650	3.0
249.04669	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	248.8964
Annotation	Unknow
Peak:m/z	Relative Intensity
70.55027	2.3
94.92996	100.0
112.89586	11.9
114.89315	24.3
116.89117	2.7
118.30125	0.7
135.88425	0.7
136.93990	1.5
150.91940	3.5
202.89043	0.9
206.88567	29.5
248.89609	36.1
249.03766	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	247.1691
Annotation	cis-Hexadec-11-en-7,9-diynoic acid
Peak:m/z	Relative Intensity
53.03916	2.5
55.01844	2.8
55.05508	8.2
57.03419	2.7
57.07061	2.9
58.06573	1.2
61.68023	1.1
67.05502	11.1
67.89038	1.3
69.03403	3.3
69.07069	12.3
70.06573	2.2
71.04955	4.4
71.62860	2.0
73.06519	1.4
79.05486	20.7
81.03416	2.1
81.07048	38.3
83.04942	3.6
83.08572	3.7
85.02864	1.6
85.06524	2.4
86.09688	1.8
86.10220	1.4
91.05468	35.0
93.06554	1.5
93.07035	18.0
95.04927	4.5
95.08592	14.0
97.02869	1.7
97.06495	3.4
103.05411	2.7
105.07021	51.2
107.04297	1.6
107.04950	19.9
107.06061	1.4
107.08574	10.7
109.06496	6.2
109.10103	5.4
115.05417	2.5
117.06995	12.9
119.07808	1.8
119.08575	29.7
121.02852	1.4
121.06445	5.3
121.10085	5.6
123.08023	2.0
125.02195	1.3
125.05950	3.4
127.03891	1.7
128.06224	1.9
129.06943	4.4
130.07726	1.6
131.07588	1.3
131.08554	21.8
133.06430	1.6
133.10107	22.7
135.08044	12.8
135.11681	3.7
137.09604	2.5
141.06931	2.3
143.08554	6.9
145.06479	1.9
145.10107	26.9
147.07985	4.4
147.11676	8.6
149.09601	5.9
149.13135	1.3
151.07442	1.4
155.08469	4.9
157.10139	6.0
159.08014	2.9
159.11687	11.0
161.06023	2.0
161.09647	1.6
161.13184	2.5
163.11081	1.8
165.09187	1.6
169.10048	3.9
171.11652	5.0
173.05908	1.5
173.09531	4.8
173.13167	3.5
175.03868	5.8
177.09079	1.6
183.11646	4.4
185.13187	3.7
186.03021	3.2
187.07481	1.8
187.11133	5.6
187.14769	7.5
189.09105	1.7
189.12723	2.7
189.16280	1.5
201.05426	2.1
201.12589	5.1
201.16425	6.1
201.20370	1.4
205.12175	2.8
211.14803	6.5
215.06963	3.6
229.08479	3.6
229.12218	3.8
229.15828	14.3
232.03592	5.7
239.12120	1.3
247.06050	11.9
247.09616	5.4
247.13063	5.0
247.16867	100.0
247.24220	3.7
248.17026	1.5
267.48059	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.169
Annotation	cis-Hexadec-11-en-7,9-diynoic acid
Peak:m/z	Relative Intensity
53.03927	1.0
55.01849	1.2
55.05504	8.7
57.03433	4.3
57.07059	1.6
59.04977	1.1
65.03917	0.8
67.05495	11.9
69.03415	0.7
69.07059	5.9
70.06558	1.7
70.85706	0.4
71.04989	3.6
71.06903	0.4
71.08624	0.5
71.62368	0.8
73.06539	0.6
79.05054	0.7
79.05484	12.3
81.06571	0.7
81.07046	14.3
83.04967	2.9
83.08595	1.1
84.83937	0.5
85.02877	0.7
85.06528	3.1
87.04439	1.3
88.07601	1.7
91.05470	32.2
93.06458	0.8
93.07030	13.0
95.04973	2.2
95.05477	0.4
95.08595	11.7
97.06522	2.2
99.08065	1.2
101.05984	1.5
102.09191	0.4
103.05440	1.7
104.06185	0.4
105.07018	32.2
106.08640	0.9
107.04929	0.9
107.08574	9.0
109.06519	2.3
109.10125	2.2
111.08068	0.6
113.05976	0.7
115.05424	1.2
116.06213	1.0
117.07000	20.2
117.07832	1.0
119.08566	39.4
121.06471	1.9
121.10132	3.8
123.08045	1.8
125.05900	0.5
125.09605	0.5
128.06197	1.2
129.06996	11.1
130.07753	1.3
131.08549	25.8
132.09319	0.7
133.06438	1.0
133.10110	14.1
135.08040	4.2
135.11655	1.8
137.09665	0.6
141.06987	5.7
142.07738	1.7
143.08528	6.6
144.09323	0.7
145.06432	1.2
145.10103	29.4
146.10869	0.9
147.08067	2.8
147.11671	13.7
149.09602	4.9
149.13232	0.5
153.09088	0.9
154.07692	0.7
155.08548	3.6
156.09302	0.5
157.10104	14.1
159.08025	3.4
159.11671	12.1
161.05923	0.5
161.09587	2.6
161.13216	1.6
163.11142	3.4
165.09050	0.9
167.08513	0.5
167.10698	0.4
168.09267	0.5
169.10106	10.6
171.11662	2.0
173.06013	0.5
173.09575	4.1
173.13226	9.4
175.03885	2.2
175.11160	12.4
175.14793	0.5
177.09126	1.2
179.47624	0.4
182.10945	1.1
183.11674	7.2
185.13232	13.2
185.20934	0.7
186.03137	0.8
186.10408	0.5
187.11189	6.0
187.14804	11.5
188.04668	1.5
189.05464	1.1
191.10674	1.9
191.14331	1.0
196.12492	0.7
201.05510	0.5
201.12775	3.5
201.16356	7.4
205.08485	0.5
205.12198	1.6
211.14789	17.9
219.06444	1.3
219.13722	0.8
229.04861	0.7
229.12256	0.8
229.15848	26.4
229.23488	1.2
232.03679	2.5
247.05981	6.0
247.10028	2.1
247.16902	100.0
247.24562	21.3
248.17256	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1285
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01847	0.6
55.05504	0.6
56.05018	0.9
56.96288	0.5
56.96558	7.1
57.03421	0.9
57.07060	1.9
61.02913	1.4
65.03938	0.5
67.05495	2.6
67.54778	0.3
68.99265	0.3
69.03418	1.1
69.05795	0.3
69.07059	0.7
70.06574	2.0
70.47548	0.4
70.98116	1.8
71.55476	0.5
72.04502	2.1
72.08144	4.5
73.02910	0.8
74.02435	7.1
74.97617	0.4
81.03419	0.5
82.02922	1.2
82.06562	2.0
84.04494	4.5
84.08130	100.0
84.96013	0.5
85.02882	2.0
85.06527	0.6
85.08490	0.7
86.09692	13.4
87.10013	0.5
88.03975	0.9
88.99142	1.4
90.03764	1.5
94.06519	0.8
95.04965	0.5
97.02856	0.5
98.97565	2.1
98.98476	0.4
100.03951	1.5
100.07608	2.3
101.00871	1.2
102.09164	6.8
103.00625	0.6
103.02431	0.4
104.02130	0.4
105.07037	0.4
107.00220	0.5
108.08116	1.4
110.05976	0.4
110.07169	0.3
110.97569	0.5
112.07661	0.4
115.02446	0.5
116.07032	0.5
116.98602	1.8
117.01881	0.6
118.03238	1.1
118.04990	1.9
118.08656	0.5
119.01910	5.7
119.02693	0.4
120.08075	0.4
121.01647	1.8
122.06025	0.5
125.02669	1.0
127.01504	0.6
127.03888	0.4
128.98628	1.1
129.10245	0.5
130.05020	1.1
130.08640	0.7
131.01912	0.9
132.10187	0.6
133.01662	0.4
133.03458	1.1
134.99660	0.8
136.02101	0.4
136.07559	0.9
137.02980	1.2
137.10756	0.5
138.09152	0.6
141.01208	0.4
143.01898	0.6
144.98180	0.5
145.01656	0.7
145.03464	0.8
146.01366	0.7
146.04475	0.8
146.99628	2.8
147.03250	0.8
147.05061	0.9
149.01277	0.5
149.02940	0.4
150.01759	0.4
150.05452	2.6
151.04561	0.6
153.10201	0.4
156.98109	0.5
159.03256	0.8
159.05058	0.5
161.01079	0.5
161.02960	1.5
162.99132	0.6
163.02673	2.0
165.00713	2.7
165.02116	0.6
166.08618	0.6
167.01953	0.7
168.99785	0.5
171.01370	0.5
173.02974	0.9
174.99156	2.3
175.00636	0.8
175.02625	0.4
175.04376	0.4
177.00844	0.4
177.02483	0.4
177.04242	0.5
179.02094	0.4
181.00198	0.5
182.01485	0.5
183.01668	0.6
183.11266	1.7
184.09644	0.5
187.00896	1.1
187.02769	1.1
188.02432	2.0
189.00838	0.5
189.02541	0.4
189.04466	0.4
191.02139	0.5
191.03912	0.4
193.00250	3.1
193.01901	0.6
195.03401	0.4
196.01315	1.1
197.02881	1.1
201.00693	0.9
201.02446	1.4
201.04109	0.4
201.05995	0.4
201.12360	1.1
205.00194	2.1
205.01904	1.3
205.03880	1.1
211.10803	1.0
212.07504	0.5
212.09285	0.8
214.02385	1.4
215.00317	1.6
217.02013	0.7
219.03482	0.6
221.60443	0.3
223.01233	3.2
223.04681	0.4
224.03995	1.0
224.08162	0.5
226.02275	0.7
229.03265	1.3
229.12021	1.1
230.07031	0.4
230.10242	4.0
231.84608	0.4
235.02901	1.0
241.02328	0.5
245.05003	0.4
247.04373	7.1
247.06819	1.4
247.12965	2.3
247.15359	0.4
247.18558	0.5
248.03214	1.3
248.08131	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.0598
Annotation	Pimpinellin
Peak:m/z	Relative Intensity
54.07678	0.2
67.05489	0.3
69.03404	0.3
69.93520	1.0
73.71550	0.2
79.05458	0.5
79.11566	0.2
81.07028	0.6
85.78091	0.2
91.05441	0.7
93.07017	0.6
95.08579	0.3
95.24036	0.2
98.21449	0.4
98.97539	0.4
105.07002	0.7
107.08578	0.4
115.05405	0.8
116.98564	0.2
117.06988	0.7
119.08549	0.6
128.06174	0.4
129.06982	0.2
130.04076	0.2
131.08522	0.5
133.10104	0.3
137.05946	0.3
143.04904	0.4
143.08542	0.2
145.02853	0.8
145.06477	0.6
145.10080	0.5
147.04358	0.2
147.08003	0.4
147.11729	0.2
158.03613	2.6
159.04375	0.3
159.11699	0.3
160.05177	0.4
161.02286	0.3
161.05952	0.7
170.03635	1.6
171.04375	3.1
173.02281	1.7
173.05948	5.5
173.09673	0.2
173.13155	0.2
175.03883	5.7
175.07581	0.2
176.04668	0.2
186.03082	37.3
187.03830	1.7
187.11180	0.3
187.14793	0.3
188.04674	0.9
189.05394	0.3
201.01886	2.0
201.05428	25.3
201.16423	0.2
202.05740	0.2
203.03355	17.1
203.14191	0.2
204.04121	0.3
205.08575	0.9
214.02596	2.7
215.03381	0.3
219.10129	0.2
229.04895	2.8
229.12242	0.6
229.15721	0.2
231.02977	0.2
232.03618	51.1
233.03928	0.5
247.05966	100.0
247.16676	1.1
248.06319	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.0598
Annotation	6-Methoxysorigenin
Peak:m/z	Relative Intensity
50.93568	0.6
64.37286	0.7
69.96686	2.8
81.07051	0.8
91.05460	3.6
93.07020	0.6
95.08600	0.8
98.98436	3.3
102.04635	0.8
104.06192	0.6
105.07011	1.2
107.08570	0.6
110.80749	0.5
115.05442	6.5
117.06992	6.0
119.04907	0.7
119.08527	1.3
130.04173	0.9
131.04926	1.3
132.05692	1.4
143.04890	2.7
145.06468	10.5
147.08037	2.2
158.03593	2.2
159.04422	0.6
160.05145	2.4
161.02307	1.4
162.03085	0.7
171.04385	8.3
171.05702	0.9
173.02167	1.6
173.05942	11.4
173.07280	0.9
174.04839	0.7
175.03851	1.0
175.07529	17.2
180.89748	0.7
186.03085	8.5
187.03862	8.4
188.04651	100.0
189.01785	5.8
189.05275	2.3
190.02550	1.6
201.05434	38.3
203.06999	9.7
204.04189	3.5
205.04927	9.5
214.02568	13.5
219.06496	9.8
219.26872	0.6
225.94739	0.5
229.04924	43.4
232.03624	19.5
247.05981	83.0
248.06248	0.8
268.33841	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.0598
Annotation	Pimpinellin
Peak:m/z	Relative Intensity
51.33061	0.4
70.79926	1.3
74.71021	0.4
115.05421	0.8
115.14781	0.4
143.04787	0.5
145.02832	0.9
145.06462	0.7
146.06007	0.5
158.03613	2.7
159.09201	0.7
168.06180	0.4
170.03618	1.3
171.04416	3.2
173.02341	1.1
173.05980	5.0
175.03900	5.3
186.03099	36.5
187.03902	2.1
188.04672	0.7
188.06981	1.2
201.01787	1.4
201.05447	26.0
203.01465	0.8
203.03371	16.3
214.02573	3.8
229.04982	2.3
232.03641	53.1
238.57726	0.5
247.05991	100.0
248.06403	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.0596
Annotation	6-Methoxysorigenin
Peak:m/z	Relative Intensity
63.50193	1.1
71.08624	1.5
76.31704	1.0
81.07036	1.6
82.65769	1.0
91.05457	3.9
93.07021	1.3
98.20728	3.8
99.13618	1.0
106.06563	1.2
115.05431	7.1
117.06998	4.9
117.74998	1.2
118.06494	10.4
119.07363	2.2
119.08595	1.7
121.10102	1.4
121.71423	1.0
130.04166	1.3
131.04866	1.5
131.08548	1.0
132.05693	1.5
135.08133	1.1
143.04907	2.1
145.06464	10.6
147.08037	2.4
149.01204	2.0
158.03564	2.4
160.05211	2.5
161.06010	1.4
171.04387	8.0
173.05948	12.4
175.04034	1.2
175.07507	18.1
180.73726	1.2
181.83174	1.3
186.03104	7.2
187.03844	9.8
188.04655	100.0
189.01772	6.9
189.05283	2.1
190.02583	1.3
201.05434	36.9
203.06998	8.7
204.04172	4.1
205.04849	6.4
214.02585	11.8
219.06500	7.7
229.04916	39.3
229.12270	1.2
229.80292	1.3
229.82494	1.6
232.03621	18.3
246.22131	19.9
247.05986	75.2
247.22449	25.4
257.77350	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.0422
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75004	0.6
54.50417	0.6
57.97346	0.7
71.42260	1.4
86.09693	1.0
124.22996	0.8
163.91273	0.6
169.01041	0.8
197.00586	0.7
229.03172	22.9
244.84590	0.6
247.04224	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1895
Annotation	(3S,9Z)-1,9-Heptadecadiene-4,6-diyn-3-ol
Peak:m/z	Relative Intensity
53.03926	5.9
55.01845	7.8
55.05500	11.8
57.07048	8.3
58.95452	1.8
67.05493	9.8
69.03391	2.1
69.07042	6.6
71.04984	21.1
71.63408	3.0
72.87196	2.0
72.93776	1.9
77.03919	13.5
79.01802	3.8
79.05475	16.6
81.03389	5.1
81.07025	7.4
83.04962	5.9
83.08601	4.1
84.08118	3.1
85.10157	4.2
87.04419	3.8
90.28701	2.1
90.94803	2.7
91.05461	97.0
93.07035	15.9
95.04940	5.4
95.08595	9.9
97.06509	12.5
97.10143	2.3
97.74734	2.1
103.05428	3.2
105.03371	18.3
105.07013	84.8
107.04906	2.9
107.08547	6.8
109.10117	5.4
112.62669	1.9
113.03453	4.1
115.03870	3.8
115.05362	3.0
117.06975	17.3
118.04050	2.3
118.43929	1.9
119.04915	42.5
119.08559	19.0
121.06470	8.2
121.10084	3.3
123.08031	4.2
128.06213	7.4
129.06958	14.6
131.08522	7.1
132.05690	2.6
133.06482	10.8
133.10114	9.4
142.03242	2.5
143.08543	9.2
145.10127	4.6
147.08011	66.9
147.11563	4.1
148.08740	2.9
154.07173	2.3
157.10126	5.0
160.08871	3.0
161.09596	23.1
161.13197	3.7
163.14717	2.5
171.11655	2.6
175.11121	3.4
175.14799	49.2
189.12712	2.2
213.93332	2.2
217.15831	2.9
230.02119	2.8
245.04330	3.3
245.11670	5.3
245.18959	100.0
245.22617	16.9
245.68968	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	246.1444
Annotation	H-Leu-Asn-OH
Peak:m/z	Relative Intensity
55.05500	4.4
56.05021	7.9
56.96549	5.7
61.01137	2.7
69.06712	3.4
69.07063	50.9
70.02947	15.2
70.06583	11.4
71.61565	3.5
72.08149	29.1
73.02902	3.2
73.06541	4.4
74.06062	4.0
84.04476	8.2
84.08131	30.7
85.02886	4.2
85.04012	15.2
86.09696	91.7
87.05579	77.3
87.06069	1.3
88.03973	9.0
88.99142	2.3
96.04467	2.6
96.08137	4.1
97.06522	2.8
98.02412	19.2
100.07617	8.8
104.05305	2.8
107.04903	1.9
110.02384	66.4
113.10753	44.6
114.05484	2.0
117.10277	2.9
120.08064	3.0
124.03920	13.1
124.07613	2.1
129.10226	13.5
129.20169	1.8
130.08629	5.5
132.10178	23.0
138.09120	5.3
141.10207	100.0
143.11781	25.8
146.99541	2.3
147.11258	6.8
148.06049	3.3
155.11798	10.9
156.13843	3.0
163.03851	1.8
164.91690	2.0
166.08620	93.7
169.09723	7.7
171.11308	6.9
183.11279	13.4
187.10745	64.3
200.13942	31.5
201.12292	4.6
206.29640	2.1
211.10709	9.4
212.09155	100.0
213.09560	2.2
223.01216	3.8
228.13429	7.5
229.11794	67.6
229.15251	2.8
241.05681	3.3
246.15019	10.7
246.18147	14.0
247.13083	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	245.1857
Annotation	Ile Ile
Peak:m/z	Relative Intensity
51.42281	0.2
51.51676	0.2
52.95148	0.3
55.65162	0.2
56.05010	0.4
58.06599	0.3
63.77671	0.2
69.07057	9.5
70.06580	0.4
70.74081	0.7
84.08143	0.6
86.09693	100.0
87.10039	0.7
90.94828	0.3
97.82313	0.3
113.03482	0.2
129.10271	0.3
132.10175	1.5
156.69260	0.2
167.97112	0.4
199.18083	1.0
223.49103	0.2
245.18559	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	245.1857
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00516	0.3
50.78289	0.3
56.05019	0.3
57.42461	0.3
60.04495	0.3
69.07062	0.7
70.06592	0.7
70.95001	0.5
70.95346	0.6
72.08107	0.5
84.04513	0.3
84.08131	1.0
85.06577	0.3
86.09695	100.0
87.10023	0.5
90.94802	0.4
91.05454	0.3
91.27608	0.3
114.05589	0.3
115.03921	0.3
129.10263	0.4
132.10201	3.2
140.90662	0.3
142.03224	0.4
149.96144	0.6
152.08246	0.4
172.97688	0.4
183.01974	0.3
199.17958	1.5
245.11630	0.4
245.15071	0.6
245.18597	8.4
245.20903	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1381
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84842	0.7
51.02414	0.6
53.03920	1.2
55.01857	1.7
55.05505	5.2
55.93501	0.8
56.05028	5.3
57.03434	1.2
57.07062	1.4
58.06590	2.1
60.04520	1.1
60.05627	0.9
65.03912	0.9
67.05501	7.7
69.03410	1.9
69.07059	40.9
69.76199	3.5
69.76617	1.8
70.06582	12.6
71.04995	1.2
72.08150	8.3
72.93784	2.7
74.02449	0.9
74.06072	10.6
79.05470	8.4
81.03408	1.3
81.07053	15.7
83.04973	2.7
84.04498	5.5
84.08130	11.8
85.06527	4.5
85.08462	0.9
86.09695	100.0
87.04452	2.0
88.03979	1.5
90.94810	4.6
91.05472	7.6
93.03390	7.4
93.07053	4.4
95.04961	3.2
95.08591	1.1
97.02910	0.9
97.06512	8.0
98.21406	1.5
99.08076	7.1
105.07021	8.8
107.04945	7.6
107.08584	2.4
108.95839	0.9
109.06541	1.2
111.04425	5.6
111.09209	0.8
112.08728	2.0
113.03463	2.5
115.03960	1.7
117.07008	4.0
119.08549	6.0
120.08080	1.3
121.06483	1.7
121.10107	2.1
123.08056	1.8
124.07575	1.6
129.06918	1.0
129.10225	8.5
130.10593	0.9
131.08571	2.5
132.10202	3.0
135.04436	1.7
135.07979	0.9
135.11713	2.8
137.06001	1.4
138.06631	0.9
139.03928	1.0
145.02963	0.9
145.06522	1.1
145.10097	13.7
147.11581	2.4
149.05997	1.4
149.96103	2.8
163.03893	4.0
163.11162	40.4
167.97137	4.0
172.97725	3.2
173.09567	3.5
173.12950	3.0
175.11903	1.8
190.98682	1.8
191.10631	13.1
199.18057	1.8
209.11682	15.9
209.13583	1.2
212.57501	0.8
226.11865	1.5
227.12692	1.5
239.14763	0.9
244.65762	0.8
245.04401	1.5
245.07991	1.5
245.11621	1.1
245.16431	1.0
245.18642	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	245.0501
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31931	0.6
58.99847	0.8
68.98286	0.8
69.03416	1.2
71.59321	1.1
72.93774	2.6
82.99828	1.5
84.08099	1.4
86.99335	1.3
89.77270	0.6
90.94814	2.3
97.02880	2.4
98.97552	1.2
101.00863	13.5
102.00918	0.9
102.96870	0.9
103.00583	1.4
103.43540	0.6
105.00349	2.9
113.00852	2.0
115.02426	2.1
116.98565	0.8
119.01901	54.7
120.01983	5.8
120.97916	1.6
121.01642	5.5
127.02394	0.9
127.03893	0.9
129.00356	1.1
129.03938	1.1
131.01872	13.1
131.05547	0.6
133.03448	5.5
137.02930	12.1
138.03047	2.3
138.98903	0.8
139.02652	2.3
142.03436	1.2
143.01874	21.9
143.03651	0.8
145.03435	7.6
147.01358	3.8
147.05025	0.7
147.14310	0.7
149.02902	3.3
149.06543	1.9
149.96107	2.4
155.01848	4.5
156.18526	0.7
157.03441	15.9
160.31599	0.7
161.02933	92.4
162.03012	2.9
163.04520	1.9
165.13899	0.6
167.97153	3.0
169.03426	1.4
172.97818	1.6
173.02928	13.8
175.04495	20.3
177.00777	0.7
177.09712	1.0
178.01094	0.6
179.00664	19.5
179.03990	9.2
180.00655	0.9
180.04045	3.6
184.04547	2.6
185.02914	21.0
187.04453	4.5
189.06088	1.7
190.98755	1.2
191.03973	6.2
197.02921	2.5
198.06236	0.8
199.00839	1.2
199.04475	1.6
203.03981	41.2
215.03998	4.2
217.05472	1.4
219.01903	1.7
219.03844	2.4
221.01724	26.4
221.04916	6.5
222.01939	2.5
226.05597	2.1
227.00661	1.7
227.03981	2.0
233.05049	5.6
245.01849	6.7
245.05029	38.2
245.12239	4.9
261.02979	0.8
263.02847	100.0
263.05988	7.1
264.03000	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	245.1129
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46284	0.3
54.03463	1.0
55.01859	0.5
55.05500	2.4
56.05013	0.5
56.96555	4.6
58.16531	0.3
61.02906	0.4
64.13743	0.4
65.03938	2.2
67.04235	9.8
69.03460	0.5
69.46210	3.0
70.02914	0.5
70.06583	2.5
71.04971	0.3
71.95242	0.8
72.04504	2.2
72.08138	1.6
74.02428	10.5
80.05000	4.4
82.02921	0.9
82.06564	100.0
83.04971	0.4
84.04495	1.5
84.08127	3.3
85.02895	0.8
85.08472	0.8
86.09693	3.3
88.99162	0.3
93.05768	1.2
97.02877	0.7
98.91104	0.4
98.97569	3.4
100.03984	1.5
100.07599	17.4
101.00867	3.2
102.05493	0.4
104.10716	5.5
110.63854	0.4
112.05067	3.5
113.03466	6.5
113.04714	0.6
113.05406	2.4
115.02429	0.5
116.07085	0.8
116.98589	2.7
118.04993	2.5
119.01902	8.6
120.01969	0.5
124.95472	0.3
128.04936	0.3
129.10254	1.5
130.04982	0.5
131.01863	1.8
132.06546	0.7
133.03462	1.4
134.99623	1.1
136.06151	0.6
136.07590	0.7
137.02936	2.2
142.96486	0.7
143.01889	3.1
145.03429	2.5
146.04446	1.1
146.06018	1.1
155.01834	1.8
157.03423	2.3
160.97624	0.8
161.02921	8.5
163.04494	0.4
164.06950	0.4
167.01953	0.5
170.96100	0.5
173.02969	2.7
175.04512	1.8
179.01924	0.5
179.03926	0.4
181.09810	0.6
184.97736	0.5
185.01283	0.7
185.02892	5.5
187.04527	1.1
188.97021	2.3
191.04048	0.7
193.00195	0.6
197.02913	2.1
199.04558	0.8
202.98671	0.5
203.02199	0.7
203.03937	3.9
206.98163	1.7
209.09256	0.7
210.07622	0.8
215.04019	0.6
217.05603	0.5
221.05011	0.7
224.99252	0.5
227.03946	0.8
228.08609	0.7
245.00943	0.8
245.05025	7.2
245.11287	0.6
246.04266	0.5
263.06131	0.9
264.63388	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.0054
Annotation	Unknow
Peak:m/z	Relative Intensity
69.55589	26.3
69.56008	18.8
80.25768	5.2
85.30341	4.9
87.43069	4.8
104.10721	100.0
115.35378	6.7
146.39822	5.0
183.58748	5.6
185.02925	6.4
197.21632	6.3
224.15112	5.4
245.00563	15.2
259.01175	6.3
265.22931	5.3
265.59192	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	245.0506
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01846	3.2
55.05499	6.5
55.93520	2.0
56.05015	4.5
56.96562	21.6
57.03410	3.9
58.99852	2.3
60.04520	7.2
60.05619	2.8
60.75763	1.3
61.02907	2.4
65.03905	1.7
67.03938	1.0
67.04243	9.8
67.05496	2.0
68.05025	1.3
69.03423	6.3
69.07044	5.3
69.44999	9.4
70.02914	6.0
70.06587	28.3
71.04977	2.2
71.06885	1.5
71.95249	1.7
72.04487	2.2
72.07792	1.8
72.08147	20.1
72.93764	4.0
73.02888	3.0
74.02435	10.8
74.06081	5.8
76.04025	1.5
77.00868	3.3
80.04992	5.0
81.03410	2.5
81.07018	2.4
82.02898	1.8
82.06572	83.8
82.99833	2.5
83.04941	2.5
83.06086	1.2
84.04496	17.2
84.08136	45.2
84.96018	2.2
85.02897	11.5
85.08466	5.7
86.06031	4.7
86.09205	2.2
86.09697	34.2
87.04450	2.9
87.05564	2.3
88.03966	4.6
89.00870	1.4
89.94040	1.3
90.94801	3.7
91.05447	1.6
93.05782	1.4
95.04939	1.4
96.00845	3.2
97.02312	2.0
97.02872	10.2
98.06011	4.0
98.97569	8.2
99.04438	2.6
99.05557	1.5
100.03960	2.0
100.07619	16.0
101.00247	1.8
101.00864	19.7
101.06029	1.7
102.05508	4.3
102.96941	1.2
103.02404	2.6
105.00355	1.7
105.06972	1.2
106.05048	1.5
107.04931	4.9
109.02840	2.6
112.05065	5.1
112.07581	4.2
112.08725	2.3
112.99114	2.4
113.00855	2.0
113.03477	71.4
113.05406	4.9
114.05504	3.5
115.02395	2.9
115.03953	2.8
115.08634	3.0
116.07059	5.3
116.10738	1.8
116.98605	9.7
117.03957	3.1
118.04981	3.7
119.01907	100.0
120.01967	2.5
120.06518	1.7
121.01644	3.5
126.03740	1.2
126.95407	1.3
127.02389	1.6
127.03909	3.0
128.07008	1.1
128.98578	1.5
129.03969	1.3
129.10228	21.9
129.11118	2.3
130.04982	11.5
130.08633	6.2
130.10606	1.3
131.00230	2.2
131.01889	18.9
132.06534	4.5
133.01643	2.3
133.03461	12.5
133.04936	3.1
134.99661	8.0
135.05072	2.1
136.06152	4.8
137.02950	30.9
137.05907	1.7
138.09090	1.5
139.02596	1.3
139.08655	2.3
140.07030	1.4
141.03944	1.5
142.03423	2.7
142.05040	1.7
143.01892	15.6
145.01704	1.3
145.03465	21.5
146.04451	3.8
146.05946	1.1
146.99588	3.4
147.01357	3.3
147.11243	4.5
149.01147	1.8
149.02917	5.0
149.06435	1.1
149.96088	3.9
151.04471	2.6
153.00639	1.3
155.01859	15.6
155.04578	2.5
155.11862	1.8
156.05383	1.6
157.03484	19.3
157.13326	1.8
159.05005	26.9
160.02760	1.4
160.97536	2.7
161.02942	66.2
161.13112	1.2
162.03099	1.8
162.95726	1.3
162.99149	2.1
163.02637	2.5
163.04575	6.0
163.07158	1.7
163.56552	1.5
164.04007	1.6
165.00723	1.7
167.01898	6.2
167.97145	4.4
169.03328	2.1
171.01385	1.6
171.05025	3.8
172.95222	1.3
172.97672	3.7
173.01561	1.9
173.02954	24.5
173.04439	1.5
175.04492	13.1
175.11876	3.9
177.00755	2.4
177.02335	1.7
177.06065	12.5
178.04970	3.3
179.01909	2.0
179.03979	3.1
182.06653	2.0
183.11327	1.2
184.04492	3.5
184.09590	6.0
185.02937	48.4
186.05939	1.3
187.04430	8.9
188.97041	4.7
190.98653	4.0
191.03972	4.6
193.00157	4.0
196.04514	1.7
197.02911	18.8
199.00888	1.3
199.02614	1.9
199.04362	3.2
201.04224	1.3
201.06065	2.4
201.12315	11.6
201.15891	1.3
202.98627	3.6
203.00519	1.3
203.02271	4.4
203.04015	37.6
203.05940	2.5
205.00151	1.5
205.05515	2.1
206.98137	5.6
208.04648	1.9
208.99641	1.7
213.93501	1.2
215.04028	10.3
217.05522	3.8
219.03491	1.9
220.99620	2.6
221.03328	1.8
221.05000	14.1
221.56824	1.6
223.01257	1.2
226.05519	2.6
227.03906	4.5
232.41351	1.3
233.04976	1.5
240.13406	1.4
245.05028	74.8
245.08870	3.8
245.11790	4.6
245.14862	2.8
245.18736	2.7
263.06165	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	245.0057
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03470	2.1
55.01872	2.7
55.05492	2.4
56.96564	14.5
57.03420	3.5
61.02919	2.1
63.21400	1.4
65.03949	2.6
67.04239	8.4
69.03416	2.5
70.02934	3.0
70.91763	1.4
70.92097	3.5
70.98097	2.0
71.95232	1.5
72.04477	1.8
72.08148	2.1
72.96059	1.9
73.02917	2.2
74.02444	10.3
80.04998	5.9
82.06573	100.0
84.04501	2.3
84.08144	4.1
85.02913	3.1
86.09697	2.7
89.57885	1.4
89.81950	1.5
96.00804	1.8
97.02857	2.9
98.97581	11.7
100.07603	15.5
101.00870	4.6
104.10741	8.0
112.05103	8.9
113.03488	60.2
113.05393	8.1
116.98621	8.3
119.01894	9.3
124.95528	2.4
126.58932	1.4
131.01906	2.4
133.03462	3.5
133.04922	2.0
134.99641	4.5
137.02998	2.2
142.96500	2.5
143.01939	3.0
145.03467	2.7
149.01227	1.8
154.74400	1.6
155.02000	1.7
157.03445	1.9
160.97520	2.1
161.02916	7.7
170.96169	1.7
173.02963	2.9
174.99188	2.4
185.02966	5.0
187.00316	3.0
188.97037	10.6
197.02927	2.3
202.98643	4.0
203.03987	3.0
205.01352	1.9
206.19997	1.3
206.98166	5.0
220.99826	3.1
221.04961	1.7
224.99231	2.7
230.98083	2.6
245.00560	4.4
245.04889	11.1
261.06689	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.174
Annotation	Dehydrofalcarinol
Peak:m/z	Relative Intensity
53.03934	3.6
53.26965	0.5
55.01863	2.9
55.05493	3.2
57.07063	4.6
62.93612	0.6
65.03928	8.4
67.05497	7.2
69.03423	0.7
69.07045	2.3
69.59429	0.6
71.08617	0.9
74.06051	0.7
79.05476	7.5
81.03407	8.5
81.07041	4.6
83.08612	1.4
84.08118	0.9
85.10171	6.9
91.05465	100.0
93.03391	1.2
93.07030	2.8
94.04234	0.7
95.04953	2.2
95.08611	2.9
97.06522	0.7
103.05447	3.7
105.03389	3.8
105.07010	10.5
105.66148	0.6
107.04941	2.8
107.08587	1.5
109.06515	0.9
109.10136	1.7
113.09611	4.5
114.95649	0.8
115.05437	8.3
116.06209	6.2
117.06998	13.2
118.10289	0.6
119.04971	1.0
119.08557	1.1
123.11713	1.0
128.06206	3.0
129.06993	12.9
130.07742	0.9
131.04918	2.9
131.08549	19.7
132.96649	1.0
133.06468	10.1
133.10115	0.7
141.06976	8.5
143.08534	1.8
144.05685	5.3
145.06479	2.7
145.10126	4.1
147.07970	0.8
147.11678	1.0
153.06995	2.1
154.07785	2.2
155.08556	6.1
157.06435	0.7
158.07236	1.2
159.08032	37.6
159.11647	1.0
165.12735	1.5
169.10046	1.5
172.08760	1.0
173.09602	4.8
173.13179	1.0
178.96034	0.8
215.17969	0.9
243.10156	0.9
243.17416	38.3
243.28693	1.3
244.17711	0.9
252.25699	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	244.2267
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72097	0.4
53.03907	0.4
55.05500	8.6
55.23844	0.4
56.05022	5.5
57.07049	1.1
58.06594	4.5
60.04506	1.2
61.99282	0.4
62.06070	0.6
67.05482	0.7
69.06726	0.4
69.07057	6.0
69.77509	0.4
70.06585	2.1
70.65078	1.3
71.08607	0.6
72.04517	2.9
74.06071	7.7
75.10858	0.3
78.20002	0.4
81.07021	0.9
83.08601	5.7
84.08127	2.0
87.15118	0.4
88.03963	1.6
88.07597	0.9
95.08598	0.7
97.10140	1.6
98.09678	2.2
112.11227	1.0
116.10690	0.4
139.18987	0.5
146.88268	0.4
153.60088	0.4
156.17473	0.7
170.18993	0.5
182.19016	22.9
198.18555	3.0
200.20059	100.0
201.20367	1.4
226.21616	42.1
244.10399	0.5
244.15256	0.9
244.19037	6.5
244.22736	4.1
263.22281	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	244.0662
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00369	0.5
63.58813	0.5
65.05928	0.5
66.56600	0.6
69.93188	2.6
72.93766	0.7
82.99854	0.5
84.08166	0.6
84.68664	0.5
98.21487	0.6
98.97536	0.8
101.00864	5.3
102.00913	1.0
103.00620	0.6
106.52770	0.5
116.98606	1.4
119.01904	38.4
120.01997	4.3
121.01639	1.2
124.02419	0.5
130.34435	0.6
131.01915	0.7
136.00006	0.6
137.01945	0.7
137.02945	11.9
138.03052	1.1
142.03465	5.7
143.01857	2.3
155.01997	0.5
157.03473	1.1
160.04543	2.7
161.02927	14.3
167.97092	0.5
173.02919	0.8
175.04498	1.7
177.00941	2.8
178.01016	18.1
179.00693	4.7
179.03973	15.5
184.04559	2.1
185.02908	1.4
194.04121	0.6
196.02075	0.6
202.00922	0.9
202.05618	1.8
203.03955	3.4
203.05617	0.7
218.04175	2.8
219.01820	2.4
220.02075	22.0
221.01747	10.5
221.05037	2.0
226.01112	2.1
227.00697	0.5
233.05042	0.7
238.98239	0.8
243.95798	0.6
244.01968	6.6
244.05550	0.6
245.01738	0.9
245.05017	2.1
262.03156	100.0
263.02805	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	243.1739
Annotation	Dehydrofalcarinol
Peak:m/z	Relative Intensity
51.02368	1.1
53.03942	13.6
55.01858	5.4
55.05500	8.0
57.03425	1.0
57.06821	1.6
57.07069	20.5
65.03926	5.7
67.05212	1.0
67.05500	11.2
69.03398	2.4
69.07050	3.1
70.54659	1.5
70.54997	3.4
71.08214	1.1
74.47472	1.3
79.05482	20.8
81.03404	26.9
81.07024	5.0
83.04981	1.9
91.05468	40.1
93.03376	2.8
93.07026	8.6
95.04934	5.9
95.08568	3.6
103.05461	3.7
105.03372	1.4
105.07014	11.8
107.04947	13.7
107.08554	3.0
108.73848	0.9
109.10129	3.7
115.05428	13.9
116.06249	5.6
117.07011	15.7
119.08535	5.2
121.06429	2.3
127.11129	2.3
128.06183	3.4
129.06985	12.2
130.07782	2.3
131.04886	5.2
131.08554	18.0
132.05704	2.3
133.06487	2.6
133.10078	1.1
141.06981	5.4
143.08514	3.0
144.05696	7.1
145.06471	10.9
145.10100	6.8
149.13406	1.2
153.06969	1.0
154.07666	1.3
155.06065	1.4
155.08508	4.5
157.06482	1.8
158.07257	7.3
159.08022	15.8
161.09526	1.3
161.13148	1.5
169.07611	1.4
169.10101	2.4
171.07990	2.8
172.08945	1.3
173.09581	4.8
183.11670	2.1
187.11171	1.7
215.17964	2.1
225.16388	2.8
241.03032	1.2
243.17403	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1587
Annotation	[1R-(1alpha,2beta,3beta)]-3-Hydroxy-2-(hydroxymethyl)-3-methyl-gamma-methylene-cyclopentanebutanoic acid methyl ester
Peak:m/z	Relative Intensity
51.13490	2.4
53.03920	4.2
55.01843	4.5
55.05502	25.0
55.93501	4.5
56.96539	4.4
57.03411	7.8
57.07047	7.0
59.04972	3.3
59.33718	2.7
62.42782	2.5
62.73868	3.4
67.05495	28.9
69.03410	19.4
69.07065	24.7
70.06569	23.5
71.04976	31.3
71.62296	4.0
71.93016	3.2
72.08141	12.9
72.93762	4.3
73.06554	3.2
79.05478	35.9
81.03398	7.6
81.07040	58.2
83.05005	15.6
83.05424	2.9
83.08603	3.9
84.04472	10.8
84.08124	36.3
85.02872	8.6
85.06498	7.0
86.09692	26.9
87.04433	4.0
91.05466	40.6
93.07025	52.3
95.04938	11.6
95.08592	35.5
95.73132	2.6
97.06506	30.4
98.97572	4.6
99.04416	11.0
99.08081	3.3
101.06007	14.4
102.09148	6.2
105.07012	93.1
107.04903	7.5
107.08574	100.0
109.06493	29.6
109.10149	33.4
110.07140	6.3
111.08072	14.7
115.07545	8.7
116.98591	5.3
117.06976	11.5
119.04857	3.3
119.08564	87.7
121.06473	23.7
121.10122	47.3
123.08034	29.6
123.11679	10.6
125.05984	3.2
125.09576	4.8
127.12304	5.1
128.06178	3.0
129.06989	8.0
129.09096	3.9
129.10202	7.8
131.08545	17.1
133.06497	4.0
133.10098	38.7
135.08028	21.1
135.11690	20.1
137.06013	3.6
137.09598	16.4
139.11136	3.2
141.09131	6.6
143.08524	10.9
144.09267	3.7
145.06412	4.1
145.10089	26.5
147.08037	27.3
147.11655	83.4
147.12782	5.9
149.09589	23.9
149.13223	13.5
151.03772	3.9
151.07498	6.1
151.11176	20.3
153.09039	3.4
155.10637	27.0
159.11667	23.2
160.08896	3.6
161.09566	15.9
161.13234	44.2
163.11140	14.4
165.09052	4.2
165.12711	13.4
167.10648	6.6
171.11685	15.6
177.00735	3.8
177.12715	15.9
179.14250	6.2
185.11630	4.5
189.09032	4.5
189.12703	45.7
193.13931	3.3
195.13791	6.3
197.12877	3.3
207.13736	34.2
215.13676	2.9
220.04668	3.5
222.08301	9.0
225.14746	21.0
231.08893	3.9
233.08022	3.0
238.05426	3.2
243.06432	4.5
243.10271	5.1
243.13608	6.1
243.15530	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	243.1588
Annotation	Ieodomycin A
Peak:m/z	Relative Intensity
51.79690	0.9
53.03929	1.7
55.01847	3.5
55.05261	1.2
55.05503	16.4
55.97842	1.0
56.96547	1.4
57.03429	31.0
57.07058	2.8
59.04962	1.4
60.04374	0.9
60.57060	1.1
63.77684	1.0
65.03927	2.5
67.05494	73.8
69.03416	7.1
69.06706	1.4
69.07050	11.7
70.06570	2.8
71.04980	31.0
71.63081	1.7
72.08146	1.2
72.93761	1.1
73.02878	1.5
78.69255	1.1
79.05479	29.7
81.03399	2.2
81.07044	75.2
83.04953	8.9
83.08612	7.8
84.08130	6.0
85.02874	3.6
85.06525	22.4
86.09686	2.6
87.04443	3.1
90.94808	1.0
91.05469	50.3
92.05782	2.0
93.07029	19.6
95.04953	5.5
95.08588	14.2
97.02885	2.3
97.06528	9.1
97.10172	1.1
98.97552	1.4
99.04454	2.0
99.08054	1.2
101.06038	1.2
103.03870	1.2
103.05436	1.5
105.07012	37.5
107.04915	1.5
107.08582	28.2
109.02876	1.2
109.06509	9.4
109.10141	32.7
111.08064	1.2
113.05933	1.5
116.98540	1.1
117.06949	1.1
119.08540	2.7
121.06440	1.1
121.10075	3.8
123.08039	3.9
123.11694	10.8
125.09596	2.2
127.07539	2.2
127.12279	1.2
129.06941	1.2
129.10228	1.5
131.08525	3.7
132.95773	1.4
133.10106	47.4
136.39203	1.0
137.05952	1.1
137.09621	1.3
139.11125	2.0
145.04861	0.9
145.10106	1.7
147.11644	1.9
149.15984	1.0
151.05106	1.0
151.11154	26.2
161.09671	1.4
165.09161	1.3
169.12187	2.4
173.13206	2.8
174.96829	3.0
179.10698	1.5
197.13159	1.3
225.11108	1.6
225.14801	1.6
234.98915	1.3
243.10283	3.9
243.15865	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1587
Annotation	[1R-(1alpha,2beta,3beta)]-3-Hydroxy-2-(hydroxymethyl)-3-methyl-gamma-methylene-cyclopentanebutanoic acid methyl ester
Peak:m/z	Relative Intensity
53.03947	1.9
55.01856	8.8
55.05303	1.0
55.05505	10.2
56.05008	1.4
57.07058	4.0
58.82202	0.9
64.82898	1.2
66.08670	1.4
67.05494	12.2
69.03404	3.8
69.07057	11.3
70.06558	3.3
71.04964	5.6
71.11769	2.5
73.06538	2.0
78.72010	1.1
79.05482	10.7
81.03455	1.1
81.07040	39.5
83.04952	2.3
83.08617	9.7
84.08123	3.6
85.06518	4.9
85.10152	1.1
91.05451	7.6
93.07024	57.1
95.04954	10.5
95.08591	17.5
97.06510	15.9
97.10160	1.8
98.01129	1.0
99.04448	2.6
99.08063	2.8
105.05932	1.2
105.07010	15.0
107.04980	1.4
107.08575	30.2
109.06503	12.3
109.10135	6.4
110.07170	1.5
111.08069	20.8
113.05949	2.6
114.09135	4.8
114.95615	2.2
117.06991	2.3
119.08553	11.6
121.06496	3.6
121.10106	6.6
123.08036	3.7
123.11682	28.8
125.09610	6.2
125.66929	1.2
127.07539	1.0
129.06982	1.4
131.08549	1.3
133.06432	1.1
133.10092	2.9
135.08022	17.8
135.11661	1.3
137.13210	6.5
139.11226	1.6
142.08615	4.7
145.10098	4.3
147.08029	2.3
147.11653	25.2
147.12775	2.0
151.07506	3.0
153.09103	2.7
155.14313	2.7
159.11673	1.8
161.13222	5.6
163.11089	1.5
165.12720	33.3
166.92549	1.5
169.08578	10.1
169.09958	1.8
171.11694	2.4
173.09573	1.2
178.95935	1.7
179.14294	1.6
183.13773	100.0
184.16945	3.8
187.14740	1.1
189.12712	9.9
189.16347	1.1
197.13155	1.2
199.18889	1.9
207.13748	31.3
212.16402	5.0
215.10626	1.4
225.12695	2.2
225.14778	42.7
241.08937	1.1
243.06160	1.2
243.10135	2.4
243.13615	2.1
243.15753	3.6
243.17650	3.2
243.20947	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	242.0506
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96554	3.6
57.03418	2.3
58.06586	2.3
61.02911	2.9
65.67212	0.9
69.03422	2.0
70.06582	2.3
70.37164	0.9
71.61593	1.2
72.08145	1.7
72.93825	1.0
73.02905	3.4
82.53317	0.9
82.65856	0.9
84.08112	3.2
84.96032	0.9
85.02913	4.5
97.02866	1.7
98.97554	2.7
101.00853	9.0
110.07168	1.3
110.97572	0.9
113.00840	2.0
116.98659	1.1
119.01900	64.7
123.95444	1.5
127.03884	1.2
127.43990	1.1
128.98579	1.1
129.01894	1.1
129.10201	2.7
131.01894	16.0
133.01591	1.0
133.03436	1.3
135.03201	1.1
137.02937	20.0
142.03491	2.8
145.03452	2.1
147.88184	0.9
149.02872	5.1
150.02998	1.1
155.01910	1.9
155.17218	0.9
156.07785	1.0
160.04546	2.3
161.02992	1.3
163.04536	1.3
165.07365	1.9
173.01817	1.0
173.03004	10.4
173.98416	0.8
174.98984	0.9
175.02605	1.3
175.58733	1.0
177.00790	1.9
177.02390	2.3
182.02428	2.2
185.03050	1.0
189.03978	1.5
191.02315	1.3
191.03967	8.6
193.00166	1.1
197.10098	0.9
201.02406	57.1
202.02644	0.9
219.03471	100.0
220.03697	2.3
224.04015	1.8
242.05157	2.5
242.10022	1.9
242.15753	25.3
242.96442	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	242.2109
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	14.8
57.07067	1.9
67.05486	0.6
68.05025	0.9
69.03423	3.7
69.07054	9.2
70.06580	12.4
71.08612	1.0
71.62714	0.3
79.05480	0.4
80.04987	0.3
81.07051	0.6
83.08603	13.5
84.04497	0.8
84.08125	0.5
86.06051	12.6
87.04452	23.6
88.07614	0.4
91.05449	0.2
95.08586	0.4
97.10154	4.9
98.06037	57.1
104.07088	6.8
104.77847	0.3
110.07154	0.4
112.07607	1.3
119.89728	0.2
126.09138	0.4
156.17450	7.9
156.18698	0.4
168.14171	0.3
177.00754	0.3
181.16194	0.3
201.97633	0.3
224.20036	7.1
242.21098	100.0
243.21519	1.2
264.69977	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1582
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	5.8
53.03933	10.1
54.26240	4.5
55.01872	5.8
55.05508	27.8
57.03411	14.3
57.07046	8.2
58.12796	4.6
65.03921	7.5
67.05492	42.4
69.03413	32.4
69.07049	28.5
71.04976	9.6
71.61745	5.5
79.05478	67.7
81.07050	45.5
83.04981	12.6
83.08602	21.0
84.08115	8.8
85.06549	10.0
86.25184	4.7
91.05466	99.4
93.03702	11.0
93.07028	44.8
95.04942	33.0
95.08588	31.1
97.06441	5.4
97.10140	10.2
99.08031	5.2
100.00690	5.2
101.06024	4.9
103.03992	5.3
103.05445	16.8
105.04523	4.8
105.07034	44.1
107.04922	40.7
107.08583	16.6
109.06499	7.2
109.10140	9.3
110.07121	8.6
111.04381	5.8
115.05437	85.4
116.06223	8.2
116.98635	7.8
117.06970	37.3
119.08532	21.5
121.10123	20.7
123.08006	6.0
127.05311	5.3
128.06201	81.0
129.06972	69.2
130.07684	5.3
131.04933	11.4
131.08528	20.9
134.99655	11.9
135.08028	6.3
135.11673	7.4
139.11180	5.6
141.06990	53.7
142.07736	15.3
143.08554	27.6
145.06448	16.2
145.10086	12.5
147.11667	12.2
148.97701	10.1
149.09529	8.7
152.06181	54.9
153.06976	81.1
154.07765	47.2
155.05983	11.3
155.08559	32.8
156.07684	5.5
157.06491	11.6
157.10156	10.9
158.63522	4.7
159.08011	16.2
159.11633	6.8
165.06978	67.7
166.07750	21.7
167.08549	36.9
167.10646	5.2
168.54326	5.0
169.10124	11.7
171.08029	14.5
171.11717	13.0
174.11684	4.7
176.95906	6.2
179.08554	13.9
180.09280	5.8
181.10095	12.3
181.12038	5.9
185.09560	7.3
185.13153	7.4
193.10086	5.9
195.11720	6.6
197.20879	9.0
205.12230	10.7
223.13220	12.9
224.35742	5.1
241.08731	6.0
241.12212	8.5
241.15959	100.0
241.18355	5.3
241.19563	22.7
241.23590	20.7
242.21255	6.7
258.87619	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	241.1581
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00291	2.6
53.03944	5.6
55.01862	20.3
55.05503	14.4
57.03438	3.1
57.07057	5.9
60.04510	2.5
65.03946	15.9
67.05492	19.6
69.03414	3.7
69.07042	8.7
69.36821	24.5
70.23228	2.5
73.51301	2.5
73.64277	2.5
74.41428	2.5
79.05479	33.0
81.03400	7.7
81.07043	12.9
83.04976	5.2
83.08640	5.0
85.06499	2.7
85.10155	4.5
91.05464	72.8
93.07034	11.0
95.04943	9.3
95.08590	8.3
97.10184	3.8
103.05443	8.6
105.03375	3.1
105.07022	18.9
107.04932	11.1
107.08556	5.5
109.06514	3.7
113.09570	3.8
113.17748	2.5
115.05418	27.6
116.06203	2.7
117.06993	17.2
117.38425	2.7
119.08557	7.7
121.10111	5.4
128.06203	100.0
129.06993	37.0
131.04910	5.8
131.08556	6.6
133.10097	3.5
141.06987	21.1
142.07745	18.0
143.08528	26.4
144.05614	3.3
145.06482	11.0
145.10109	5.2
152.06149	23.7
153.06992	11.8
154.07751	3.3
155.05988	6.3
155.08537	9.5
156.09329	3.8
157.06453	5.8
157.10115	11.4
159.11693	4.0
165.06996	9.0
166.07793	4.5
167.08513	9.2
169.06471	7.4
170.07303	3.5
171.08029	12.7
171.11722	4.4
179.08557	6.0
181.10017	5.1
183.08005	3.8
184.08850	8.2
185.09644	8.1
197.09628	4.2
199.11176	4.1
203.55821	2.7
223.14891	3.2
241.08553	5.2
241.12228	4.5
241.15845	69.8
241.19557	5.6
241.69014	3.0
242.21159	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	241.1542
Annotation	Pirbuterol
Peak:m/z	Relative Intensity
50.69502	0.2
53.03920	0.2
55.01869	0.3
55.05494	0.5
56.96551	1.2
57.03426	0.3
58.06591	14.7
61.02908	1.1
66.71339	0.2
66.83858	0.2
67.05485	0.3
69.03403	0.5
69.07035	0.3
69.88374	0.4
69.88776	0.7
70.06239	0.2
70.06584	3.4
71.04961	0.4
71.09448	0.2
72.08126	0.8
73.02882	0.7
81.03398	0.6
81.07022	0.3
83.04951	0.2
84.04470	0.7
84.08127	8.1
85.02865	1.1
91.05446	0.2
93.03693	0.2
97.02863	0.4
98.06031	0.3
98.09665	1.2
98.20782	0.2
98.97568	3.2
99.04433	0.2
100.11231	0.3
101.00845	0.8
101.02383	0.2
103.05415	0.2
110.07108	0.5
112.07523	0.2
112.08712	0.2
114.05508	0.5
116.07071	0.3
116.98610	2.7
117.01806	0.3
119.01135	0.2
119.01915	3.2
120.01977	0.6
120.08047	0.8
124.07522	0.3
126.05484	0.3
126.09103	0.3
127.03928	0.2
128.10701	2.8
129.10168	0.4
131.01904	1.4
133.03400	0.4
134.05989	0.6
134.99646	1.6
136.06178	0.4
136.07518	0.4
137.02945	1.1
137.06499	0.4
139.02606	0.2
140.00240	0.2
140.95157	0.2
144.10147	0.9
145.03427	0.3
149.02910	0.5
153.00676	0.2
156.97414	0.3
158.01215	0.9
158.99625	0.4
159.05107	0.2
160.02924	0.4
160.52991	0.2
161.02917	0.5
163.04468	0.2
163.08670	0.2
164.07039	8.5
165.00601	0.2
168.01694	0.3
168.10155	0.8
171.47363	0.2
172.04477	0.3
173.01244	0.2
173.02956	0.8
174.98610	0.3
175.02666	0.2
175.04543	0.2
177.00664	1.0
177.02266	0.3
181.09674	0.4
189.02434	0.4
190.98669	0.3
191.03899	0.5
195.01729	0.7
196.09637	4.5
196.11430	0.3
198.98506	0.4
200.02342	0.4
200.04005	0.3
201.02405	2.2
213.15994	0.4
215.03969	0.2
216.99696	0.3
217.02008	0.2
218.01854	0.3
218.05112	0.3
219.01765	0.3
219.03491	3.7
223.10759	0.9
224.03809	0.2
231.03462	0.3
240.97029	0.3
241.15421	100.0
242.15704	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.143
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15496	1.9
53.03935	3.5
55.01860	5.6
55.05498	26.7
57.03428	100.0
57.07064	3.3
59.04976	1.7
65.03918	2.3
66.16133	1.8
67.05495	35.5
69.03416	6.2
69.07053	20.9
70.06574	2.0
71.01349	12.5
71.02595	1.9
71.02950	4.9
71.04979	8.3
79.05479	66.7
81.03402	6.6
81.07043	27.2
83.02503	1.6
83.04969	18.4
83.08606	31.6
84.08141	3.1
85.02876	9.6
85.06541	3.2
85.23825	1.7
86.76387	1.5
91.05459	23.1
93.03737	5.1
93.07024	90.1
95.04956	6.9
95.08592	36.1
95.09164	3.3
97.02868	4.7
97.06525	6.6
97.10146	4.0
98.97575	3.4
99.04420	3.7
103.03917	3.5
105.06997	11.2
107.04934	3.4
107.08579	23.8
109.06485	4.2
109.10112	10.3
110.07153	2.1
111.04445	4.6
111.08044	3.9
113.96381	2.6
116.98607	3.1
117.07018	3.2
119.08553	10.6
121.06538	2.9
121.10126	96.0
123.08051	7.1
125.05972	2.4
125.09613	4.9
128.06250	2.1
129.05453	2.9
129.06995	8.0
131.08562	18.4
133.10136	4.0
134.99654	3.5
135.11699	5.6
137.09630	2.5
139.07512	2.0
139.11162	29.8
140.06825	1.6
141.06961	2.2
142.07788	2.6
142.12314	1.8
143.08539	3.8
145.10100	3.8
147.11652	3.1
149.09610	23.6
149.13252	3.2
152.06207	2.6
153.07016	2.4
155.08473	1.7
157.10001	2.8
158.01222	2.1
159.11667	3.5
163.11154	1.7
167.08578	3.3
167.10651	23.5
170.11868	2.8
171.11610	2.7
177.12752	2.8
179.56570	1.9
183.08075	1.8
185.11668	3.0
185.13239	2.6
195.08180	3.3
195.10172	2.3
199.11249	1.9
205.12288	4.5
207.10193	2.3
209.03087	2.8
213.09059	3.2
223.13287	6.8
241.08531	10.9
241.14165	55.3
241.19630	9.4
241.21597	3.3
258.26816	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.143
Annotation	5OH-HIP
Peak:m/z	Relative Intensity
53.03932	1.9
55.01851	2.2
55.05498	10.3
57.03427	1.5
57.07064	3.4
67.05494	11.4
69.03418	9.0
69.07058	7.0
69.81828	8.7
71.04977	5.2
79.05484	7.0
81.03407	1.5
81.07061	9.8
83.04966	3.6
83.08594	2.5
84.08119	2.4
85.02888	3.0
87.04491	1.4
91.05465	8.3
93.03700	2.3
93.07027	22.1
95.04961	5.1
95.08597	16.0
97.02881	2.3
97.06503	2.5
97.10154	1.6
98.97543	2.2
99.08073	1.6
105.07009	6.2
107.08576	49.3
109.06487	4.7
109.10149	11.9
111.04449	1.7
111.08044	2.6
116.98615	2.0
117.06995	2.5
119.08553	20.3
120.08083	1.2
121.06500	20.3
121.10136	17.8
122.07277	4.8
123.08059	20.9
125.09587	2.3
131.08557	4.8
132.95708	1.2
133.10115	7.5
135.06984	1.4
135.08043	43.2
135.11670	43.4
137.09599	73.1
141.96262	1.4
144.09306	1.9
147.08049	1.4
149.05998	1.6
149.09589	2.8
149.13239	34.3
153.09081	1.7
153.12740	1.9
155.08781	1.3
159.11687	19.2
163.07513	3.4
163.11156	4.2
165.09016	2.2
167.07048	1.6
177.12723	100.0
179.03352	3.2
179.14220	1.2
181.08591	8.9
181.12225	1.4
185.36673	1.2
195.13754	23.4
205.12224	12.0
207.06549	1.6
223.09840	1.7
223.13269	35.7
241.14250	2.6
241.21660	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1431
Annotation	5OH-HIP
Peak:m/z	Relative Intensity
51.11506	1.6
53.03924	3.6
55.01861	8.7
55.05505	20.5
56.05010	1.8
56.96531	2.8
57.03428	45.9
57.07069	2.4
65.03919	1.9
67.05164	2.1
67.05492	34.0
69.03412	12.4
69.07059	18.9
70.06560	7.7
71.01321	3.7
71.04979	9.2
71.53425	2.4
72.08141	3.8
75.02641	2.2
79.05480	70.2
81.03407	10.5
81.06644	1.7
81.07050	21.7
82.06564	2.4
83.01292	1.6
83.04964	17.3
83.05413	2.6
83.08601	12.4
84.08151	8.4
84.08538	1.6
85.02895	10.5
85.06508	3.1
86.09670	7.2
87.04453	2.8
91.05465	26.7
93.03667	4.9
93.07027	80.3
95.04921	5.8
95.08592	31.5
97.02850	6.3
97.06504	11.7
97.10117	3.8
98.97537	5.4
99.04423	7.5
102.65464	1.6
103.03928	19.0
103.05422	2.4
105.07016	22.2
107.04909	5.9
107.07853	2.9
107.08581	46.4
109.06535	11.3
109.10107	7.8
110.07132	3.5
111.04407	3.6
111.08054	4.6
111.11646	2.1
115.03892	2.8
116.98569	6.9
117.05646	2.7
117.06972	2.8
119.08562	18.1
120.08060	3.8
121.06471	12.6
121.10124	100.0
123.04422	3.3
123.08045	16.8
123.92345	1.7
124.02154	11.5
125.05939	3.3
125.09573	6.3
127.03880	2.4
129.05406	4.1
129.06956	4.1
129.10239	3.5
131.08549	33.9
133.06586	2.4
133.10086	7.3
134.99583	4.5
135.08052	18.3
135.11700	9.2
136.02068	1.7
137.09601	16.6
139.07481	3.1
139.11124	10.1
145.10115	8.1
147.07979	4.8
147.11609	2.8
149.05925	2.1
149.09599	71.2
149.13232	3.8
150.03665	9.1
151.07426	2.0
151.11115	5.8
153.05498	1.9
153.09039	1.8
155.10570	3.7
159.07985	3.5
159.11636	7.0
160.08812	3.3
161.09605	3.1
163.07481	3.1
163.11159	13.5
165.09042	6.7
167.06998	3.2
167.10641	22.2
170.07054	5.6
175.11122	13.2
177.00606	2.6
177.09059	3.9
177.12703	13.3
179.10590	2.9
181.04919	2.0
181.06377	2.1
181.08560	2.1
181.12184	3.7
187.11086	3.0
195.13669	2.3
205.08513	3.2
205.12190	9.5
214.05327	3.8
223.09660	4.1
223.13205	31.5
237.02806	2.8
241.06891	3.7
241.08879	2.5
241.14249	61.3
241.19342	2.6
241.21516	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	241.0492
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96551	16.2
69.15359	4.0
70.10382	19.2
70.10802	8.1
81.03400	8.1
82.01386	4.1
85.02889	8.4
87.11682	4.2
88.19841	5.0
89.04810	4.2
92.09640	4.5
98.21511	4.1
98.97564	100.0
100.97362	3.9
109.02836	5.2
116.98596	87.5
119.01882	12.3
120.01978	5.1
134.99617	32.0
140.00169	5.9
142.03500	4.9
145.00441	6.5
150.68842	5.1
152.46629	4.0
153.00655	5.9
156.97450	20.1
157.00426	5.7
157.97519	9.5
158.01222	20.2
166.01027	7.7
170.01196	4.2
174.98589	30.6
175.98685	5.8
177.00737	17.5
178.49527	9.0
183.96501	4.4
186.48347	11.7
186.98410	5.3
187.48317	8.8
194.17360	4.3
195.01843	9.8
198.98524	15.6
199.01617	8.9
200.01308	4.6
202.44771	4.4
203.97031	11.1
204.26797	4.1
208.01987	33.3
208.52151	11.9
209.01993	9.7
214.96335	9.2
216.99471	20.9
217.02573	26.6
217.52586	11.4
217.93723	7.0
217.99619	9.3
226.03065	17.6
226.46365	5.9
226.53160	5.8
229.02518	6.0
240.99652	9.7
258.96359	18.2
258.99774	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	241.1429
Annotation	5OH-HIP
Peak:m/z	Relative Intensity
53.03933	2.8
55.01850	1.9
55.05502	10.8
57.03423	3.9
57.07055	4.2
67.05495	13.2
69.03416	17.0
69.07051	10.4
69.97179	6.6
71.04970	5.2
71.08612	1.8
73.02888	1.8
79.05476	10.8
81.03381	2.8
81.07039	12.4
83.04956	5.8
83.08585	3.2
84.08109	1.6
85.02887	4.7
85.06522	3.7
86.09657	1.7
87.04444	1.1
91.05471	9.9
93.03699	2.1
93.07033	25.4
95.04946	6.2
95.08584	16.2
97.02871	3.2
97.06496	4.8
98.20798	1.4
98.97569	3.0
99.04437	2.1
99.08084	1.5
101.05988	1.2
105.03374	1.1
105.06988	7.2
107.04927	2.8
107.08573	48.2
109.06508	6.6
109.10126	12.8
110.07166	1.7
111.04427	2.0
111.08091	2.7
113.05973	1.4
116.98592	2.5
117.06982	4.9
119.07726	0.8
119.08553	21.9
121.06484	21.2
121.10123	21.4
122.07301	5.6
123.08043	26.0
125.06013	1.6
125.09678	5.3
127.07533	1.7
131.08548	4.6
133.10117	8.9
134.99658	1.4
135.08026	50.4
135.11664	42.4
137.09590	71.9
139.07509	3.9
139.11156	17.5
139.35728	1.4
144.09348	1.7
145.10107	3.5
147.07964	1.7
147.09039	1.3
149.05896	1.3
149.09583	5.1
149.13229	35.7
151.07526	1.6
153.09074	2.5
159.11661	23.0
161.13255	2.0
163.07486	4.1
163.11075	6.5
165.09067	1.4
167.07042	2.5
177.00668	1.4
177.12715	100.0
181.08571	10.8
181.12172	3.7
195.13774	28.9
205.08502	1.4
205.12202	12.7
223.09760	1.8
223.13251	37.1
229.45311	1.3
241.08521	2.3
241.14316	4.4
241.19638	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.2364
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00296	0.6
53.03937	0.8
55.05503	15.3
57.07066	100.0
63.24733	0.4
63.32904	0.4
65.03934	1.2
67.05493	34.6
69.07057	18.2
70.04108	1.5
70.04531	0.6
71.04972	1.0
71.08620	67.7
79.05474	2.4
81.03413	1.0
81.07043	40.5
81.86761	0.4
83.08605	22.4
85.06522	2.3
85.10170	32.1
89.06022	2.2
91.05437	0.4
93.07033	2.0
95.08592	60.5
97.10158	10.4
99.04441	2.4
99.08073	1.0
99.11739	1.2
107.08553	0.6
109.06497	0.4
109.10137	21.5
111.11697	1.1
120.21318	0.5
123.11679	6.3
125.13274	0.6
133.08556	0.9
133.10228	0.5
137.13274	3.0
147.01813	0.4
147.07962	0.5
151.14818	1.0
165.16406	0.7
221.22517	0.7
224.21974	0.4
239.08737	1.1
239.14442	0.7
239.18198	0.7
239.23625	2.3
249.58337	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.2364
Annotation	Bombykol
Peak:m/z	Relative Intensity
53.03925	0.6
55.05502	14.5
57.07066	100.0
65.03944	1.1
67.05493	32.7
69.07057	17.0
71.04964	0.7
71.08620	63.3
71.63293	0.8
72.04508	0.6
76.82972	0.4
79.05479	2.5
81.03423	1.4
81.07043	36.6
83.08605	22.6
85.06534	2.6
85.10168	29.7
88.02210	0.4
89.06020	0.7
91.05431	0.5
93.07037	1.6
95.08591	54.1
96.08939	0.4
97.10155	9.9
99.04443	0.4
99.08070	0.8
99.11717	1.4
107.08596	0.5
109.10139	20.6
111.11697	1.6
119.08590	0.4
121.10160	0.4
123.11687	7.7
124.39471	0.4
125.13289	0.7
137.13263	2.3
151.14769	0.9
179.17924	0.5
239.08563	4.2
239.12764	0.7
239.17976	0.6
239.23640	2.1
240.09143	0.9
241.66653	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.2001
Annotation	12-Hydroxy-trans-nerolidol
Peak:m/z	Relative Intensity
53.00295	1.0
53.03933	3.9
55.01847	1.5
55.05500	19.5
57.07068	28.4
59.04967	1.5
65.03934	2.0
66.32157	1.0
67.05495	63.8
69.03416	1.2
69.07059	33.6
71.04977	3.9
71.08624	13.2
71.63001	1.8
72.84586	0.9
73.02883	1.7
79.05479	8.9
81.03416	6.3
81.07046	95.0
83.04953	3.4
83.08607	20.0
85.06538	3.2
85.10183	4.8
89.06020	5.7
91.05460	6.1
93.07028	7.8
95.04958	6.4
95.08594	100.0
96.08940	1.0
97.06519	2.3
97.10162	16.7
99.04439	40.4
99.08057	1.1
101.18355	1.0
105.07024	5.6
107.08584	6.4
109.06510	6.6
109.10142	56.2
111.08072	1.5
111.11715	7.2
119.08553	5.6
121.06526	1.8
121.10136	7.0
123.08063	3.9
123.11691	22.8
125.09651	1.4
127.07564	1.3
133.08569	2.5
133.10086	5.1
135.11638	2.1
137.09589	2.4
137.13239	12.8
141.09113	1.0
147.07973	5.2
147.11668	4.4
149.09590	2.5
149.13219	1.2
151.11171	3.3
151.14778	2.2
161.13293	2.4
165.12746	1.1
179.17934	2.6
189.12698	6.8
193.19484	15.2
198.18556	2.1
203.07085	1.4
203.17978	10.0
221.08070	1.9
221.11807	1.1
221.15347	2.6
221.19008	12.4
239.08821	5.3
239.10941	1.5
239.14406	2.6
239.16365	7.9
239.20088	5.3
239.23709	1.1
240.16945	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.2209
Annotation	Bombykal
Peak:m/z	Relative Intensity
53.03934	1.8
55.01856	0.9
55.05503	44.4
57.03413	2.9
57.07069	19.0
65.03916	1.4
67.05496	45.2
68.05837	0.8
69.07059	54.4
69.47121	6.4
71.04963	2.8
71.08628	7.9
71.43158	0.7
79.05482	25.8
81.07047	57.4
83.04969	2.7
83.08611	50.7
85.06514	2.7
85.10151	3.0
87.08079	0.9
88.36658	0.7
91.05473	4.1
93.07030	32.5
95.04932	1.4
95.08595	41.2
97.06516	19.9
97.10159	27.3
99.08086	2.2
105.06999	1.0
107.08578	24.0
108.30582	0.7
109.10136	18.7
111.08075	12.7
111.11713	4.8
112.19502	0.7
113.09624	1.7
115.11160	1.9
117.29018	0.7
121.10128	56.0
123.11695	19.0
125.09608	4.9
125.13197	1.1
127.11168	2.0
132.75624	0.6
135.11673	47.3
135.49713	0.7
136.12044	1.3
137.12294	1.0
137.13239	13.6
139.11168	3.9
141.12727	3.6
146.05971	0.7
149.13235	15.6
151.14754	2.0
153.12730	1.8
154.08015	0.8
155.14308	1.4
163.14790	7.5
167.14235	1.2
177.16353	3.9
192.06480	1.7
209.11624	2.2
212.59204	0.7
219.21051	54.1
220.21265	0.8
236.05037	0.7
237.22095	100.0
238.22343	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1118
Annotation	CHEBI:66709
Peak:m/z	Relative Intensity
53.03933	1.6
55.01859	1.3
55.05487	3.1
56.96559	4.7
57.03429	37.6
57.07055	4.0
59.06106	1.3
67.05486	5.6
69.03403	2.5
69.07051	3.4
69.31110	11.1
70.06574	1.6
71.01332	3.0
71.04975	2.4
79.05463	3.8
81.03403	2.4
81.07053	6.9
83.04953	3.1
83.08582	2.8
84.08125	1.5
85.02856	1.3
85.06518	1.5
86.09694	1.5
88.10309	1.2
91.05480	4.7
93.07037	7.8
95.04934	3.2
95.08594	5.5
97.02853	1.5
97.06509	2.5
98.97562	1.0
99.03832	2.1
99.04447	32.4
103.05449	2.7
105.03388	18.1
105.07001	3.6
107.04923	1.9
107.08592	5.2
109.02832	1.0
109.06520	7.2
109.10165	2.3
110.07139	2.3
111.04438	1.5
111.08038	1.5
113.48592	1.0
115.96450	1.7
116.97227	1.4
117.07019	2.0
119.01991	0.9
119.08514	2.3
120.08124	1.2
121.02829	0.9
121.06484	1.5
121.10124	4.7
123.08047	1.6
123.11714	1.3
125.05970	3.4
125.09588	1.3
131.08557	3.2
133.10112	2.4
135.08011	1.3
135.11694	1.4
137.05936	2.3
137.09566	1.3
139.07536	1.6
142.25208	0.9
145.10124	1.5
146.05972	3.0
147.11653	1.3
149.02341	1.9
149.05963	21.9
149.09590	4.3
151.11163	1.3
153.05466	1.9
157.03351	3.6
159.08046	1.2
159.11742	1.8
159.53604	1.5
161.09531	1.1
163.07436	2.4
163.14761	1.0
165.03300	1.2
165.05461	1.7
167.14191	1.0
168.52243	2.2
168.54124	3.8
172.95174	1.2
173.13307	1.4
177.09087	100.0
177.52707	1.2
177.55418	1.2
178.09499	1.5
180.05019	1.1
184.05670	4.0
186.56049	1.1
190.96236	1.1
191.10449	1.0
191.14172	1.6
194.09727	1.1
195.56438	2.1
201.16388	1.3
203.07001	3.8
205.06813	1.2
205.08601	18.3
207.05365	1.4
219.06535	2.7
219.10098	1.4
219.13841	2.8
219.17442	1.8
233.08057	1.5
237.05544	1.0
237.07515	4.1
237.11159	32.9
237.14616	6.6
237.18495	3.4
237.22163	3.2
240.62961	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1119
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	1.0
55.01859	1.2
55.05496	1.9
57.03429	10.0
57.07067	1.3
65.91022	0.8
67.05493	2.2
69.03416	1.9
69.07040	3.2
69.95908	3.4
69.96344	1.3
70.06592	4.9
71.04987	1.0
71.06911	1.3
72.08144	1.5
75.04470	4.1
75.33939	0.7
79.05475	3.0
81.03410	0.8
81.07062	3.4
81.07464	0.7
83.04967	1.7
83.08635	0.8
84.08122	2.9
85.02888	1.2
85.06541	0.8
86.09692	9.7
88.02209	0.8
91.05473	4.1
93.07028	3.4
95.04958	1.4
95.08595	3.2
96.18580	0.7
97.02932	0.8
97.06505	1.2
99.04453	0.8
102.04642	3.4
103.05459	30.9
105.07018	7.4
107.04942	3.1
107.08559	3.2
109.06585	0.7
109.10170	1.3
110.07127	1.0
110.93594	0.7
115.05428	1.7
115.08596	0.7
116.05338	0.8
117.06990	1.9
119.04944	1.4
119.08563	1.2
120.08099	1.8
121.06462	1.4
121.10117	1.3
128.06177	0.8
129.07007	1.6
129.10199	2.2
129.99106	0.7
130.04137	15.4
131.04915	84.7
131.08511	1.9
132.05243	1.3
132.10196	0.9
133.06482	5.1
135.08073	1.7
135.10233	0.8
137.05968	1.5
137.09584	0.9
145.06473	2.1
145.10129	1.0
147.04396	4.2
148.05173	100.0
149.05705	1.0
149.09595	0.8
149.13187	1.1
151.11145	0.8
151.66426	0.7
153.05383	0.8
157.06488	1.2
159.08084	1.4
159.11746	1.5
160.05161	2.9
161.05971	20.4
162.06741	10.2
163.07526	76.7
164.07829	0.8
173.06036	0.9
173.09598	1.6
173.13257	1.2
175.07487	3.5
176.96930	1.2
177.05424	1.7
177.12860	0.8
179.06808	0.8
181.08589	2.1
189.09091	1.7
191.06970	1.6
191.14285	1.0
192.06488	1.0
201.09123	2.6
201.12306	0.7
201.47525	0.7
204.07797	2.3
205.08583	1.0
211.11839	1.7
219.06569	2.6
219.10176	2.9
219.13808	1.6
219.15730	1.8
219.21072	1.1
224.53342	0.7
237.07378	1.6
237.11096	5.7
237.14645	3.4
237.16533	3.5
237.22124	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1118
Annotation	Carboxyibuprofen
Peak:m/z	Relative Intensity
53.03941	3.6
55.01854	4.1
55.05508	16.6
56.05034	5.8
56.96550	9.8
57.03430	5.2
57.07061	10.7
59.04992	7.5
60.04507	4.6
65.03952	3.1
67.05501	23.4
69.03420	23.6
69.07062	24.0
70.06580	37.7
71.04983	4.7
71.06903	5.2
71.62482	5.0
72.08142	26.7
74.06064	5.2
75.42052	3.0
79.05479	23.0
81.03382	7.2
81.07034	17.1
83.04957	11.9
83.08614	7.4
84.04491	10.0
84.08128	56.2
85.02875	5.9
86.09195	4.6
86.09692	53.1
88.03963	5.4
91.05471	27.0
93.07053	24.2
95.04938	8.7
95.08594	28.3
97.02879	6.9
97.06524	4.9
97.10133	3.1
103.05453	9.2
105.07015	40.8
107.04942	18.7
107.08563	22.6
109.02869	14.6
109.06483	11.3
109.10098	9.4
110.07144	7.2
111.04417	8.5
115.05395	4.4
117.07008	10.8
118.06523	4.2
119.04908	3.9
119.08556	40.0
120.08094	19.8
121.06496	17.3
121.10113	23.2
123.08064	16.5
123.11667	4.8
125.09609	4.7
129.06961	7.9
129.10214	27.9
131.04926	15.3
131.08553	11.5
133.06479	8.6
133.10077	10.4
135.04393	10.2
135.08023	100.0
135.11633	9.1
136.07503	3.8
137.05946	15.2
142.07726	9.2
145.02812	4.7
145.06447	11.5
145.10085	27.8
146.06012	14.6
146.07103	4.2
147.04375	20.2
147.06894	3.3
147.08015	13.0
147.11696	16.4
148.05197	8.4
149.05960	11.0
149.09605	46.1
149.13130	3.4
150.05650	3.2
151.07512	9.1
152.07076	2.9
153.01691	3.3
153.05417	17.9
155.08548	3.5
156.07719	3.4
157.10040	8.2
158.07202	4.6
159.08031	7.6
160.08810	22.4
161.05942	8.3
163.03880	32.3
163.07520	21.4
163.11185	20.9
163.14857	3.5
165.05405	3.6
165.12683	3.4
166.08574	7.0
169.02019	2.8
171.06493	50.6
173.05995	3.4
173.09566	25.4
173.13271	3.3
175.07503	11.5
175.11148	83.0
177.01865	5.6
177.05441	5.9
177.09076	7.0
187.14284	4.0
191.03349	3.5
191.06984	7.8
191.10631	84.3
192.06563	11.5
193.08525	6.1
193.12234	17.0
195.03009	3.2
195.06558	15.5
195.10150	3.5
196.00253	6.6
201.09071	9.0
201.16437	3.2
203.11864	5.2
213.94113	4.3
215.03969	4.2
219.06584	20.5
219.10118	12.1
219.13658	4.0
219.15683	5.7
219.17561	3.7
219.21049	5.9
232.97581	4.1
237.04027	4.7
237.07333	30.2
237.10974	33.0
237.14684	7.3
237.16531	14.5
237.22008	23.0
249.02815	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	237.1116
Annotation	Methyl anodendroate
Peak:m/z	Relative Intensity
55.01855	1.1
55.05488	2.2
56.05011	1.0
57.03401	0.7
57.07058	1.7
59.04985	1.4
59.68018	0.6
67.05486	3.4
69.03413	1.0
69.07066	3.4
70.06562	0.7
71.04976	0.8
71.63122	0.8
72.08142	0.8
79.05476	4.4
81.03397	0.7
81.07032	6.8
83.04955	1.8
83.08581	0.9
84.08115	1.6
85.02879	1.3
85.06512	1.3
86.09708	1.1
91.05456	5.9
93.07021	3.6
95.04926	2.4
95.08586	5.0
97.06506	1.8
99.04452	0.9
99.08064	0.7
103.05438	0.7
105.03368	2.2
105.07006	30.7
107.04942	2.9
107.08569	4.0
109.06499	4.5
109.10117	2.3
111.08037	0.9
117.07041	1.3
118.06490	0.6
119.04929	2.1
119.08553	2.9
121.06485	5.8
121.10113	2.7
123.07980	0.8
123.11707	1.2
125.09591	1.1
129.06973	1.6
131.04861	0.7
131.08559	5.1
133.02821	5.9
133.06458	4.0
133.10109	1.6
135.04388	3.0
135.08005	1.7
135.11650	2.0
137.05952	3.3
137.09596	1.0
141.06935	1.6
142.07710	0.7
144.05664	2.6
145.02812	7.1
145.06456	1.8
145.10101	1.1
146.05966	0.9
147.08023	2.0
147.11676	1.6
149.05942	2.4
149.13206	0.8
151.03860	1.2
157.10049	0.7
158.07230	2.1
159.08011	4.1
159.11679	1.7
160.08749	1.4
161.06017	0.7
161.09557	1.4
163.03831	3.1
163.07497	1.9
163.11151	1.0
163.14711	0.8
165.05446	34.0
167.14404	0.6
169.06349	1.3
169.07655	1.3
173.09673	2.8
173.13173	1.0
175.11201	1.3
177.05440	38.8
177.08878	1.2
177.12636	1.3
186.06763	0.9
187.07497	22.1
191.06995	2.4
191.10545	2.8
191.14288	1.4
192.06544	1.8
201.09064	1.1
201.16313	0.8
205.08565	28.3
219.06575	6.9
219.10112	9.5
219.13734	2.6
219.17351	1.7
219.20958	0.8
237.07722	6.3
237.11165	100.0
237.14542	4.6
237.18523	2.1
237.21854	4.5
238.11276	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.0866
Annotation	L-Formylkynurenine
Peak:m/z	Relative Intensity
55.01868	0.6
55.05485	1.9
56.96535	0.5
57.03422	0.6
57.07053	1.3
64.98528	0.4
65.03934	0.6
66.88223	0.4
67.05486	1.5
69.03388	0.6
69.07064	2.1
69.51520	1.3
69.51938	2.9
70.06587	3.5
71.04972	0.6
72.08147	3.0
73.02898	0.5
74.02431	5.5
77.03962	0.6
79.05476	1.4
81.07042	2.4
82.40238	0.4
83.04974	1.5
83.08607	1.0
83.73563	0.4
84.04462	0.5
84.08134	3.4
85.02858	0.7
85.06503	0.6
86.09705	2.9
88.03975	0.5
91.05447	2.4
92.04986	0.7
93.07064	2.1
94.06559	10.0
95.04946	1.1
95.08591	1.9
97.02856	0.5
97.06500	0.8
97.10135	0.5
98.20789	0.8
99.00798	2.5
99.08070	0.5
104.04962	2.1
105.06999	1.5
107.04965	0.9
107.08578	1.1
109.10136	1.0
110.06028	0.8
116.98578	0.5
117.07020	0.4
118.06524	12.2
119.04948	0.7
119.08575	1.1
120.04449	3.5
120.08080	11.2
121.06525	0.5
121.10119	1.2
122.06029	0.8
123.08070	0.7
123.11745	0.6
125.09595	0.5
128.04948	3.5
129.10220	1.5
130.06499	4.4
132.04437	4.0
133.10120	0.5
135.08020	1.2
135.11665	1.2
136.07561	17.8
137.05931	0.5
145.06456	0.7
145.07542	0.5
145.10078	1.1
146.05988	100.0
147.06403	1.5
148.03928	5.8
148.05096	0.7
149.09558	1.1
149.13194	0.5
150.05478	3.9
156.04472	0.9
157.07568	4.0
158.06026	1.4
159.09172	0.6
160.08842	0.5
161.05984	0.9
163.08656	0.9
163.11211	0.7
164.07103	3.0
165.03415	0.5
165.05270	0.4
166.08624	9.2
167.72998	0.5
172.95265	0.7
173.07144	1.1
173.09601	0.7
173.13300	0.6
174.05490	14.9
175.08728	0.6
175.11171	0.5
176.96919	0.7
177.05464	0.7
177.09053	0.5
190.92476	0.7
190.96283	0.4
191.06677	0.8
191.08234	5.4
191.10576	1.0
192.06519	14.3
202.04994	6.0
203.08089	2.6
209.09264	0.5
213.94119	1.9
216.55547	0.5
219.06039	2.7
219.09964	0.8
219.17366	0.6
219.20961	0.6
220.06042	6.6
220.08258	0.7
228.14616	0.5
237.08949	9.0
237.11043	0.9
237.12752	0.7
237.14859	1.1
237.18425	0.5
237.22058	3.2
239.05846	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	236.1641
Annotation	Huperzine W
Peak:m/z	Relative Intensity
56.25033	0.4
68.05014	0.5
68.93987	0.4
70.06582	97.2
71.06661	1.2
72.04717	0.4
73.95751	0.4
79.05476	0.5
81.07056	0.9
83.07347	0.9
84.08125	1.2
86.09675	1.1
86.58752	0.5
88.57757	0.4
91.26391	0.4
93.07035	0.4
96.08126	0.9
105.07018	1.5
107.04936	23.9
110.09673	0.6
112.11247	2.2
121.06557	0.6
124.11204	1.0
133.06470	8.5
145.06487	1.0
147.07970	1.0
159.08017	1.5
189.77400	0.6
201.12653	0.5
218.15370	31.7
236.16414	100.0
237.16690	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.0754
Annotation	STELLATIN
Peak:m/z	Relative Intensity
53.03935	0.4
53.75497	0.2
55.01872	0.7
55.05516	0.4
56.96557	0.3
57.03419	0.2
57.07064	0.5
59.04988	0.3
65.03936	1.8
67.05499	3.5
68.99774	3.0
69.00114	0.3
69.03423	1.0
69.07056	0.7
69.72193	1.4
71.04982	0.4
74.58308	0.2
79.05495	1.1
81.07030	1.1
83.04968	0.7
83.08620	0.4
83.81534	0.2
85.02895	9.7
85.25423	0.2
86.66231	0.2
91.05467	1.5
93.03413	1.2
93.07041	1.3
95.04959	6.2
95.08604	1.0
97.06532	0.9
105.07008	0.9
107.04929	0.4
107.08585	0.8
109.06490	0.3
109.10155	0.7
111.04460	0.8
118.06546	0.3
119.04936	0.4
121.02858	5.6
121.03703	0.5
121.06479	0.6
121.10138	0.5
123.04414	3.0
123.11658	0.2
125.05972	0.5
129.07028	0.3
131.05013	0.3
133.10085	0.3
135.11687	0.4
137.09602	0.3
139.01758	0.3
139.03864	1.3
141.05434	4.5
145.10124	0.5
146.05952	0.4
147.04416	1.3
149.01134	0.4
149.02324	8.3
149.05992	1.2
149.09583	0.3
150.67377	0.2
151.03896	0.7
153.05446	100.0
154.05780	1.5
159.11652	0.5
163.07466	0.3
164.06927	0.3
165.03407	0.5
165.05479	0.8
167.03403	2.0
169.04901	0.7
170.35748	0.2
177.05435	6.8
177.09036	0.3
177.12743	0.3
179.03372	28.7
180.03723	0.5
181.10025	0.3
191.14322	0.4
192.06528	0.6
193.04996	0.5
193.09961	0.4
195.06509	13.9
195.11696	0.7
197.04431	23.6
198.04778	0.3
207.11658	0.5
219.06511	0.7
219.17493	0.3
219.21011	0.4
222.14038	0.7
237.07538	32.7
237.14653	0.8
237.16420	1.3
237.18448	0.7
237.21967	1.2
238.07870	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.2052
Annotation	Callicarpenal
Peak:m/z	Relative Intensity
53.03932	1.2
55.01852	2.4
55.05504	14.0
57.03410	3.4
57.07066	27.0
58.06580	1.1
65.03913	2.6
67.05493	83.4
69.03403	3.6
69.07056	14.1
69.38175	11.5
71.04948	2.2
71.08617	6.6
79.05479	24.4
81.07043	100.0
83.04951	3.8
83.08603	9.4
85.06533	10.3
85.10159	3.6
86.09202	1.8
86.09692	23.2
90.60448	0.9
91.05457	24.3
93.07030	24.3
95.04935	3.6
95.08592	78.8
97.06515	10.8
97.10123	4.4
98.21475	2.6
99.08080	12.4
105.07009	14.5
107.08587	16.0
109.06493	4.5
109.09452	1.8
109.10141	28.3
111.08057	8.2
113.09647	8.0
119.08560	16.6
121.10121	17.4
123.04402	1.3
123.08038	5.0
123.11694	16.9
125.09626	1.1
127.11132	4.2
128.06224	1.8
129.06921	3.2
130.07373	1.6
131.00146	1.2
131.07628	2.0
131.08510	2.7
133.06563	0.9
133.10112	24.0
135.11661	17.4
137.09575	2.7
137.13240	24.5
139.11108	1.7
147.07953	1.2
147.11659	14.6
149.13214	4.5
151.11142	4.1
151.14787	11.8
153.12697	2.9
159.07988	1.9
161.08658	2.2
161.13229	13.9
163.14809	1.8
174.05649	2.1
175.14754	7.9
179.10658	6.5
187.07471	3.6
188.07808	1.9
189.08060	11.2
189.12703	1.3
189.16360	3.7
191.17860	2.0
197.04973	1.3
202.05188	4.3
207.05789	1.1
208.76167	1.1
215.06947	4.5
217.07552	31.2
217.19482	50.9
235.06142	1.8
235.08568	26.9
235.13402	7.3
235.16820	26.7
235.20505	93.0
236.08893	1.3
236.20781	2.1
254.43742	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1799
Annotation	Lidocaine
Peak:m/z	Relative Intensity
56.42466	0.2
58.06586	3.7
66.60153	0.2
69.15915	0.2
69.66843	0.7
69.67277	0.7
86.09687	100.0
87.10036	0.7
112.10930	0.2
132.71831	0.2
150.27969	0.2
211.61443	0.2
235.17999	25.0
236.18303	0.3
241.02852	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.205
Annotation	Callicarpenal
Peak:m/z	Relative Intensity
50.92885	0.9
51.87164	0.9
53.03925	1.3
55.01847	2.0
55.05501	13.3
56.43215	1.1
57.03432	1.7
57.07063	21.0
58.06562	1.4
59.04973	1.6
65.03915	2.0
67.05493	57.4
69.03399	4.1
69.07054	19.0
69.43400	3.2
69.43819	6.1
71.04964	5.6
71.08599	3.7
73.06545	1.0
79.05476	25.9
81.07042	76.7
83.04951	4.2
83.08611	9.4
84.08091	1.2
84.77267	1.1
85.06527	7.3
85.10151	1.5
86.09689	36.9
88.28564	1.1
91.05458	21.1
92.05790	1.2
93.07024	36.2
95.04931	3.4
95.08588	71.5
97.06511	19.7
97.10136	5.3
99.04424	1.2
99.08060	6.4
105.07010	28.5
107.08575	33.1
109.06486	5.7
109.10138	32.4
111.08058	4.8
111.11674	1.6
113.09632	2.6
115.05479	1.0
117.07007	1.6
119.08556	40.1
121.06455	4.3
121.10123	42.1
123.08093	4.7
123.11678	14.3
125.09595	3.3
127.07569	1.3
128.06177	4.5
129.07042	7.2
130.07358	2.6
131.00099	1.3
131.07616	4.5
131.08554	5.7
133.06445	1.6
133.09088	1.6
133.10103	33.7
135.08034	3.6
135.11667	33.9
137.05971	1.6
137.09583	8.3
137.13213	8.3
139.11125	4.3
142.07726	1.2
143.08546	3.7
145.10104	3.7
146.06218	1.4
147.07999	5.4
147.11658	22.4
149.01157	1.4
149.08548	1.4
149.09637	2.1
149.13240	8.7
151.11127	6.1
151.14777	6.4
153.12796	1.8
157.10065	4.4
159.04538	1.2
159.08038	5.2
159.11653	4.3
160.08340	2.2
161.08525	4.6
161.09706	9.6
161.13239	17.4
163.14816	2.3
165.12718	1.6
171.11681	3.5
172.05156	3.1
173.05544	1.6
173.13264	6.1
174.05789	3.7
175.11125	4.4
175.14763	9.1
177.12711	1.3
177.16309	3.3
179.10651	9.4
179.14200	1.9
187.07545	11.3
187.14738	1.2
188.07837	3.8
189.08105	29.2
189.12692	3.1
189.16356	8.4
191.14268	4.2
191.17912	5.9
199.14772	4.1
201.04996	1.4
202.05193	8.1
207.02760	1.1
207.09172	1.6
211.94031	1.2
215.06982	10.9
216.07326	1.4
217.07565	74.8
217.12137	3.9
217.15947	22.7
217.19450	60.3
218.07809	3.3
220.05247	1.3
235.06059	4.5
235.08597	69.8
235.13216	3.1
235.16885	53.7
235.20500	100.0
236.08943	2.4
236.20854	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1687
Annotation	[S-(E)]-2-(1-Hydroxy-4-methyl-3-cyclohexen-1-yl)-6-methyl-2,5-heptadien-4-one
Peak:m/z	Relative Intensity
54.76698	1.6
55.01833	2.4
55.05493	8.7
57.07067	18.7
59.04974	2.6
59.69759	1.7
59.87773	1.8
63.10994	2.1
65.03902	2.0
65.05515	1.6
67.05493	15.1
69.03394	5.2
69.07056	17.6
69.47895	7.4
69.48328	6.6
71.04957	6.9
75.56131	1.8
79.05489	11.4
81.06636	2.1
81.07045	24.7
83.04935	4.0
83.08572	7.4
85.06509	5.2
86.09690	46.2
91.05448	16.1
93.07028	26.8
95.04934	6.6
95.08591	28.7
97.06490	7.5
105.07012	35.5
107.08575	29.3
109.06513	11.2
109.10144	15.4
111.08005	5.8
117.06989	5.1
119.08560	88.2
121.06448	3.6
121.10128	19.8
123.08018	7.0
123.11657	7.4
125.09603	2.4
128.06155	6.3
129.07050	11.8
130.07307	3.3
131.00117	2.3
131.07599	5.0
131.08521	18.1
133.06404	1.8
133.10114	53.0
135.08038	15.6
135.11662	13.9
137.09586	6.9
140.75957	1.8
142.07721	4.8
143.08556	11.8
144.09288	2.9
145.10097	17.3
146.07256	3.7
147.07968	7.8
147.11653	20.4
149.09579	4.6
149.13197	2.8
151.11180	8.7
153.29572	1.8
155.08377	1.8
156.09256	2.1
157.10101	11.9
158.10858	3.4
159.08008	7.2
159.11658	13.3
160.08650	3.4
161.09628	67.1
161.13168	5.7
171.11678	8.6
172.05128	2.5
173.05588	2.2
173.13219	23.7
174.05795	8.8
175.11188	13.3
175.14775	17.4
177.12654	5.4
179.10638	18.1
184.12376	4.0
187.07579	14.8
187.10979	3.1
187.14708	5.2
188.07787	6.2
189.08104	32.5
189.12659	2.6
189.16324	20.6
191.14268	2.5
193.15825	4.2
199.14796	15.5
200.04611	2.5
201.04811	2.4
202.05200	12.2
202.13431	2.5
212.24597	1.9
215.06987	11.4
217.07576	88.3
217.15843	94.3
217.18997	9.8
235.06183	4.0
235.08606	87.4
235.16830	100.0
235.20221	15.2
236.08804	2.4
253.33919	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1325
Annotation	Pterosin N
Peak:m/z	Relative Intensity
53.03931	2.4
55.01862	2.4
55.05495	3.0
57.03437	0.5
57.07062	3.3
57.49280	0.4
58.06569	0.4
59.04975	0.5
65.03918	0.8
67.05497	6.2
69.03422	3.3
69.07064	2.9
70.77637	1.4
71.04984	2.5
77.03912	0.8
79.05479	19.4
81.03415	0.9
81.07043	35.5
83.04962	5.2
83.08635	0.7
85.02894	0.9
85.06544	1.0
86.09692	17.9
87.19225	0.5
91.05466	16.6
93.07030	36.8
94.64738	0.5
95.04953	9.5
95.08038	0.6
95.08600	6.5
97.06519	9.8
99.04439	4.5
101.05988	1.5
103.05482	1.2
105.04512	1.5
105.07015	18.7
107.04941	8.3
107.08578	10.2
109.06500	29.1
109.10133	0.6
111.04417	1.3
111.08066	1.4
115.05458	1.3
117.06995	3.7
119.04899	1.1
119.08569	13.0
121.06485	100.0
123.04429	3.4
123.08041	4.1
125.05965	3.0
127.07533	9.8
128.06204	2.0
129.05571	0.6
129.06993	4.6
131.08546	4.0
133.06473	5.2
133.10121	6.0
135.04420	4.4
135.08028	4.8
137.05965	5.1
137.13188	0.5
139.03648	0.4
139.07523	5.4
141.05455	0.7
141.06955	1.1
142.07771	4.3
143.07222	0.9
143.08542	7.6
145.06488	1.3
145.10112	4.9
146.07220	0.7
147.04411	0.8
147.08041	4.9
147.11664	13.5
149.05945	0.7
151.07619	0.7
153.07010	0.5
155.08536	1.4
156.09352	4.6
157.06502	1.4
157.10107	14.2
158.07234	0.9
159.08031	1.9
159.11716	0.7
160.08893	0.9
161.05945	2.3
161.09605	2.1
161.13235	5.5
163.07629	0.6
163.11243	0.5
165.05606	0.7
165.06999	1.2
165.12735	0.5
166.07770	3.9
171.04381	1.5
171.08063	1.6
171.11664	16.3
173.09590	2.1
173.13240	1.5
175.07648	0.7
175.11162	23.1
177.09119	0.5
179.03331	0.8
179.07036	0.5
179.08583	0.4
179.10579	2.2
181.10118	4.6
184.08847	2.2
189.05443	5.4
189.09178	0.8
189.12717	21.2
191.06958	0.7
191.10503	0.7
193.12262	1.0
199.11156	27.3
200.11568	0.7
204.88968	0.5
207.13725	1.3
217.05074	3.2
217.12210	52.9
218.12677	1.0
235.05969	1.4
235.13263	35.3
235.17030	7.1
235.20743	0.8
236.13577	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.0961
Annotation	GTRI-02
Peak:m/z	Relative Intensity
55.05502	0.6
56.45395	0.5
56.95174	0.5
57.07063	4.3
59.63689	0.5
67.05486	2.7
69.03396	0.5
69.07024	0.5
70.03324	2.8
79.05513	0.9
81.07050	3.1
83.04965	0.5
86.09693	9.6
91.05470	7.9
93.03387	0.6
93.07040	2.3
95.04948	0.8
95.08589	2.5
99.66426	0.5
103.05441	0.8
105.07030	1.5
107.08575	1.2
109.10136	1.1
111.04460	0.6
111.08073	0.6
115.01012	0.4
115.05423	3.4
116.06244	2.0
117.06991	1.1
118.07822	0.6
119.08587	1.4
121.10185	1.5
123.04457	0.5
123.11720	0.6
124.05212	0.6
127.33213	0.5
128.06201	8.5
129.06990	25.0
131.04906	2.9
131.07658	1.0
131.08549	19.3
133.06451	1.1
133.10107	1.5
135.11732	0.8
137.05949	5.8
139.05402	5.4
141.03326	0.8
141.06996	2.3
143.04945	1.7
144.05688	4.2
145.06474	2.1
146.07286	2.0
147.08083	1.0
147.11751	0.7
149.13284	0.6
151.03882	1.9
151.11148	0.5
153.12743	0.6
155.06033	1.0
156.05678	1.2
157.06459	24.2
158.07277	2.1
159.04428	1.2
159.08020	10.2
159.09209	0.7
160.05138	0.7
161.05969	3.8
161.09676	1.2
165.05551	0.7
167.04947	1.8
169.07651	1.2
173.06009	1.2
174.03160	1.8
174.06769	10.3
175.03998	1.0
175.07590	4.0
176.08348	2.7
177.05508	1.4
179.03386	3.2
179.10674	2.3
181.04903	4.1
184.05194	1.1
185.05972	5.3
186.06813	1.3
187.07610	1.5
188.04604	0.7
189.05453	5.7
189.07883	1.0
189.09373	6.1
191.03412	1.1
191.07059	0.8
193.05035	1.0
199.07512	11.4
202.06377	4.4
215.07118	1.6
217.08652	66.0
217.19554	1.8
218.08949	1.8
220.07417	0.7
235.09665	100.0
235.16705	9.6
235.20618	3.0
236.09993	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	234.206
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	1.8
56.05021	2.0
56.96537	0.2
57.07055	0.6
58.06596	1.1
62.06077	0.7
67.05487	0.6
69.03422	0.2
69.07060	5.2
70.01138	0.7
70.01555	0.4
70.06579	0.7
74.06069	4.9
79.05486	0.4
81.07060	1.0
83.04963	0.5
83.08612	0.4
84.08121	0.6
86.09692	1.0
88.02191	0.2
88.07601	0.2
91.05454	0.6
93.07036	0.2
95.04932	0.3
95.08595	0.5
97.06507	0.3
98.09667	0.5
98.97558	0.3
101.05999	0.3
105.07011	0.7
107.08591	0.5
109.06483	0.3
111.04440	1.4
116.98570	0.2
119.08597	0.3
121.06481	0.5
128.14322	0.8
129.05423	0.2
129.06982	0.2
130.68513	0.2
143.08473	0.3
146.09535	0.3
146.10530	0.3
154.15919	1.8
155.07004	1.4
161.05952	0.5
161.09557	0.3
162.13614	0.3
164.11472	0.3
172.16939	100.0
173.08072	1.4
173.17276	0.8
175.11195	0.3
179.10767	0.3
188.10692	0.3
189.05400	0.3
189.09070	0.2
189.12762	0.2
192.03558	0.2
199.11183	0.2
216.11024	0.3
216.19566	5.6
217.04929	0.4
217.10628	4.1
218.11014	0.2
234.11292	0.6
234.15523	0.6
234.20610	7.1
235.05988	0.4
235.09569	0.3
235.13271	0.4
235.16924	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.0635
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	2.4
55.05498	4.5
56.05014	0.8
56.96562	2.6
57.03436	3.5
57.07068	15.9
58.06609	0.7
58.99577	9.7
59.05006	1.1
61.01160	2.7
61.30527	0.6
65.03930	1.9
65.70826	0.7
67.05495	21.8
69.03414	2.1
69.07069	2.0
70.06591	2.7
71.04984	100.0
71.61881	0.9
72.04514	1.2
72.08144	2.1
72.93792	0.7
73.02925	0.7
74.06079	1.6
74.29504	0.7
78.03784	0.9
79.05488	1.6
81.03419	0.7
81.07050	2.8
83.04973	2.5
84.04501	1.2
84.08121	2.5
85.01144	0.8
85.02910	3.5
85.06533	24.0
86.09691	17.3
86.99041	6.1
87.00797	1.5
89.00616	1.1
90.76855	0.6
90.94838	1.0
91.05446	3.2
93.07024	1.5
95.04953	18.6
95.08591	2.6
97.01024	0.7
97.02911	0.9
97.06529	1.9
98.97562	1.3
99.02662	2.3
101.04240	1.0
101.06026	3.3
102.03741	0.9
103.02161	1.4
103.03976	0.6
103.05473	1.0
105.00076	3.7
105.07001	2.0
107.04950	2.6
107.08602	1.4
108.05283	2.1
109.02837	0.9
109.06545	0.9
109.10143	1.3
110.07116	1.2
110.53217	0.6
111.02654	12.4
111.04430	3.3
112.99114	4.1
113.05989	91.1
113.96372	1.0
114.05563	3.1
114.06255	0.8
115.05431	5.2
116.98627	1.3
119.04928	1.0
119.08568	0.9
120.04797	2.4
120.08096	2.0
121.10110	1.1
121.95815	1.4
123.04392	1.5
125.04190	3.3
127.02125	4.5
129.03680	3.6
131.00159	10.8
131.07007	2.1
131.97408	1.1
132.95801	2.0
133.06458	1.6
134.99634	0.9
135.11572	0.8
136.07564	1.8
143.04897	9.2
143.08401	0.8
145.03131	0.9
145.06468	0.9
146.02708	0.9
147.04378	6.0
147.07982	1.1
147.11688	1.2
149.01202	10.5
149.02286	1.3
149.07359	1.6
150.96855	1.1
151.03859	1.0
153.03677	6.4
155.07050	0.9
156.07401	2.0
159.01067	1.3
159.11824	0.8
161.05954	14.5
163.01691	0.7
163.07547	0.8
165.05408	1.5
167.02255	1.9
171.04662	8.1
172.02867	0.8
173.02629	1.7
174.08466	1.7
174.96759	1.1
175.03915	2.1
175.07455	1.0
179.10667	9.1
181.02824	1.4
188.92421	1.3
189.05495	27.4
189.08965	1.0
191.08437	2.1
193.03725	0.8
193.92952	1.3
199.03905	1.0
207.06476	2.1
211.04893	1.8
211.94022	2.8
217.05220	27.5
217.08360	1.1
217.12227	0.7
217.19421	2.2
218.11018	5.1
234.98985	1.5
235.02464	1.0
235.06030	9.2
235.10948	2.1
235.16829	41.3
235.20132	4.2
253.05783	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1493
Annotation	H-Thr-Leu-OH
Peak:m/z	Relative Intensity
54.74695	0.3
56.05028	15.5
56.38656	0.3
56.96553	0.5
57.03426	2.9
58.06594	3.4
70.06583	0.4
70.28016	0.6
70.28411	0.7
74.06070	100.0
75.04476	0.7
84.04497	3.5
86.06078	0.3
86.09695	20.1
91.71364	0.3
98.53719	0.4
101.07123	1.4
121.71186	0.3
126.12775	0.6
132.10187	18.8
142.12285	0.7
143.11821	0.3
169.13388	1.6
178.60925	0.4
187.14392	10.3
202.55917	0.4
210.04678	0.5
210.47481	0.4
215.13896	4.7
233.14935	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	233.1492
Annotation	H-Thr-Leu-OH
Peak:m/z	Relative Intensity
55.05508	1.0
56.05024	17.1
57.03421	3.1
58.06588	3.5
66.11751	0.5
69.07039	0.9
70.00834	2.9
70.01196	1.1
72.08141	13.1
74.06066	100.0
75.04466	0.6
78.95635	0.8
79.13633	0.6
84.04479	2.8
84.08125	1.6
86.09691	30.6
91.05463	1.2
94.93010	3.5
101.07126	2.1
119.01891	0.9
120.06608	0.7
128.06186	4.2
129.06973	8.3
131.04868	0.9
131.08580	1.8
132.10185	18.2
132.11147	1.1
141.07071	1.0
142.12234	0.8
143.01891	1.2
144.05692	1.7
146.11926	0.7
147.08032	2.3
157.06447	1.4
157.07642	1.1
159.08009	6.6
161.02951	2.2
169.13358	1.9
171.81334	0.7
172.05153	4.9
173.08034	0.7
185.05898	1.2
187.07523	24.2
187.14388	12.2
190.91229	1.2
200.04697	6.9
205.08556	0.9
215.06984	46.6
215.13936	6.0
216.07280	1.3
232.92116	1.2
233.06288	26.5
233.08134	35.1
233.14882	16.1
233.99380	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1493
Annotation	Leu-Thr
Peak:m/z	Relative Intensity
51.21360	0.9
55.01856	2.0
55.05508	1.5
56.05026	1.0
58.99560	1.3
59.59771	0.9
65.03938	2.4
67.05497	1.2
69.91252	5.3
70.06580	5.2
71.01333	0.9
71.04993	4.4
71.06094	1.0
71.08623	25.4
72.04504	5.5
73.02893	3.4
74.02433	19.0
74.06059	1.9
79.37670	1.1
81.03403	2.2
82.02934	24.0
83.01342	2.3
85.02882	1.2
86.09699	6.6
88.11256	64.3
89.02389	5.0
92.32185	1.1
95.04980	4.7
96.04462	1.7
96.05724	2.5
97.01107	12.1
97.06492	2.1
98.20697	1.3
99.02645	3.1
99.05571	1.3
100.03969	6.6
101.02383	1.3
107.04974	1.1
113.05968	3.3
118.05016	7.1
121.71115	1.1
127.02123	19.1
128.03415	2.0
129.00046	3.5
129.06985	1.2
141.13831	4.0
143.01607	25.5
144.02327	3.8
145.03136	3.7
146.04465	31.0
154.57790	1.0
169.13342	100.0
187.07558	1.1
187.14374	5.8
198.11212	4.6
215.13881	24.1
216.12294	61.5
217.10680	1.1
217.12584	1.2
233.04778	6.0
233.08101	2.4
233.14926	37.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.117
Annotation	Drupanin
Peak:m/z	Relative Intensity
51.61081	0.6
53.03939	1.9
55.01863	2.3
55.05509	3.0
57.03423	1.2
57.07051	0.9
59.04995	0.6
61.23169	0.7
65.03934	0.8
67.05490	6.3
68.99786	1.3
69.03420	5.1
69.07061	5.4
70.06580	1.0
70.52949	0.6
70.93616	1.2
71.04974	3.8
72.08123	0.6
74.06055	1.1
79.05484	13.8
81.03403	1.7
81.07052	7.5
82.45707	0.5
83.04980	3.7
84.08154	0.7
85.02914	0.8
85.06530	2.2
87.00818	0.8
91.05471	16.2
93.07039	12.3
95.04419	0.8
95.04966	7.2
95.08591	3.7
97.06508	2.3
98.97582	1.2
99.04441	4.4
103.05444	1.1
105.03446	0.8
105.07018	27.9
107.04945	17.9
107.08582	7.3
109.06496	3.6
109.10147	1.8
111.04426	1.6
111.08064	1.0
113.06014	0.9
115.05428	2.8
116.06231	1.1
116.98592	1.3
117.07001	16.1
119.04925	5.0
119.08573	12.0
120.08096	1.4
121.06486	12.5
121.10114	5.3
123.08086	0.8
125.05963	1.1
127.03952	0.8
128.06187	5.3
129.06989	11.6
129.10222	0.8
130.07751	8.7
131.04897	1.9
131.08554	13.3
133.02773	0.8
133.06491	3.4
133.10126	6.0
135.04408	1.4
135.08031	5.5
135.11665	4.0
137.05948	2.2
137.09576	0.7
139.07545	1.0
141.06964	2.5
143.08537	6.7
144.05698	1.6
144.09306	2.9
145.06470	8.7
145.10101	66.3
146.10501	1.2
147.04422	0.8
147.08035	4.3
147.11667	6.4
148.08839	3.5
149.05948	1.7
149.09599	1.5
149.13232	0.7
151.07547	1.1
154.07753	2.7
155.05986	0.8
155.07127	0.9
155.08548	1.6
156.09360	1.1
157.06468	1.3
157.10121	1.4
158.07283	3.7
159.04327	0.8
159.08054	9.6
159.11679	16.9
159.12987	0.8
160.03893	1.1
160.05182	1.2
161.05998	2.9
161.09612	1.6
161.13239	1.2
163.07545	3.5
163.11160	95.8
164.11555	0.9
169.10080	5.8
171.08047	1.2
171.11636	2.5
172.05208	0.9
172.08827	2.0
173.05989	3.0
173.09601	100.0
173.13170	2.4
174.06769	1.1
174.09940	2.4
175.07494	2.6
175.11220	0.8
177.00755	0.9
177.05426	0.8
177.09076	2.2
177.12648	1.4
179.08545	1.1
185.09679	0.7
187.07535	16.2
187.11156	30.4
187.14743	2.3
189.09096	2.5
189.12650	3.6
190.05219	2.1
191.03384	4.1
191.10664	8.5
197.05847	0.8
197.09624	4.3
197.13158	1.1
200.04680	1.6
205.04854	2.0
205.07135	0.8
205.08548	4.8
205.12207	5.2
205.15897	1.1
213.07681	0.7
215.07045	26.5
215.10632	27.0
215.14272	2.7
215.17839	2.3
216.07297	1.0
216.11044	1.2
217.10637	3.0
233.08018	34.0
233.11693	28.1
233.15219	8.7
233.18805	4.6
234.08289	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.0805
Annotation	2-Hydroxy-7-methoxy-5-methyl-1-naphthoate
Peak:m/z	Relative Intensity
66.70058	0.4
69.03394	0.4
69.60539	3.0
70.06584	0.4
74.06038	1.8
79.05447	0.6
81.07011	0.5
86.09670	1.1
90.05494	1.3
91.05473	4.4
100.62234	0.4
103.05414	1.2
105.07016	0.6
107.04932	0.8
115.05441	3.5
116.06200	1.8
117.06307	0.5
117.06995	5.0
119.04878	1.1
119.08534	1.2
121.06458	1.1
127.02059	0.5
128.06209	10.2
129.06987	18.6
131.04887	2.9
131.08563	4.4
132.05676	0.6
132.10162	0.7
133.06389	1.0
134.07202	0.5
135.04379	0.6
135.08015	0.7
141.06953	1.3
142.05263	0.4
143.01595	1.6
144.05682	3.8
145.03114	0.6
145.06459	7.7
146.07240	0.7
147.04407	2.5
147.08031	6.0
149.06023	0.5
149.09601	0.6
155.04840	0.8
155.05988	1.6
156.05701	0.6
157.06436	3.7
157.07611	1.7
158.07195	0.6
159.04430	0.7
159.08034	16.2
160.05109	0.5
161.05949	4.9
162.06737	2.5
163.07523	1.0
171.04430	0.9
172.05165	9.3
173.05968	5.2
174.06729	0.9
175.03844	1.4
175.07532	2.6
176.08324	0.6
177.09091	2.4
185.05971	2.9
187.07516	43.1
188.07925	0.8
189.05396	1.8
190.06209	4.8
191.06976	1.1
193.08646	0.6
198.11195	0.5
200.04671	12.0
201.05397	1.6
203.06883	0.9
205.04910	1.3
205.08583	25.8
215.06996	78.8
216.07373	1.1
216.12457	0.4
218.05946	0.5
233.08055	100.0
234.08427	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.0804
Annotation	2-Hydroxy-7-methoxy-5-methyl-1-naphthoate
Peak:m/z	Relative Intensity
53.74482	0.1
55.01863	0.1
57.03422	0.1
63.02365	0.1
67.15605	0.1
67.64748	0.1
68.15308	0.1
70.53464	0.2
74.01535	0.1
77.03943	0.1
78.72940	0.1
80.43645	0.1
89.03900	0.1
91.05463	1.6
99.42123	0.1
102.04678	0.1
103.05443	0.6
105.07024	0.2
115.05400	1.7
116.06216	2.4
117.06995	0.3
119.04896	0.1
127.05402	0.3
128.06197	10.9
129.06978	17.1
131.04901	2.0
131.08534	3.4
135.07999	0.2
141.06981	0.7
143.04933	0.1
143.08493	0.1
144.05667	3.7
145.06447	2.3
145.07607	0.1
147.04408	0.2
147.08015	3.3
148.05168	0.2
155.04883	0.5
155.06015	1.1
155.07242	0.1
156.05676	0.9
157.06441	2.2
157.07608	1.6
158.03595	0.3
158.07324	0.1
159.04428	0.5
159.08020	13.8
161.05957	0.2
163.07521	0.5
169.06496	0.3
171.04340	1.3
171.07907	0.1
172.05157	9.8
173.05956	1.9
174.03210	0.1
175.07541	0.2
177.09137	0.1
184.05186	0.1
185.05927	1.7
186.06776	0.1
187.04111	1.2
187.07503	50.9
197.05878	0.1
199.03873	0.2
200.04646	14.4
205.04941	1.5
205.08546	2.0
215.06979	100.0
218.05576	0.4
233.08032	79.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.0803
Annotation	2-Hydroxy-7-methoxy-5-methyl-1-naphthoate
Peak:m/z	Relative Intensity
51.98092	0.2
52.52021	0.3
54.98082	0.3
57.03414	0.7
70.13056	0.3
71.01301	0.8
91.05474	2.3
103.05444	0.6
105.07008	0.5
115.05439	1.0
116.06207	1.2
117.06989	1.0
127.05382	0.4
128.06198	10.9
129.06985	17.9
131.04897	2.8
131.08533	3.9
135.08026	1.9
144.05649	2.1
145.06453	4.2
147.04390	0.5
147.08012	3.6
148.05150	1.3
149.09624	0.4
155.04817	0.4
155.06015	1.2
156.05626	1.0
157.06366	0.8
157.07599	2.2
159.08029	18.3
161.05986	2.0
162.06818	0.6
163.07510	4.5
171.04330	0.5
172.05142	3.3
173.05962	5.6
177.09109	0.8
187.07510	59.1
188.07922	0.8
190.06081	0.5
200.04659	4.7
205.04980	2.6
205.08559	16.8
215.06990	85.9
216.07373	1.0
233.08041	100.0
234.08311	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.0056
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	5.3
56.05013	13.0
57.03397	4.4
58.06594	3.9
61.02925	3.3
66.61035	3.4
69.03402	3.7
71.06332	8.8
72.08148	38.5
74.06075	85.9
78.95617	4.3
80.88535	2.7
82.15760	2.9
84.08121	7.9
85.02901	3.1
86.09293	2.5
86.09702	29.2
94.92979	8.6
101.00857	3.6
119.01888	7.2
132.10179	12.7
137.01912	2.8
143.01874	9.7
148.22798	2.9
149.63274	3.4
161.02953	14.0
168.95206	3.2
187.14374	11.4
190.13000	3.2
190.91228	3.7
215.13927	5.0
216.67705	2.8
232.92288	4.8
233.00583	8.1
233.04398	6.4
233.06268	100.0
233.14857	14.2
251.02388	2.9
254.93556	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	233.0421
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	3.3
56.05040	18.2
66.15720	2.6
70.19045	12.1
72.07800	2.8
72.08148	33.1
74.06075	92.5
78.95612	4.3
84.04485	3.7
84.08111	5.4
84.42433	2.9
86.09696	31.3
94.92986	9.7
96.92793	4.1
100.81917	2.9
101.07158	3.0
102.70460	3.0
118.38920	2.7
119.01872	7.7
126.73079	3.1
128.83023	2.9
132.10201	15.7
143.01801	3.7
144.54149	2.8
161.02911	9.5
175.04422	2.4
182.01682	2.6
187.14372	10.4
190.91022	4.4
215.13823	7.6
232.92201	4.4
233.00499	5.8
233.04301	5.9
233.06236	100.0
233.11244	3.6
233.14932	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	231.1699
Annotation	Val Ile
Peak:m/z	Relative Intensity
53.03918	0.4
55.05502	10.2
56.05023	0.4
57.03420	0.2
57.05810	0.6
69.03407	1.4
69.07078	0.2
69.85725	1.0
70.06584	0.5
72.08141	100.0
73.08470	0.3
74.96015	0.2
81.03409	0.7
81.07047	0.2
84.08133	0.7
85.02895	0.8
86.09689	4.8
87.00847	0.3
90.19941	0.2
91.05463	0.2
97.02872	0.2
99.04453	0.3
107.42673	0.2
109.02873	0.2
127.03912	0.8
129.10229	0.6
132.10178	4.6
147.04364	0.2
176.93999	0.2
185.16422	1.1
203.07106	0.2
231.02980	0.3
231.06723	0.3
231.17001	5.4
231.19164	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.0648
Annotation	Visnagin
Peak:m/z	Relative Intensity
54.51802	0.2
55.01844	0.6
70.53835	0.6
78.04686	0.8
85.62270	0.2
91.05464	2.4
102.98009	0.2
103.05442	1.0
104.06199	1.2
105.06988	0.5
115.05426	3.3
116.06219	0.5
117.06983	4.0
118.04185	0.2
119.08549	1.0
127.05397	0.5
128.06209	2.0
128.32365	0.2
129.06989	2.2
130.04140	0.5
131.04903	4.4
131.08505	0.2
132.05687	2.0
133.02811	0.2
133.06421	0.4
134.03569	0.2
135.08041	0.4
144.05669	0.6
145.02809	0.6
145.06465	6.3
146.03622	0.3
147.04395	0.4
147.08025	1.7
155.04880	2.4
155.06018	1.0
157.06462	0.4
158.66333	0.2
159.04373	3.9
159.07985	0.6
160.05168	10.1
161.02271	0.2
161.05943	2.5
163.07504	2.0
167.59561	0.2
170.03627	0.6
171.04364	0.7
172.05156	4.2
173.02310	8.3
173.05888	1.8
173.07088	0.2
174.03058	1.7
175.03828	0.3
175.07509	6.6
183.05544	1.0
183.48470	0.2
185.05956	9.5
185.13217	0.3
187.00369	0.3
187.03859	2.4
187.07503	1.0
188.04646	61.2
189.05106	1.0
191.03360	0.8
198.03127	0.4
203.06989	100.0
204.07339	1.7
205.01395	0.2
206.05763	1.6
213.05385	1.1
216.04138	10.3
231.06476	56.1
232.06790	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.0649
Annotation	Visnagin
Peak:m/z	Relative Intensity
50.50507	0.2
53.84816	0.2
64.90479	0.2
64.90810	0.2
70.68854	0.3
70.69196	0.3
71.05187	0.2
118.18114	0.2
126.10497	0.2
145.02777	1.2
156.01997	0.3
160.05162	0.5
173.02336	1.8
174.03101	4.6
175.07506	0.2
185.05908	0.4
187.03893	2.5
188.04659	0.5
198.03117	0.3
201.01793	1.7
203.06937	0.5
213.05383	0.6
215.03268	0.3
216.04146	100.0
217.04483	1.9
231.06487	89.5
232.06844	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.1334
Annotation	Unknow
Peak:m/z	Relative Intensity
54.92374	0.5
55.24499	0.5
56.96567	0.9
57.03424	0.9
69.03410	2.2
69.07055	10.7
70.06572	3.2
70.89662	1.6
71.04969	0.8
72.04501	4.8
72.08152	2.8
72.08485	0.5
73.02899	0.9
74.02426	21.5
77.94790	0.5
81.03391	0.9
82.02922	6.1
83.04981	0.6
83.18808	0.6
84.04517	1.3
84.08121	7.4
85.02880	1.9
85.08926	4.6
86.09689	100.0
87.10005	0.7
88.09562	0.5
94.06537	0.7
95.08609	0.7
96.08114	2.0
97.02856	2.1
98.97560	1.1
99.05553	3.4
100.03955	3.2
107.07313	0.7
107.08562	3.1
110.06053	0.8
110.97549	0.6
116.98602	0.5
117.06529	0.5
118.04987	5.6
122.09654	10.1
124.07558	3.2
127.03899	1.0
128.03416	0.5
129.06953	0.5
139.12270	3.9
140.10658	1.0
145.06097	1.8
146.04462	4.2
150.09099	9.6
161.01196	0.6
166.01968	0.6
167.11775	24.2
168.10143	1.1
173.02438	0.6
174.03091	1.9
179.03384	5.5
180.03741	0.5
185.12798	2.6
187.03839	0.8
190.02119	0.7
196.09666	4.0
199.02530	8.3
199.52740	1.1
201.01740	0.9
203.06931	1.5
208.03064	6.1
209.01176	0.8
213.12299	12.2
213.14198	1.1
214.10693	31.0
215.10933	0.5
216.04137	41.2
217.04451	2.0
231.06482	33.0
231.13335	16.0
231.15164	0.5
232.06778	1.0
253.00079	2.4
253.96954	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.0649
Annotation	Visnagin
Peak:m/z	Relative Intensity
50.70856	0.3
53.03922	0.6
55.01853	1.0
55.05486	0.8
57.03412	0.4
66.98918	0.3
67.05488	0.5
69.03064	0.4
69.03419	6.4
69.07048	1.1
69.91608	0.6
69.92027	0.9
70.07382	0.4
71.04972	1.2
72.72333	0.3
73.60467	0.3
77.03910	0.4
78.04691	0.9
79.05477	0.9
81.03407	3.6
81.07033	1.2
83.04961	0.3
85.02895	3.9
86.06039	0.6
86.09698	0.3
87.00821	1.5
91.05467	2.8
93.07021	0.8
95.08582	0.8
97.02871	1.3
97.06451	0.4
99.04434	2.0
103.05476	1.0
104.06226	1.4
105.01882	0.4
105.07015	1.9
107.04943	0.3
107.08555	0.7
109.02857	1.7
109.06520	0.4
109.10126	0.6
115.05437	2.5
116.06221	0.6
116.10693	0.9
117.07003	3.6
117.11053	1.0
119.08586	2.0
121.06466	0.6
121.10087	0.4
127.03915	2.7
128.06221	3.2
128.39505	0.3
129.06973	3.3
130.04102	0.5
131.04919	4.9
131.08527	1.0
132.05688	1.3
133.06485	0.4
133.10091	0.9
135.08043	0.5
135.11650	0.3
142.07736	1.1
143.04898	1.0
143.08548	1.4
144.05652	0.5
145.02818	0.7
145.06465	7.5
145.07620	0.4
145.10120	0.9
147.04362	0.7
147.08015	2.4
155.04892	1.9
155.06010	1.0
157.06424	0.5
157.10094	1.9
159.04396	4.3
159.07993	1.2
159.11647	0.9
160.05180	8.7
161.05989	3.0
163.07550	2.1
167.08519	0.4
170.03670	0.9
171.04373	0.9
171.08015	0.8
171.11678	1.2
172.05199	3.9
173.02328	7.1
173.05984	1.7
173.13257	0.7
174.03120	1.9
175.07518	7.1
183.05481	0.6
185.05962	8.3
185.09537	1.5
185.13214	0.4
187.03853	2.0
187.07521	0.8
188.04660	64.2
189.05399	3.7
189.12723	0.4
191.03407	1.1
195.13782	0.3
203.07001	100.0
204.07353	1.2
206.05702	2.1
213.09117	2.3
213.12601	0.4
213.16365	1.7
216.04117	4.8
231.06497	59.3
231.10193	2.8
231.13872	1.1
231.17490	3.9
232.06836	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.0496
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	16.3
53.91581	0.6
55.01863	2.3
55.05504	2.0
57.03428	4.5
57.07068	0.9
57.49399	0.6
59.50425	0.7
61.02916	2.8
61.50088	0.7
67.05504	1.3
68.99773	4.7
69.03420	100.0
69.07044	1.3
70.06584	1.9
71.01322	0.7
71.04985	15.5
71.62452	1.0
71.62840	0.8
72.08138	4.7
79.05496	1.3
81.03407	50.2
81.07069	1.3
83.01330	1.8
83.08588	0.9
84.08115	0.8
85.02894	59.3
86.09702	3.6
87.00818	32.5
87.04499	0.8
91.05450	1.6
93.07047	1.7
95.04986	1.1
97.02882	22.9
99.04442	32.3
105.01841	6.8
105.07060	1.8
107.08574	0.8
109.02865	28.9
111.57778	0.7
117.07052	1.0
119.08564	0.9
120.08142	0.9
121.10152	1.0
126.25529	0.8
127.03900	46.2
129.10236	1.2
130.17322	0.7
131.08572	1.3
133.10120	0.9
142.07803	0.9
143.08551	1.4
145.04955	3.4
146.10602	0.8
147.11665	1.3
148.12067	1.2
157.06493	1.7
159.11655	1.0
171.08015	0.8
183.13884	0.8
185.06090	0.8
188.04666	2.0
189.12784	0.9
190.13129	3.2
190.14690	0.7
203.07074	3.1
213.03888	5.2
213.09235	1.0
213.16766	1.0
231.04681	9.2
231.06921	2.0
231.10274	2.5
231.13771	2.7
231.15768	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	231.0347
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.6
55.01873	1.2
55.05507	2.6
56.05028	2.6
56.96559	8.6
57.03434	1.7
57.07069	0.8
58.06595	0.8
58.99857	2.4
60.04529	3.1
60.05653	0.6
61.02916	2.2
62.73387	0.5
63.31312	0.5
66.76965	0.5
67.05501	1.8
68.98281	0.7
69.03411	2.8
69.07056	2.1
70.06588	9.0
70.99863	0.7
71.04984	1.6
71.06905	0.7
71.61548	1.2
72.07785	1.1
72.08150	12.1
73.02905	2.2
73.06544	1.5
74.06077	2.0
77.00890	1.6
79.05473	1.4
81.03429	2.1
81.04550	1.9
81.07046	0.7
82.06573	0.9
82.99859	1.2
83.04988	0.9
83.06091	0.9
84.04499	5.6
84.08136	26.3
84.96024	1.4
85.01399	1.3
85.02898	4.0
85.04014	0.6
85.06539	1.2
85.08474	3.3
86.06065	1.3
86.09698	27.9
86.99320	1.2
87.04447	0.9
87.05595	0.6
87.10049	1.4
88.03959	3.3
89.00888	0.5
89.03909	3.3
91.02447	2.4
91.05472	1.1
95.04955	0.8
97.02882	2.4
97.06493	0.6
98.09689	0.6
98.97585	4.3
99.04449	0.8
100.99142	0.6
101.00860	11.6
101.01481	0.9
101.10781	1.3
102.05520	2.3
102.09194	0.6
102.84822	0.6
103.02435	12.7
103.03089	0.4
105.00361	1.7
105.02204	0.8
107.04943	1.8
109.02870	1.0
109.03511	1.5
110.97603	0.6
111.04448	1.4
112.07624	1.1
112.08737	1.0
112.11271	0.6
113.00840	0.6
115.02432	1.6
116.07082	2.0
116.98615	5.6
117.03337	2.2
117.04053	4.4
118.03568	1.0
119.01907	68.1
120.02004	1.3
121.01637	2.3
121.03483	9.4
124.02456	0.7
127.02422	1.4
127.03879	1.4
127.08707	0.7
128.07057	1.8
128.98607	2.1
129.00333	1.3
129.09334	1.0
129.10236	12.8
130.05008	1.5
130.08640	4.1
130.09561	0.8
130.10567	1.9
131.00157	0.7
131.01889	6.1
133.03459	9.9
134.99658	4.3
135.04361	3.6
135.05083	3.3
136.04770	0.7
136.06175	1.5
137.02942	23.9
137.05949	0.9
139.02667	0.8
141.10213	0.9
142.03476	1.7
142.08595	1.4
143.01865	2.3
143.11757	1.2
144.05038	0.8
145.03517	24.3
146.03473	1.9
146.99660	1.9
147.01379	14.0
147.03201	2.3
147.04958	1.2
147.11252	3.9
149.01157	1.3
149.02945	6.7
149.06624	0.9
151.04518	3.7
152.06985	0.7
153.00613	0.8
155.01840	1.3
157.03427	3.3
158.99759	0.8
159.01326	1.2
159.05028	3.1
160.04678	0.8
161.01306	1.6
161.02943	19.3
162.03084	0.7
162.99155	1.3
163.03938	28.6
164.04219	10.5
165.01006	1.0
165.02437	6.7
165.04356	1.3
167.04001	1.5
168.05075	1.1
169.03392	0.7
170.03343	1.0
170.08127	1.6
171.01349	16.0
171.02756	0.7
171.04953	1.2
172.04892	0.6
173.02988	4.1
173.09384	0.9
174.04440	0.6
175.04565	1.1
175.11946	0.6
177.00821	1.3
177.02365	1.5
177.06017	1.6
179.03957	5.8
180.03464	0.8
180.05060	0.9
183.03453	3.3
183.04887	0.9
185.02899	7.4
185.06580	1.3
185.13016	0.7
186.04370	0.8
186.06047	1.1
187.04503	4.9
187.10736	4.4
188.04530	2.3
188.92505	0.6
189.02428	100.0
189.06009	2.1
190.02509	1.4
190.98621	1.2
191.04010	3.5
196.06039	1.0
198.98581	0.7
199.02577	1.3
201.02409	1.3
203.03922	5.0
203.07639	2.4
205.05582	1.6
207.01828	1.1
207.03485	21.9
207.05128	0.8
208.04604	5.0
208.99620	2.1
212.04034	6.7
213.05956	1.0
213.12335	0.8
215.03986	2.2
216.04121	2.8
217.01944	1.2
217.03810	2.1
219.01703	0.8
219.03477	4.3
226.05565	1.0
230.05133	0.7
231.03465	28.0
231.06961	10.7
231.10350	1.4
231.13506	3.0
231.17163	0.9
233.05040	8.6
234.05237	10.4
235.04767	7.7
240.05331	0.7
240.13324	1.0
249.04521	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	230.9898
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19400	1.7
57.80056	1.7
62.29959	1.7
69.07048	2.8
69.83304	6.4
69.83714	2.8
70.06567	6.5
72.08144	4.5
84.04472	2.7
84.08129	4.5
84.91190	2.7
86.09695	39.8
88.03968	4.1
94.92992	14.2
108.28177	1.9
116.07079	7.9
119.01882	3.0
133.03436	3.8
159.05037	1.9
160.23282	2.0
174.03076	5.3
185.02913	4.4
187.03947	2.6
196.06096	4.9
199.01994	2.0
201.01782	3.3
203.07011	2.8
207.94273	2.1
216.04155	100.0
220.65028	1.9
230.88477	3.5
230.99039	3.5
231.04666	5.6
231.06552	73.0
231.09888	3.4
231.13478	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	230.9898
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44413	1.5
53.36954	1.4
64.83163	1.7
70.06578	3.8
70.41569	5.6
70.41926	2.6
86.09689	2.9
94.93008	16.3
116.07045	1.9
119.01880	1.7
121.01643	3.3
125.96474	1.6
126.50556	1.5
133.03488	2.4
146.76862	1.7
174.03113	3.2
187.03958	2.0
192.32751	1.8
208.04515	1.7
209.87303	1.6
214.06895	1.5
216.04149	100.0
230.88615	5.3
230.98973	6.3
231.04700	3.7
231.06519	67.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	230.8859
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23939	0.5
71.61065	1.2
74.41321	0.7
84.91173	1.0
90.19916	0.7
94.92998	100.0
112.89601	6.5
114.89317	2.3
115.91992	0.7
122.92485	0.9
148.94035	0.8
150.89594	0.9
184.88045	3.5
202.91997	0.7
230.88556	34.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	230.2113
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	4.9
55.01858	3.9
55.05502	69.7
56.96569	2.6
57.03419	5.1
57.07067	35.8
59.04992	2.5
64.26001	2.3
66.79037	2.5
67.05500	25.1
69.03414	15.9
69.07060	96.8
69.39502	19.1
69.39909	5.5
70.06580	10.2
71.04964	5.2
71.08624	18.5
72.08144	7.4
73.06559	6.9
74.91973	2.8
75.34013	2.5
79.05477	18.1
81.07046	46.0
82.07379	2.7
83.04955	9.2
83.08607	60.3
84.08136	3.3
85.02879	5.8
85.06535	10.6
85.10158	8.7
86.06058	21.5
86.09689	3.5
91.05492	2.9
93.07030	31.5
95.08596	55.3
97.02872	9.6
97.06522	25.7
97.10159	58.4
98.06040	10.2
99.04449	3.7
99.08081	7.8
100.07607	10.7
101.05989	3.7
105.03380	3.8
105.07001	4.1
107.08578	32.4
109.02851	5.0
109.10146	21.5
111.08083	13.3
111.11695	22.4
114.09145	8.2
115.07561	5.4
117.06923	3.0
121.10132	51.1
123.11691	6.3
125.09604	22.3
127.03886	5.0
128.06216	6.7
128.10652	4.5
129.06976	14.1
129.09077	6.6
133.02856	4.8
135.11696	30.8
137.13231	3.2
139.11140	16.5
141.06947	3.2
143.10655	3.8
147.04382	2.8
147.11652	2.8
149.13260	5.4
153.12729	4.9
153.16386	5.5
157.06487	6.4
157.12219	4.3
158.26108	2.8
160.97357	13.0
169.06477	5.5
170.19043	5.3
172.05151	5.8
175.07538	5.1
177.16374	100.0
185.05960	7.1
188.04756	5.2
189.01802	42.6
194.08138	8.7
195.17421	60.3
203.06989	9.6
212.09143	6.1
212.16621	3.7
212.20070	42.2
213.05434	35.2
213.12677	4.0
213.18486	12.3
216.04135	43.0
230.10110	6.4
230.16138	3.7
230.21127	29.7
230.24544	7.7
231.06488	49.2
231.10072	5.0
231.13846	7.8
231.17339	3.7
233.10124	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	230.0697
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	0.5
55.05503	0.5
56.96554	47.4
57.49069	0.4
61.02917	1.4
66.56650	0.5
70.06570	4.1
70.96172	1.1
71.06892	0.6
71.95254	3.5
72.08137	2.2
72.96030	3.3
73.02898	0.7
74.97594	1.1
79.64951	0.4
83.97628	1.2
84.04487	1.7
84.08133	7.2
84.96021	1.8
85.02886	1.1
86.09690	9.8
90.28472	0.5
97.02869	1.3
98.06050	0.7
98.97564	100.0
101.00858	1.1
102.00937	1.1
105.74419	0.5
110.97534	0.6
113.96397	0.6
116.00213	1.9
116.98596	88.6
119.01880	3.8
120.01971	4.1
121.01657	1.2
126.02278	1.9
128.03514	0.5
128.10649	0.9
128.98570	1.2
129.10242	2.4
130.08611	0.7
131.00146	0.6
133.03439	0.7
134.01201	3.3
134.99635	53.4
137.02969	0.8
138.03043	1.0
140.00197	2.2
140.03807	2.3
142.05376	1.6
142.08499	0.7
144.03302	1.2
145.03241	0.5
146.99623	1.4
152.02223	0.8
153.00691	8.6
158.01266	2.6
158.04869	5.1
159.11275	0.8
160.06439	7.7
161.02846	0.8
165.00725	0.5
169.02583	0.5
170.04839	2.1
171.03276	2.0
174.03047	0.6
176.04596	0.6
176.05931	2.0
177.00600	0.6
178.01137	0.5
178.07474	3.2
180.33456	0.6
188.00963	1.4
188.05884	5.5
189.00639	1.5
189.02571	1.0
189.04298	13.6
189.05992	0.7
198.00644	0.8
202.07500	1.6
203.05882	1.0
206.02135	0.9
206.06963	10.0
207.01727	1.5
207.05368	11.8
212.05901	1.3
216.00539	1.0
216.04161	4.7
217.79936	0.6
220.08597	0.9
224.08014	18.8
225.08400	1.2
230.04755	1.2
230.06952	19.9
230.09238	1.0
230.15706	4.1
231.05396	1.8
231.06502	3.3
248.08017	47.5
248.99040	0.8
249.06384	1.7
249.08592	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1947
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49400	0.8
53.03925	1.6
55.05499	4.9
57.03420	0.9
57.07064	8.7
63.95444	0.8
64.85938	0.9
65.03928	1.1
67.05492	29.3
69.03403	0.9
69.07058	5.7
69.07381	1.2
70.33325	1.6
70.33723	1.9
71.08603	2.0
72.93764	2.1
73.11784	0.7
78.04118	0.9
79.05043	1.6
79.05476	17.3
81.07037	10.3
83.08595	1.8
86.06058	1.9
87.04453	1.3
90.94804	1.5
91.05462	51.9
93.07025	15.5
95.04950	2.6
95.08598	5.5
97.02879	1.4
98.06046	2.9
99.00794	1.2
103.05428	2.4
105.07014	15.4
107.08571	4.2
109.10125	6.7
113.96396	2.3
115.05441	6.7
116.06236	4.7
116.06918	0.9
116.96363	1.4
117.06995	80.0
119.08551	4.4
121.10069	1.9
123.11679	1.4
129.06972	9.6
130.07770	4.0
131.08545	100.0
131.97383	1.6
133.10123	4.2
134.97372	2.4
135.11671	1.5
137.13292	1.0
143.08513	3.0
144.09335	1.2
145.10094	39.8
147.11658	3.6
149.13243	2.7
157.10059	1.0
159.11671	16.7
163.14786	1.9
164.98431	8.7
168.09624	0.8
173.09570	1.0
173.11823	1.5
173.13223	5.1
176.23323	0.9
182.07988	1.1
183.11684	1.7
187.14780	2.8
188.00063	6.1
190.62604	0.9
194.08105	2.3
201.16351	3.5
205.98622	1.0
212.09129	2.0
229.12186	1.8
229.19481	66.0
229.23463	4.5
230.10213	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1586
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	4.8
56.05835	0.6
57.03433	8.8
57.07055	2.1
57.69672	0.6
59.05006	0.8
67.05500	8.1
68.05833	1.8
69.07050	2.6
70.06569	1.2
70.10149	3.0
71.04977	1.3
72.08146	0.8
79.05493	3.8
81.07051	6.2
83.04967	2.4
83.08608	2.0
84.08111	0.7
84.08935	1.5
85.06529	1.7
86.06060	1.3
91.05479	7.7
93.07015	2.8
95.04951	1.0
95.08598	6.0
96.08926	2.8
97.02893	0.8
97.10185	1.4
98.06042	0.9
98.21423	0.6
99.00793	1.3
99.08066	0.7
103.05416	0.8
105.07020	4.3
107.08588	1.7
108.08889	0.7
109.10139	5.6
110.10480	1.6
111.08074	0.8
115.05441	1.8
115.96426	1.4
116.06222	1.2
117.01845	0.7
117.07005	14.1
119.08549	4.9
121.10132	1.0
121.34464	0.6
123.08089	0.9
123.11713	1.1
128.06209	3.0
129.06990	35.5
130.07724	2.0
130.75104	0.7
131.08557	15.6
133.06497	0.8
133.10109	2.7
133.97458	1.1
135.08043	1.1
135.11697	1.0
141.06979	10.0
142.07768	4.7
143.08563	8.3
144.09406	0.7
145.06487	1.4
145.10109	35.2
147.07959	0.8
147.11711	1.7
149.55080	0.7
153.06970	1.0
154.07825	1.7
155.08536	8.9
156.09323	1.3
157.10115	50.6
158.10498	0.9
159.08035	7.5
159.11678	12.2
161.09618	1.8
167.08539	1.9
167.14258	1.0
168.09372	2.1
169.10114	17.3
169.12317	1.2
171.11720	4.7
173.09613	5.1
173.13228	10.1
175.14922	0.8
176.15128	2.9
176.47951	0.8
181.10048	0.7
182.10870	2.9
183.11673	11.5
185.09708	0.7
185.13246	24.4
185.20795	1.2
187.11154	4.6
187.14810	2.0
194.08121	1.1
194.16202	1.9
201.05490	0.8
201.12708	2.0
201.16414	5.7
205.98712	1.2
211.11632	1.0
211.14804	27.0
211.16708	1.2
212.06453	0.8
212.17148	0.7
229.12207	2.7
229.15855	100.0
229.19666	2.7
229.23532	2.5
230.16203	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1544
Annotation	H-Pro-Leu-OH
Peak:m/z	Relative Intensity
51.38112	0.3
55.01848	1.1
55.05495	0.6
56.05017	0.6
56.96552	13.2
57.03421	2.3
57.07064	0.4
58.06583	4.3
58.99846	0.4
59.07365	0.9
60.04496	0.4
60.07870	0.5
60.08154	6.2
61.02918	2.7
67.05472	0.4
67.54424	0.2
68.05008	0.8
69.03411	2.2
69.07053	0.4
70.06578	31.5
70.98096	0.8
71.00239	0.7
71.05000	0.4
71.95236	0.7
72.08135	2.5
72.96017	0.3
73.02905	2.7
74.06075	0.3
74.97610	0.3
76.50029	0.3
77.00844	0.5
81.03386	0.7
81.07052	0.3
82.06562	0.3
83.00721	0.4
83.04960	0.3
83.97594	0.3
84.04479	1.4
84.08126	7.9
84.32610	0.3
84.96015	0.7
85.02888	3.8
86.06052	0.8
86.09688	4.0
88.99141	0.7
89.00758	0.6
89.03892	0.3
91.05445	0.5
92.01299	0.4
95.04928	0.3
96.08095	1.2
97.02884	2.2
98.01315	0.3
98.06033	0.8
98.74611	0.3
98.97562	18.8
99.00792	0.5
99.04449	0.7
101.00861	3.0
101.02470	0.4
102.97001	0.3
103.02419	0.5
104.01233	0.5
106.01029	0.4
109.02876	0.4
109.24989	0.3
110.01260	0.7
110.02337	0.3
110.07173	0.3
110.97542	1.1
112.99080	0.4
113.00854	0.3
113.96341	0.3
114.05504	3.4
114.09129	1.3
115.02416	0.3
116.00170	0.3
116.07068	2.9
116.98599	16.0
117.01856	0.4
117.03331	0.5
118.00979	0.6
118.03474	0.3
118.08652	0.4
119.01885	13.8
120.01982	0.6
121.01620	0.5
124.00939	0.4
124.07592	3.0
126.02393	0.8
126.09111	0.5
127.01485	0.4
127.03884	1.2
128.02298	3.0
128.52423	0.4
128.98598	1.5
129.10188	1.1
131.00162	0.7
131.01862	1.7
131.97404	0.3
132.00667	0.7
132.10216	0.4
132.50908	0.3
133.01591	0.7
133.03439	1.9
134.01224	0.7
134.99635	10.8
135.04356	0.7
137.01927	0.5
137.02934	4.3
138.00706	0.4
139.01512	0.6
140.00174	0.5
140.02264	0.3
140.03838	0.6
141.01256	0.3
142.03484	0.6
142.08607	27.7
143.01891	0.3
143.08884	0.4
144.03313	0.3
144.99773	1.0
145.03391	1.1
145.04845	0.5
146.02301	0.3
146.99600	1.9
147.01280	1.2
148.02008	0.5
148.03723	0.4
148.04721	0.5
148.05678	0.3
149.02916	0.8
151.04510	0.6
152.02269	0.3
152.07074	1.4
153.00677	2.1
153.49631	0.3
155.02831	0.6
156.01796	0.3
157.02435	1.3
157.03609	0.4
158.01201	0.6
158.04858	1.4
158.99614	0.7
159.01308	0.6
160.02017	0.7
160.06400	2.1
161.01387	0.3
161.02925	1.0
161.06544	0.3
162.01778	0.7
163.03856	3.3
165.00633	0.7
168.01772	0.9
168.09286	0.4
168.51938	0.5
168.99741	1.4
169.02510	1.7
170.04994	0.8
170.08113	1.5
172.95279	0.3
172.97525	0.4
173.02977	0.3
174.01764	0.4
174.99146	0.7
175.02551	0.8
175.04482	2.1
176.03328	0.5
176.05931	0.7
177.00665	0.9
177.02371	1.4
177.52473	1.0
178.02994	0.9
178.07539	0.7
179.02243	0.3
181.02386	0.4
183.02269	1.6
183.11406	0.6
183.14856	0.6
184.03062	2.2
184.04546	0.9
184.53198	0.4
185.06599	0.3
186.02823	0.4
186.96777	0.5
186.99249	0.5
187.00842	2.8
187.02507	0.5
187.04541	1.2
188.05865	1.5
189.00629	1.1
189.04337	3.2
190.03040	1.2
190.98654	0.7
191.02121	0.3
192.02812	1.2
193.00224	0.7
193.03622	0.9
196.99295	0.5
198.02757	0.6
199.03607	1.2
201.02338	0.4
202.05653	0.5
202.07498	0.4
203.04036	0.4
204.02910	0.5
205.00087	0.7
205.01912	0.8
205.03703	0.3
205.98761	0.7
206.06992	4.1
207.01648	0.7
207.05354	1.6
211.10863	0.6
213.03296	0.6
215.00301	3.0
215.03914	0.7
217.00076	0.4
219.01613	0.4
219.53564	0.5
220.04066	1.6
221.04953	0.4
223.01183	0.4
224.08005	7.2
229.03210	1.0
229.05064	0.8
229.15428	100.0
230.06914	3.1
230.15755	1.9
231.05354	0.6
233.04964	2.3
237.02815	0.6
247.01201	0.5
247.09454	0.6
248.08037	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	229.1431
Annotation	Ieodomycin C
Peak:m/z	Relative Intensity
51.13661	0.5
53.03938	1.1
54.16048	0.4
55.01870	7.1
55.05497	4.8
57.03424	1.6
57.07055	1.9
59.04998	0.8
67.05496	12.4
69.03415	1.6
69.07059	61.3
70.06569	1.8
70.22297	1.9
71.04985	8.8
72.08147	0.9
73.06554	7.7
79.05472	4.5
81.03402	0.7
81.07050	28.8
83.04962	3.7
83.08605	1.9
84.08109	0.8
85.06525	5.5
86.09690	0.7
91.05473	5.4
93.07037	20.8
95.04958	11.5
95.08600	14.6
97.06521	21.2
97.10137	0.7
99.00794	0.9
99.04452	5.1
99.08100	0.7
100.88684	0.5
101.06035	0.6
105.07021	11.1
107.08582	9.6
109.06524	4.3
109.10147	6.0
111.08069	46.0
113.05965	2.9
115.07552	2.6
117.06986	0.8
119.08570	5.3
121.06518	0.8
121.10086	3.0
123.04403	1.0
123.08028	2.5
123.11700	23.6
125.05962	0.7
125.09600	0.8
127.07565	0.7
129.06996	0.9
131.08540	1.3
133.10107	9.7
135.08031	2.1
137.05954	0.7
139.07510	1.5
141.05472	1.4
141.06947	0.8
142.07866	0.5
143.06979	1.6
143.08504	1.1
145.10104	1.5
147.11670	12.2
149.13219	1.0
151.07564	1.4
151.09943	0.9
151.11162	17.2
155.08519	0.9
157.10069	1.0
159.11702	0.7
165.12750	7.2
168.09406	0.6
169.08849	2.9
169.12219	100.0
170.12576	1.7
173.09605	0.5
173.11748	1.1
175.11148	5.6
183.11678	2.2
183.13678	0.7
187.11057	0.8
193.12225	11.6
211.13260	37.1
218.38197	0.5
229.08543	1.1
229.12199	1.3
229.14119	8.3
229.16188	0.9
229.19458	0.6
229.23517	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.143
Annotation	Traumatic acid
Peak:m/z	Relative Intensity
50.23698	0.4
50.61868	0.5
52.96328	0.5
55.05493	3.9
56.96537	0.5
57.03421	1.1
57.07057	1.2
59.04996	0.9
67.05491	13.0
68.01796	0.5
69.03417	2.1
69.07055	10.2
70.03663	2.6
70.06570	1.5
71.04980	3.8
75.04479	0.5
79.05479	2.0
81.07041	6.4
81.73891	0.4
83.04984	2.7
83.08608	2.1
83.79660	0.4
84.08129	1.0
85.02928	0.6
85.06523	1.8
86.06057	1.2
86.09670	0.6
87.04469	1.0
91.05475	2.7
93.07009	3.3
95.04955	8.3
95.08587	7.2
97.02872	0.5
97.06552	0.8
98.06011	2.2
99.00811	1.8
99.04436	0.6
101.06047	0.8
105.07011	3.0
107.04965	0.5
107.08567	3.3
109.02857	0.9
109.06501	1.4
109.10137	100.0
110.10455	1.0
111.08071	1.0
115.90540	0.4
115.96410	1.1
117.07016	1.1
119.08565	6.2
121.06530	2.2
121.10175	0.7
123.08052	0.4
123.11679	13.4
125.09571	0.7
127.11169	38.8
128.06184	1.4
129.06975	1.9
131.08533	2.1
133.10109	5.3
133.97478	1.1
135.11658	1.3
137.09593	9.2
139.07552	1.1
141.06905	0.7
142.07736	0.6
143.08508	2.3
145.06432	0.9
145.10065	2.3
146.20833	0.5
147.11653	0.7
149.13057	0.6
151.11157	3.6
153.12726	0.8
154.07735	0.9
155.08513	1.3
155.10661	4.1
157.10103	3.3
158.10986	0.6
159.08032	2.2
159.11667	0.7
161.09573	6.0
167.14340	1.4
168.09358	1.0
169.10078	1.1
169.12201	3.0
171.07957	0.6
171.11694	0.6
173.09563	1.0
173.11722	15.0
173.13144	0.5
179.08365	0.6
179.08998	0.9
179.10638	13.7
179.12163	0.9
183.11644	2.8
183.13826	0.6
185.13292	1.0
187.07492	0.7
187.11174	1.0
193.12216	0.8
193.15855	1.3
194.08107	0.9
197.09810	0.8
197.11688	13.5
199.07446	0.8
201.12685	1.7
205.98674	1.0
211.11287	0.9
211.13045	2.6
211.14842	1.2
211.16739	3.6
212.09077	0.6
214.09821	0.9
229.04935	0.8
229.08566	2.0
229.12225	13.2
229.13930	0.8
229.15953	5.4
229.19670	1.1
229.23526	1.2
230.10316	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.143
Annotation	Ieodomycin C
Peak:m/z	Relative Intensity
53.03930	1.5
55.05487	4.9
57.06484	1.1
57.07059	1.9
62.67751	1.0
67.05491	19.5
68.05041	1.0
69.03416	1.2
69.07062	6.4
70.06564	2.7
70.73460	3.4
71.04978	8.6
71.08567	1.2
72.08163	1.2
73.02897	1.0
79.05482	29.5
81.07044	26.6
83.04976	2.8
84.08118	2.5
85.06529	24.5
86.09689	2.8
91.05467	29.6
93.07037	16.6
95.04955	2.2
95.08570	2.9
97.06504	2.5
99.89403	1.0
105.07018	27.4
107.08577	22.9
109.06487	3.2
109.10201	2.0
111.08030	1.2
113.05985	1.4
115.05440	1.1
118.33062	1.0
119.08559	24.1
121.10139	7.2
123.04388	2.3
125.05991	1.9
129.07016	2.7
129.10207	1.5
131.08551	5.1
133.06479	1.2
137.05965	3.5
139.07431	1.4
145.10120	2.3
147.11667	100.0
148.11998	2.0
149.13240	12.9
151.07526	2.7
155.07034	1.3
157.10136	3.9
165.12735	10.3
167.10645	1.5
168.23975	1.1
169.08459	1.1
175.11150	20.9
183.11545	1.2
183.82523	1.0
193.12216	68.3
194.12581	1.4
210.29344	1.1
211.13260	97.6
229.12317	1.5
229.14325	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	229.143
Annotation	Ieodomycin C
Peak:m/z	Relative Intensity
54.31059	1.5
55.01867	6.6
55.05496	8.7
56.96558	2.3
57.03416	4.6
57.07065	5.1
67.05492	28.9
68.92294	1.6
69.03411	2.5
69.07055	13.4
69.88705	3.9
69.89116	8.1
70.06573	4.7
71.04973	6.5
72.08139	2.2
76.86523	1.6
79.05487	12.5
81.07042	42.1
83.04948	6.4
83.08614	7.0
84.08156	2.9
85.02881	2.8
85.06554	3.7
86.06054	3.7
87.04473	2.9
91.05470	24.3
93.07015	12.5
95.04950	5.8
95.08595	13.2
97.02863	4.0
97.06484	9.8
98.06033	5.4
99.00812	7.1
99.08111	3.8
102.59189	1.5
103.05432	2.1
105.07024	29.6
107.04950	2.3
107.08570	10.5
109.06494	8.4
109.10129	16.8
113.06008	1.7
115.05423	3.0
115.96423	3.1
117.07008	6.5
119.08568	34.1
119.09353	3.3
121.10126	17.2
123.08094	3.5
123.11694	21.4
127.11192	2.1
128.06245	4.0
129.06969	13.8
131.08533	9.5
133.10118	10.1
133.97432	4.8
141.07028	1.8
142.07739	5.9
143.08563	8.1
145.06494	2.5
145.10086	13.0
147.08075	2.6
147.11664	84.8
149.09631	3.1
153.07022	2.9
155.08545	8.3
156.09175	2.3
157.06497	2.2
157.10107	26.9
158.07205	1.7
159.08025	6.1
159.11717	4.5
161.09576	1.9
165.12727	38.8
168.09309	8.7
169.05141	1.8
169.10057	4.7
173.06035	1.6
173.09645	2.3
173.11812	3.0
173.13225	4.3
175.11156	24.3
181.10114	2.5
183.11659	22.0
183.13298	2.3
185.13199	3.7
187.07562	3.0
187.11320	3.6
193.10574	1.7
193.12125	8.2
194.08141	3.3
201.12755	4.9
201.16499	2.4
205.98764	4.2
211.11154	6.9
211.13191	4.6
211.14917	3.9
212.09254	2.6
229.08707	3.7
229.12181	31.9
229.14336	100.0
229.23482	8.2
230.10031	3.7
230.14590	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	229.0315
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66732	1.1
53.99267	1.2
57.03419	1.4
58.06573	3.6
60.08137	4.6
70.06583	19.1
71.61089	1.7
72.08129	3.5
84.04491	2.1
84.08117	2.4
85.02856	2.4
86.96219	1.5
97.02855	1.7
101.00883	2.8
109.96727	1.3
114.05499	2.1
114.09167	2.2
118.08604	1.2
119.01907	7.6
124.07582	1.8
127.00006	1.7
137.02997	1.5
142.08624	20.4
163.10306	1.3
175.04489	3.9
183.93843	1.3
184.04543	2.1
187.00842	2.2
207.29601	1.2
215.00276	2.3
228.86549	2.0
229.03154	100.0
229.06792	3.6
229.15431	80.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.122
Annotation	Bisphenol A
Peak:m/z	Relative Intensity
51.67447	0.4
53.03938	4.0
55.01847	1.1
55.05501	3.8
57.03423	1.4
57.07045	1.2
57.53313	0.5
59.04972	0.7
63.56926	0.6
65.03921	0.7
66.78378	0.5
67.05490	7.7
69.03071	1.0
69.03417	15.4
69.07047	1.9
70.06573	1.6
71.04964	1.1
71.62892	0.7
71.63261	0.5
72.08117	0.6
79.05496	3.0
81.03387	2.7
81.07041	4.6
81.61743	0.5
83.04959	4.4
83.08603	2.7
84.08134	1.0
85.02865	0.6
85.06522	1.1
86.09703	0.6
90.89929	0.5
91.05458	6.6
93.03368	0.9
93.07021	6.6
95.04938	2.6
95.08580	3.2
97.02899	0.8
97.06503	1.5
97.10107	0.5
98.06024	0.7
99.00809	1.2
103.05395	0.8
105.07011	6.9
107.04974	0.7
107.08564	2.1
109.02860	17.5
109.06470	1.9
109.10136	6.6
110.07144	0.7
111.08032	1.5
115.05434	1.2
115.96493	0.6
116.06239	0.6
117.01875	0.5
117.06989	2.9
119.04906	0.6
119.08552	7.8
121.06505	6.2
121.10121	2.2
123.08024	0.8
123.11690	1.5
127.11190	0.5
128.06194	2.5
129.06987	4.0
130.07758	0.8
131.08542	10.8
133.10114	9.0
133.97385	1.0
135.08008	1.6
135.11681	0.8
141.06961	1.9
142.07739	2.7
143.08539	10.1
143.09641	0.7
144.05653	0.6
144.09325	4.2
145.06464	2.9
145.09039	0.7
145.10106	9.1
147.07959	0.8
147.11649	2.3
151.03864	0.8
151.11160	0.6
153.06961	2.0
155.08539	5.3
155.09717	0.8
156.09285	0.7
157.06485	0.8
157.10120	3.7
158.07201	1.2
158.10890	13.1
159.04231	0.7
159.08037	6.7
159.11673	11.1
160.08810	0.6
160.97322	1.1
161.09561	1.0
165.06877	0.5
165.12665	1.0
167.08569	0.9
167.14302	0.8
168.09308	4.5
169.10100	2.2
169.12178	0.9
170.10847	5.3
171.08022	5.8
171.11662	1.4
172.08777	7.1
173.06023	0.9
173.09605	28.4
173.11894	1.8
173.13220	36.5
175.07526	2.0
175.11160	0.6
178.07784	0.7
181.06438	1.4
181.10097	0.7
183.11650	8.9
185.09656	1.3
185.13229	2.3
186.10379	17.9
187.07611	3.2
187.11147	47.9
189.09035	0.7
193.10098	1.1
193.12212	1.9
196.08801	3.6
199.07571	1.8
201.12712	53.1
205.98657	0.8
211.11200	11.7
211.13240	1.9
211.15067	0.7
211.16922	1.8
214.09810	3.4
229.08530	2.6
229.12202	100.0
229.15532	4.3
229.19588	2.7
229.23468	2.5
230.12465	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	228.2318
Annotation	Halaminol C
Peak:m/z	Relative Intensity
53.03921	1.0
55.05500	32.8
56.04822	0.4
56.05022	4.6
57.07065	6.8
57.39913	0.4
58.06563	0.9
60.04497	1.4
62.06076	17.5
67.05493	13.0
69.07053	33.3
69.85278	0.5
70.06565	1.3
70.07404	0.5
71.04953	2.2
71.06271	1.1
71.08604	2.1
73.91577	0.4
74.05660	0.5
74.06065	9.2
77.73051	0.5
79.05456	1.9
81.07037	11.8
83.08601	27.6
84.08117	1.5
85.06500	1.3
85.10140	2.0
86.00720	0.4
88.07614	0.5
91.05435	1.2
93.07006	2.0
95.04929	0.5
95.08589	22.6
96.08934	0.5
97.06483	0.9
97.10152	18.0
98.09699	0.4
99.08064	0.6
105.06996	1.2
107.08553	2.2
109.10136	11.1
111.08038	1.7
111.11706	4.9
115.96338	0.6
119.08530	2.5
121.10098	1.1
123.08017	0.6
123.11658	1.2
129.09106	0.9
133.10078	2.0
135.11641	1.2
137.09618	0.8
145.09978	0.5
147.11659	1.7
149.13283	0.5
151.11176	0.7
151.14780	1.4
175.14812	10.0
183.11601	0.5
184.20566	100.0
185.20898	1.5
193.15831	4.5
210.22112	0.9
211.16920	1.9
228.19478	3.1
228.23180	100.0
229.12141	0.6
229.15854	1.2
229.17900	0.7
229.23514	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1792
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	3.3
55.01862	1.4
55.05504	16.5
57.07053	3.9
65.03933	3.2
67.05500	11.7
69.07059	9.8
69.62202	7.0
71.04955	1.8
71.08634	1.6
72.93769	2.6
79.05484	20.5
79.05938	1.0
81.07045	9.3
83.08616	5.2
91.05467	42.7
92.06259	1.1
93.07029	12.9
95.04967	6.4
95.08619	5.0
97.06496	1.7
97.10162	2.1
100.11235	7.4
103.05448	3.9
105.04502	1.2
105.07021	16.7
107.08590	7.5
109.06484	1.0
109.10138	4.1
111.08052	1.3
113.96412	2.5
115.05436	18.8
116.06266	5.2
117.07000	16.5
119.08561	10.6
121.10139	3.5
125.09558	1.4
127.05417	1.2
128.06207	72.1
129.06990	84.4
130.07779	2.2
131.08556	10.6
131.97395	3.4
133.10112	6.5
135.11685	3.8
141.06964	26.0
142.07761	41.1
143.08542	59.3
144.09276	2.7
145.06483	6.1
145.10118	7.0
147.11646	4.5
153.06953	2.4
154.07669	2.4
154.99115	1.2
155.06001	3.9
155.08537	18.6
156.09354	9.4
157.10112	34.7
159.11656	5.0
161.13318	1.2
167.08542	1.4
168.09262	1.1
169.10088	14.9
170.10870	5.2
171.11673	19.6
173.13177	1.5
174.53534	0.9
181.87430	0.9
183.11673	7.8
184.12439	5.1
185.13235	17.3
186.00452	0.9
191.14380	1.0
194.11014	1.0
197.13191	1.2
198.14021	4.0
199.14761	4.7
209.11650	3.0
227.14270	4.5
227.17915	100.0
228.18274	2.4
228.23360	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1637
Annotation	Annuionone G
Peak:m/z	Relative Intensity
53.03915	0.3
55.01862	7.5
55.05499	2.5
57.03415	0.8
57.07067	1.9
59.04975	0.3
60.79460	0.2
65.03902	0.3
67.05494	4.7
69.03418	2.2
69.07059	6.5
69.50996	1.5
69.51421	0.8
71.04976	2.4
79.05478	5.6
81.07047	6.1
83.04975	1.8
83.08598	0.9
85.06529	5.0
91.05463	2.6
93.06454	0.6
93.07027	8.6
95.04955	4.1
95.08592	8.2
96.78941	0.3
97.06516	100.0
98.06864	0.7
99.04436	3.5
99.08067	0.8
100.11243	1.6
105.07016	5.9
107.04951	0.8
107.08576	19.2
108.23596	0.3
109.06503	8.4
109.10136	4.0
111.04398	0.4
111.08078	2.8
113.06009	1.6
115.07546	0.5
117.07015	0.8
119.08565	2.9
121.06487	2.3
121.10125	7.9
123.08044	5.0
123.11689	1.5
125.06002	0.5
125.09625	1.1
127.07550	0.5
130.07762	0.3
131.08553	1.9
133.10107	5.3
135.08032	2.5
135.11667	3.0
137.09579	1.1
139.07507	0.3
139.11136	1.8
143.08543	0.6
145.10097	3.6
147.11664	1.8
149.05850	0.3
149.09610	2.8
149.13223	4.1
151.07515	2.9
151.11142	3.3
153.05475	1.1
153.09052	1.2
153.12785	0.4
157.08537	0.5
158.10884	0.3
161.13225	1.0
163.11145	7.9
163.14796	1.8
163.64409	0.4
165.12704	0.6
167.07043	0.6
167.10649	3.4
169.08575	26.4
169.12178	3.0
171.10165	0.3
173.09567	0.5
173.13205	3.5
179.14252	0.5
181.12196	3.4
185.11697	0.5
191.10620	3.4
191.14284	4.0
196.17210	0.3
209.11713	2.8
209.15250	3.4
213.17690	0.6
223.40678	0.3
227.12704	3.0
227.16185	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	227.1637
Annotation	MKN-003C
Peak:m/z	Relative Intensity
50.78511	0.4
53.03944	1.2
55.01857	1.0
55.05503	3.8
56.02657	1.1
56.05058	0.4
56.96548	0.5
57.03427	0.5
57.07065	2.2
58.24617	0.3
58.95608	0.4
61.11353	0.4
65.03935	0.5
67.05493	18.6
69.07057	3.5
70.06578	0.5
70.10617	1.6
71.04981	100.0
71.08610	1.2
72.05297	0.7
72.93772	1.8
75.65350	0.4
79.05475	7.6
81.07043	27.8
83.04971	1.4
83.08598	2.8
85.02868	0.5
85.06524	2.5
87.40369	0.5
91.05472	4.1
93.07025	14.6
93.07613	0.8
95.04974	1.6
95.08591	13.3
97.06506	3.6
97.10159	1.6
99.04487	0.5
99.08099	1.2
100.11243	4.1
101.06054	0.5
105.07023	2.7
107.04948	1.0
107.08569	6.2
109.06513	1.6
109.10141	2.0
111.08074	1.8
113.05998	1.1
113.96386	1.8
117.06997	2.9
117.91191	0.4
119.08591	1.1
121.06497	0.8
121.10151	3.1
123.08058	0.5
123.11699	0.7
125.09603	0.9
127.07555	0.8
131.08560	3.4
131.97414	3.6
133.10109	5.1
135.08084	1.3
135.11670	9.6
140.04704	0.9
149.09669	0.5
149.13232	6.8
149.14336	0.5
153.09033	0.9
154.98991	0.9
155.07024	0.8
159.11665	8.0
161.13206	0.5
167.06992	0.8
171.10237	0.5
171.11705	0.5
177.12714	3.9
181.04932	0.9
181.08597	0.5
184.20586	5.5
186.22156	2.5
195.13782	2.6
209.15149	2.6
227.10245	0.5
227.12576	0.8
227.16206	0.9
227.17899	1.1
228.23148	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1637
Annotation	Annuionone G
Peak:m/z	Relative Intensity
55.01612	0.4
55.01860	4.4
55.05503	1.5
57.03416	0.3
57.07056	0.8
65.03934	0.2
67.05489	3.0
69.03423	1.4
69.07056	4.6
69.49505	1.7
71.04993	1.1
79.05484	3.8
81.03417	0.3
81.07046	3.6
83.04953	0.7
83.08597	0.7
84.25073	0.2
85.06525	2.9
87.76463	0.2
88.33138	0.2
91.05454	1.7
93.07032	4.9
95.04948	0.7
95.08595	5.5
97.06516	100.0
98.06852	0.9
99.04442	0.9
99.08096	0.4
100.11240	0.6
105.07021	3.2
107.04951	0.3
107.08575	11.3
109.06499	7.6
109.10140	3.5
111.08051	2.4
113.06004	0.8
119.02006	0.2
119.08572	1.9
121.06494	1.7
121.10119	4.1
123.08061	3.5
123.11674	0.7
125.05947	0.3
125.09595	0.4
131.08521	1.8
133.06508	0.4
133.10115	3.5
135.08017	1.0
135.11682	1.2
136.63629	0.2
137.09608	0.8
139.07527	0.2
139.11176	1.3
143.01968	0.2
145.10120	1.5
147.11641	1.2
149.09616	1.7
149.13246	4.1
151.07529	1.8
151.11160	3.0
157.08574	0.2
158.10922	0.2
161.13246	0.6
162.60573	0.2
163.11176	2.4
163.14790	1.7
167.10686	2.0
169.08575	17.4
169.12204	3.0
170.08955	0.3
173.09717	0.2
173.13261	2.0
179.14360	0.4
181.12244	0.9
185.11743	0.4
191.10651	0.8
191.14275	3.5
209.11729	0.7
209.15305	1.9
213.36578	0.2
227.12752	1.2
227.16486	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1639
Annotation	Annuionone G
Peak:m/z	Relative Intensity
55.01863	2.4
55.05501	14.6
57.03415	3.4
57.07056	4.9
58.71485	1.4
59.04978	1.6
65.03925	1.4
67.05491	18.8
69.03422	14.7
69.07054	16.9
69.79715	9.2
71.04984	12.3
79.05470	14.9
81.07046	37.8
83.04964	9.5
83.08604	6.2
85.06535	12.6
86.09715	1.6
91.05454	14.4
93.07030	42.0
95.04951	20.6
95.08593	31.0
95.09071	0.8
95.78725	1.2
97.06516	19.6
97.10112	1.4
99.04448	4.6
99.08081	12.7
100.11230	5.0
105.07011	25.4
107.08577	100.0
109.06496	19.4
109.10133	31.8
111.08075	6.2
112.17461	1.3
113.05196	1.4
115.05459	1.9
117.07032	2.4
119.08561	25.6
120.38605	1.3
121.06493	12.6
121.10120	57.2
123.08044	19.5
123.11700	7.5
125.09583	7.1
127.07512	3.2
129.06953	1.4
131.08545	17.4
133.10109	46.9
135.08026	15.0
135.11642	10.3
137.09595	17.7
137.13271	2.5
139.07603	1.6
139.11168	12.6
139.25471	1.1
143.08659	1.5
143.10635	2.1
145.10121	9.3
147.11667	14.8
149.09581	20.7
149.13228	41.0
151.11151	25.0
153.09085	8.4
158.10852	2.1
161.13228	7.2
163.11162	3.9
163.14786	22.7
165.12672	1.9
167.07027	1.5
167.10629	4.3
167.14241	2.4
167.84688	1.3
171.10139	2.7
173.13228	31.3
179.14313	5.2
191.14270	39.6
191.15985	2.1
192.14468	1.7
209.15292	19.6
227.16351	19.2
240.47017	1.7
242.94008	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1638
Annotation	Annuionone G
Peak:m/z	Relative Intensity
53.03930	1.8
55.01860	1.6
55.05507	12.4
57.07056	4.6
59.04998	1.2
67.05492	15.6
69.03422	10.7
69.07064	12.2
69.50891	7.9
71.04984	7.3
79.05481	16.0
81.07045	30.4
83.04990	6.1
83.08607	5.2
85.06525	11.3
91.05470	14.2
91.66325	1.1
93.07031	42.1
94.95020	1.0
95.04942	4.7
95.08595	29.9
97.06517	13.4
97.30656	1.0
98.21505	1.9
99.04415	3.6
99.08074	6.9
100.11237	1.1
105.07020	21.7
107.08579	100.0
109.06503	16.4
109.10141	27.2
111.08045	7.3
117.07017	2.3
119.08575	18.3
121.06487	11.3
121.10132	47.7
123.08053	20.7
123.11658	4.0
125.09582	4.0
131.08560	18.3
133.10110	33.8
133.10938	0.7
135.07098	1.3
135.08040	14.3
135.11661	7.7
137.09601	11.8
139.07545	1.2
139.11143	14.4
144.09297	1.3
145.10135	7.0
146.37169	1.2
147.11664	11.8
149.08524	2.0
149.09599	20.4
149.13245	44.2
150.13564	1.4
151.11157	19.7
153.09045	3.3
158.10857	1.6
161.13240	6.2
163.11147	2.7
163.14803	16.0
165.12746	2.6
167.10675	7.4
173.13239	29.2
173.56935	1.0
179.14314	5.9
191.10646	1.3
191.14287	38.6
209.11867	2.4
209.15311	18.2
215.77252	1.0
227.12727	1.7
227.16257	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	227.1636
Annotation	Annuionone G
Peak:m/z	Relative Intensity
55.05495	11.3
57.03431	2.1
57.07053	4.7
67.05482	14.0
69.03414	11.7
69.07053	12.0
69.63505	9.5
69.63920	3.3
71.04977	6.3
73.54829	1.2
79.05482	11.2
81.07040	30.8
83.04965	8.0
83.08582	5.2
83.59988	1.3
85.06516	9.6
91.05453	13.8
93.07024	39.0
95.04951	3.9
95.08595	28.8
97.06514	13.6
97.72128	1.4
98.20739	3.1
99.04411	2.3
99.08067	4.0
100.11257	1.7
105.07013	22.4
107.04929	2.4
107.08572	100.0
109.06495	14.2
109.10138	26.2
111.08037	4.7
117.06992	2.7
119.08558	15.6
121.06495	12.3
121.10120	48.5
123.08039	19.3
123.11711	2.9
125.09572	4.3
129.07068	1.6
131.08542	16.9
133.10103	34.8
135.08017	14.9
135.11671	9.3
137.09567	11.5
139.11145	12.2
139.61978	1.4
145.10065	7.7
147.11670	11.6
149.09584	19.3
149.13225	35.6
151.11151	19.1
153.09062	2.9
158.10889	2.4
161.13219	6.1
163.11108	2.8
163.14793	17.9
167.10626	7.3
173.13229	27.6
179.14281	4.7
191.10655	2.0
191.12621	2.8
191.14267	35.9
191.35863	1.6
209.15283	14.4
227.16437	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	227.1636
Annotation	MKN-003C
Peak:m/z	Relative Intensity
53.03936	2.0
55.01860	1.6
55.05500	6.4
56.96544	2.6
57.03416	2.9
57.07051	4.8
61.02911	1.9
65.03927	2.9
66.23226	1.1
67.05495	8.7
69.03398	2.2
69.07058	7.4
70.91470	3.6
71.01337	3.2
71.08616	1.4
72.93770	3.1
73.02911	1.4
77.00878	1.4
79.05479	100.0
79.41355	1.1
80.05777	1.4
81.07038	16.0
83.04958	4.8
83.08595	4.2
91.05467	6.4
93.03394	7.0
93.07029	29.5
95.01932	1.5
95.04951	3.7
95.08559	6.4
97.06502	7.1
97.10135	1.2
100.11239	9.8
105.07021	2.2
107.04964	7.5
107.08573	18.3
109.06467	2.0
109.10094	2.9
111.08063	2.1
113.96400	3.0
117.06994	3.6
119.08522	3.7
121.10125	5.2
122.03638	2.4
125.05961	9.0
125.09605	2.5
127.07520	4.1
131.08513	1.9
131.97418	3.6
133.10106	3.8
135.08063	2.3
135.11696	7.3
137.05946	30.3
138.06277	6.7
139.06502	1.8
139.07512	18.4
149.13231	49.3
153.09077	2.8
155.07008	1.8
157.08577	3.1
159.11681	5.4
167.06941	1.5
177.12718	47.4
180.50069	1.2
181.04980	2.3
184.05753	1.7
192.10860	7.6
192.60727	4.1
194.61015	2.3
195.10934	2.0
195.13766	13.7
209.11839	1.5
209.15283	22.1
212.11182	1.4
213.11493	1.4
227.06906	1.4
227.12810	2.7
227.17586	4.9
228.23232	2.0
228.26833	6.4
229.14603	1.5
247.15747	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1275
Annotation	11-Hydroxyjasmonic acid
Peak:m/z	Relative Intensity
53.03941	1.6
55.01848	5.9
55.05507	16.0
56.05002	1.3
56.33241	1.3
57.03414	5.5
57.07063	9.4
59.04979	1.7
65.03918	2.3
67.05165	2.4
67.05495	39.6
69.03426	10.8
69.07055	30.0
70.14762	7.7
71.04636	1.9
71.04983	23.9
73.02879	5.1
78.84675	1.4
79.05476	43.2
81.03416	2.4
81.07043	33.5
83.04982	15.1
83.08607	8.0
84.08106	2.2
84.52824	1.5
85.02863	2.7
85.06531	100.0
86.09698	12.7
91.05467	30.2
93.07036	49.7
95.04946	15.9
95.08593	27.0
97.06514	29.0
99.04423	5.2
99.08073	8.5
100.11240	19.7
105.03378	1.5
105.07020	35.6
107.04939	21.4
107.08578	96.4
109.06504	20.2
109.10145	21.6
110.07146	3.5
111.04440	12.2
111.08058	6.9
111.11748	1.6
112.09592	1.4
113.05963	1.6
113.96405	2.2
117.07006	11.5
119.08562	34.1
121.02820	2.1
121.06494	25.5
121.10128	57.0
123.04391	4.3
123.08043	18.4
123.11662	2.8
125.05960	6.2
125.09623	6.9
129.06979	5.3
130.07762	2.6
131.04915	1.8
131.08551	68.2
131.97418	1.8
133.10109	31.3
135.08043	14.8
135.11685	16.0
137.05940	3.6
137.09592	19.8
139.03860	1.9
139.07527	3.8
139.11145	13.0
140.04613	2.2
145.06429	2.0
145.10104	51.7
147.08064	8.7
147.11639	11.7
149.05966	4.4
149.09602	73.5
149.13243	35.5
150.09953	1.6
151.11140	18.9
153.05453	4.1
153.09071	5.5
155.06990	7.8
158.10930	2.0
161.13220	4.4
163.07497	3.8
163.11148	35.4
163.14792	17.5
165.09097	10.6
167.06998	10.2
167.08316	2.2
167.10660	37.5
169.06439	3.3
171.11739	2.2
173.09575	9.3
173.13260	21.7
177.05522	3.5
179.10548	1.6
179.14301	4.8
181.04994	7.5
181.08572	1.9
181.12183	1.8
185.13612	1.6
191.10635	65.8
191.14259	31.3
195.06404	1.9
197.11732	3.2
199.11182	2.6
204.46762	1.5
209.08377	2.5
209.11694	63.1
209.15295	10.2
227.08835	8.0
227.10713	1.2
227.12675	33.6
227.16187	2.1
227.17529	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	227.1275
Annotation	Erigerenone B
Peak:m/z	Relative Intensity
55.01868	1.7
55.05503	18.7
57.03419	3.5
57.07082	1.4
59.04984	2.3
60.86375	1.1
62.70853	1.0
64.47565	1.3
67.05490	8.6
68.99784	11.2
69.03426	4.5
69.07065	5.8
70.06588	1.4
70.23772	4.8
71.04987	2.4
72.93766	3.4
79.05479	9.2
81.07032	15.3
83.04964	4.4
83.08606	41.9
85.06519	2.0
85.10157	5.6
91.05470	26.5
93.07028	15.5
95.04954	31.3
95.08575	2.9
97.06510	5.4
97.10175	2.1
98.20879	1.5
99.04469	1.2
100.11230	13.5
101.02363	7.3
105.07037	4.5
107.04978	2.8
107.08579	55.5
109.06501	31.9
109.10143	12.3
111.04415	3.0
111.08065	100.0
113.96396	4.8
117.05470	1.3
117.06973	2.2
119.03412	8.2
119.08561	2.2
121.06465	2.5
121.10132	3.8
123.08046	2.1
125.09619	16.1
127.07545	3.3
131.08549	2.4
131.97398	5.6
133.10126	1.7
135.08049	14.6
135.11642	2.8
137.05949	8.4
137.93852	1.3
140.04675	1.7
141.09076	3.0
143.08606	1.9
145.10123	2.8
149.05907	2.0
149.09570	9.2
151.07504	7.4
153.09085	60.6
154.99092	1.2
155.07043	9.7
163.11125	2.6
167.07039	11.7
167.10715	8.2
169.08577	90.4
177.05473	1.9
177.09109	4.7
181.02888	1.2
181.04834	1.8
181.12175	1.5
185.11711	29.1
185.13382	1.6
191.10701	2.2
192.23112	1.2
195.10141	76.4
209.08112	1.7
209.11716	4.5
209.15230	2.2
227.10609	2.2
227.12711	5.3
227.14612	2.0
227.17747	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	227.1273
Annotation	Stagonolide
Peak:m/z	Relative Intensity
53.03933	1.8
55.01859	5.8
55.05498	10.7
56.96531	1.4
57.03418	1.9
57.07050	1.2
67.05163	0.9
67.05495	14.2
69.03400	1.9
69.07053	7.5
69.54971	3.7
69.55390	2.0
70.06567	0.9
71.04982	3.0
72.93774	1.5
73.02901	2.0
75.27515	0.6
79.05478	23.8
80.05793	0.6
81.03402	3.9
81.07040	18.2
83.04955	3.6
83.08607	10.5
85.06502	1.0
87.04500	0.8
91.05475	5.8
93.07028	33.1
95.04939	7.4
95.08588	39.9
97.02860	4.0
97.06515	4.6
97.10162	0.8
98.20747	0.9
99.04444	4.7
100.11248	3.3
105.07013	7.0
107.04942	7.6
107.08574	23.1
108.52294	0.7
109.06507	2.6
109.10121	2.8
110.07116	0.8
111.04433	2.2
111.08059	1.6
113.05966	1.4
113.96385	2.3
117.06987	6.5
119.08546	7.6
121.06478	5.9
121.10123	11.7
123.08083	0.8
125.05960	2.9
125.09621	1.0
127.51682	0.7
130.07777	1.7
131.04865	0.7
131.08496	0.7
131.83878	0.6
131.97409	1.8
133.10080	2.2
133.21255	0.7
134.19704	0.7
135.08020	2.5
135.11667	45.6
139.07484	1.8
143.08516	0.9
145.10094	25.5
149.09593	1.7
153.09079	1.2
153.12753	1.8
155.06943	0.7
163.11154	63.4
165.99483	0.7
167.06979	1.8
169.08603	0.9
173.09634	1.1
177.05258	0.8
181.12196	13.7
184.95982	0.6
191.10632	1.0
209.11708	1.7
227.12733	100.0
227.17497	3.1
228.13116	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1274
Annotation	(?)-12-Hydroxy-jasmonic acid
Peak:m/z	Relative Intensity
50.56131	0.7
54.84623	0.7
55.01860	24.9
55.05497	4.6
57.03424	1.4
57.07054	2.7
65.57040	0.7
67.05497	9.1
67.96893	0.7
69.03393	3.1
69.07055	16.1
70.18284	3.4
71.04980	3.8
79.05472	8.7
81.07033	10.5
83.04958	3.2
83.08592	1.4
85.06053	1.2
85.06528	15.0
91.05450	4.9
91.58169	0.9
93.07030	12.4
94.41722	0.7
95.04955	5.7
95.08589	20.0
97.06514	62.4
99.04438	6.4
100.09438	1.0
100.11236	6.5
105.07020	12.1
107.04939	2.3
107.08577	36.3
109.06496	11.6
109.10103	2.7
109.49400	0.7
110.06035	1.2
111.04432	0.8
111.08063	3.6
113.05988	5.1
115.07517	0.9
117.06998	0.8
119.08579	2.4
121.05899	0.6
121.06500	6.3
121.10119	11.0
123.08047	13.3
123.11688	1.2
125.05946	1.3
125.09566	1.0
127.07539	0.9
131.08508	1.1
133.10095	2.4
135.08026	2.0
135.11659	6.9
137.09549	0.8
139.11197	2.3
141.11443	2.2
145.10106	6.4
147.11644	2.1
148.08691	0.7
149.09616	5.2
149.13225	2.7
151.07536	9.7
151.11160	2.0
153.09064	0.8
153.12727	0.9
163.11143	21.2
163.14816	1.0
163.64331	1.6
167.10628	8.1
169.08572	100.0
169.12254	2.1
173.09549	1.5
173.13263	2.1
181.12193	12.4
182.15427	2.0
185.11671	2.8
191.10617	7.6
191.14265	2.2
209.11705	5.4
209.15321	1.4
213.17735	5.8
213.67850	1.3
227.12775	11.6
227.16096	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1481
Annotation	3-Oxo-2-(2Z-Pentenyl)cyclopentyl propionic acid
Peak:m/z	Relative Intensity
52.02465	0.9
55.05495	5.3
57.07048	3.5
59.04979	1.2
61.62505	0.9
66.65095	1.2
67.05473	2.9
69.03398	2.4
69.05031	1.0
69.07055	4.8
70.06489	5.7
70.31094	0.9
71.01299	1.0
71.04978	35.4
74.77705	1.0
74.88065	1.2
79.05488	6.3
81.03390	2.1
81.07041	9.5
83.04951	3.7
83.08609	7.1
85.02880	2.6
85.06498	1.7
87.04456	1.5
91.05448	4.6
93.07040	5.7
95.04959	2.2
95.08591	10.2
97.02851	1.7
97.06515	15.9
99.04436	100.0
99.08065	1.8
101.05994	1.2
101.95007	2.3
105.03314	1.4
105.07017	7.6
107.04910	1.8
107.08575	35.5
109.05781	1.5
109.06499	26.4
109.10155	1.7
111.08076	2.5
111.11701	1.5
113.09628	5.7
119.08527	3.7
121.06493	1.5
121.10114	15.3
123.08051	22.7
123.11684	17.0
125.09588	7.9
127.07548	2.5
131.08466	2.1
133.06516	1.2
133.10107	2.5
135.11630	1.3
137.05980	1.3
137.09570	2.2
137.13231	2.8
139.11156	3.7
141.09047	1.1
141.12666	2.7
143.08517	1.3
147.11667	7.2
149.09579	13.6
151.07579	2.3
161.09595	2.4
161.13205	2.6
163.11134	1.6
165.12729	16.0
167.10641	34.3
179.10641	1.5
179.14273	2.9
179.17487	1.0
183.13773	46.6
189.12701	5.4
207.10013	1.1
207.13750	12.1
225.14789	29.8
245.90260	1.0
247.60924	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1275
Annotation	(?)-12-Hydroxy-jasmonic acid
Peak:m/z	Relative Intensity
55.01862	24.4
55.05495	3.4
56.98238	0.4
57.03421	1.5
57.07067	3.0
59.05003	0.5
60.73174	0.4
62.04799	0.5
65.03917	0.8
67.05495	10.0
69.03428	2.6
69.07057	14.9
69.44871	3.8
71.04974	3.4
79.05480	8.3
81.07048	7.5
83.04973	1.9
83.08601	1.3
85.06531	16.5
86.09699	0.7
91.05460	4.6
93.07034	11.0
93.84506	0.4
95.04954	4.4
95.08595	20.3
97.06516	62.8
99.04438	4.1
99.08074	0.9
100.11236	4.6
105.07011	10.3
107.04953	1.8
107.08581	27.4
109.06501	11.2
109.10104	2.3
111.04458	0.5
111.08060	2.3
111.11649	0.6
113.05997	4.9
115.07564	0.9
117.07034	0.7
119.08584	3.3
121.06507	4.1
121.10123	8.7
123.08048	12.5
123.11672	0.7
125.05958	1.1
125.09623	1.0
127.07529	1.1
131.08522	3.3
131.97408	0.7
133.06508	0.7
133.10120	2.5
135.08075	1.2
135.11661	4.1
137.06068	0.5
137.09601	1.2
138.01492	0.5
139.07555	0.9
139.11205	2.1
143.06966	0.6
145.10101	6.7
147.11673	1.7
149.09596	4.7
149.13231	3.0
151.07512	11.1
151.11163	1.7
151.40047	0.5
153.09106	1.1
157.08572	1.3
163.11156	14.5
163.14798	1.0
165.09090	0.5
167.07005	1.3
167.10686	7.2
169.08575	100.0
169.12244	2.2
170.08910	1.0
171.10159	0.5
173.09605	1.4
173.13249	1.7
175.79413	0.5
181.12219	6.9
185.11670	1.5
191.10634	6.7
191.14323	2.6
209.11729	6.0
209.15346	1.8
218.38959	0.4
227.12740	8.2
227.16226	1.1
227.17722	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1846
Annotation	(E,E)-12-Hydroxy-6,10-dimethyl-6,10-dodecadien-2-one
Peak:m/z	Relative Intensity
50.12836	0.9
51.46204	0.8
53.03930	4.1
55.01854	1.7
55.05503	25.7
57.03416	1.4
57.07069	19.1
62.11697	0.9
65.03918	1.7
67.05493	62.0
68.32529	0.9
69.07057	30.7
69.79794	5.3
71.04961	4.0
71.08613	7.4
73.02883	2.1
79.05470	10.7
81.03414	6.3
81.07044	96.4
82.07352	0.8
82.72767	0.9
83.04952	3.8
83.08137	1.3
83.08607	19.5
83.65740	0.9
85.02895	1.3
85.06515	2.0
85.10163	3.0
87.08094	1.5
91.05462	4.6
93.07027	8.6
95.04950	9.6
95.08591	100.0
96.08902	1.1
97.06516	2.4
97.10159	17.1
98.21396	1.2
99.04448	4.9
99.08051	1.0
101.95004	4.4
105.03369	1.3
105.07014	5.6
107.08577	7.2
109.06513	6.5
109.10139	56.6
111.11675	2.8
113.05991	0.9
119.08558	4.2
119.96058	3.0
121.10113	4.1
123.08051	7.0
123.11689	30.4
125.09557	2.6
129.29967	0.9
133.10095	5.8
135.11636	2.5
137.09572	3.0
137.13223	5.2
137.97076	1.5
147.11678	3.8
149.13214	1.0
151.11113	1.3
160.98637	2.1
165.16373	3.2
167.10622	2.0
179.17920	18.1
181.93475	0.8
183.11586	1.1
189.16333	9.8
190.16534	0.9
207.17390	11.0
225.12846	1.8
225.14815	3.6
225.18198	5.0
226.09669	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1481
Annotation	Apiosporic acid
Peak:m/z	Relative Intensity
53.18545	2.0
55.01857	2.0
55.05500	13.2
57.03429	2.6
57.07057	8.1
59.04999	1.7
61.02918	3.2
67.05489	11.8
69.03406	10.8
69.07053	13.3
71.04983	44.9
79.05488	13.1
81.03422	4.0
81.07034	25.2
83.04964	8.9
83.08600	8.9
85.02880	10.6
85.06530	5.0
87.04453	2.1
88.04680	2.1
91.05451	12.5
93.07028	29.4
95.04951	6.2
95.08585	28.4
97.02875	2.6
97.06502	12.7
99.04436	100.0
99.08082	2.7
100.11263	2.4
101.95025	2.7
103.05439	2.0
104.97434	2.4
105.03377	3.7
105.07013	32.7
107.04922	4.0
107.08577	61.1
109.06495	33.4
109.10158	12.0
111.04504	2.1
111.08047	3.6
113.09599	5.7
115.05431	2.1
115.07500	2.7
117.07005	3.0
119.07755	4.0
119.08553	38.3
121.06511	5.2
121.10120	43.2
123.08045	41.1
123.11678	21.3
125.05972	4.0
125.09612	13.3
127.07548	2.7
131.08514	3.7
133.10123	9.3
135.08041	13.5
135.11664	14.0
137.06003	3.6
137.09589	18.9
137.13211	5.7
139.11159	8.5
141.09085	5.0
145.10104	4.2
147.08003	7.5
147.11635	18.4
149.09572	21.2
151.07541	6.0
151.11171	7.0
151.14813	2.2
161.09610	6.1
161.13228	43.1
163.11163	7.4
165.09097	19.0
165.12703	20.4
167.10638	37.0
171.11682	5.1
174.10333	3.1
175.03793	2.5
179.10631	3.8
179.14293	22.7
181.12230	8.0
183.13786	42.7
189.09090	2.8
189.12714	18.1
207.06525	4.6
207.10252	4.8
207.13747	23.9
225.09196	2.7
225.11314	3.2
225.14769	45.5
225.19624	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1481
Annotation	Sundiversifolide
Peak:m/z	Relative Intensity
52.50115	1.2
55.02657	1.2
55.05500	3.2
57.03450	1.3
57.07066	4.0
59.04989	3.0
67.05489	15.2
69.03416	1.8
69.62679	10.5
79.05481	5.2
81.07053	19.7
83.04984	2.8
83.08595	2.1
83.66967	1.2
85.02891	100.0
85.06536	6.5
91.05468	4.1
93.07034	6.9
93.47579	1.4
95.08591	58.0
97.06508	1.5
99.04429	3.1
105.07009	5.0
107.08540	6.9
109.06518	3.9
109.10145	9.3
111.11989	1.3
113.05997	3.6
115.15804	1.3
119.08565	9.8
121.06545	1.9
121.10126	11.0
123.08057	22.2
123.11686	84.4
125.05981	4.5
125.09621	1.4
133.10121	2.5
135.11642	7.4
137.09622	3.1
141.09058	4.0
145.10045	1.4
147.08054	3.2
147.11673	6.6
149.09584	19.6
151.07466	2.8
151.14793	1.5
161.13219	7.4
163.11230	2.2
165.09074	1.9
165.12759	5.6
169.08752	1.9
171.11804	1.6
176.95241	1.2
179.14325	3.2
188.57025	1.5
189.12698	10.0
207.13757	30.9
225.14804	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	225.1481
Annotation	Apiosporic acid
Peak:m/z	Relative Intensity
53.03943	2.7
55.01856	3.2
55.05505	26.3
56.05959	1.4
57.03424	2.6
57.07056	2.8
67.05495	14.1
69.03418	10.3
69.07043	6.2
70.74172	5.7
71.04994	10.6
79.05476	12.4
81.03364	1.7
81.07030	14.4
83.04968	6.3
83.08556	1.8
85.02885	4.0
85.06537	2.8
86.09707	3.1
91.05465	33.3
93.07038	16.0
95.04963	8.9
95.08598	16.8
96.32117	1.5
97.06515	4.8
98.97577	2.2
99.04438	12.2
101.95039	1.8
103.05420	2.3
104.13631	1.5
105.03338	4.0
105.07011	47.0
107.04931	4.9
107.08575	47.7
108.05737	2.7
109.06499	11.3
109.10150	16.8
115.05435	3.3
116.00620	1.5
117.06985	8.3
119.01884	2.0
119.04936	12.4
119.08565	79.5
120.05704	1.4
121.06470	14.9
121.10117	15.5
123.08047	100.0
123.11667	4.8
125.05957	4.7
125.09596	3.9
128.06210	1.9
129.06981	3.3
131.08551	10.8
133.06479	5.5
133.10094	24.6
135.08009	20.5
135.11667	5.1
137.09595	15.6
141.06956	3.0
143.08521	6.7
144.09320	3.8
145.06459	2.1
145.10060	5.7
147.04395	10.7
147.08012	12.7
147.11667	46.9
149.02312	2.4
149.09616	9.2
149.13135	2.4
151.07507	3.6
153.09056	3.6
156.09311	8.7
159.08130	1.6
159.11668	35.9
161.09616	12.5
161.13239	38.3
163.11165	5.5
165.09157	5.3
165.12701	3.2
167.10693	5.8
171.11667	8.9
175.03908	14.3
177.12761	14.5
179.10663	7.1
179.14290	1.7
189.09073	6.8
189.12703	25.4
192.04176	6.8
195.13733	1.8
207.06517	26.4
207.10175	7.6
207.13773	42.9
225.05400	1.7
225.09151	2.3
225.11121	4.0
225.14877	5.4
225.19460	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.0754
Annotation	2-Benzylmalic acid
Peak:m/z	Relative Intensity
53.04013	0.7
55.01693	0.6
55.01931	0.8
55.05602	1.8
56.96635	0.7
57.03260	0.4
57.03500	0.6
57.06873	0.9
57.07161	1.3
65.04041	2.0
67.05602	1.5
69.03524	1.8
69.07162	1.2
69.80261	3.0
71.05092	2.6
71.08699	0.5
73.02995	0.7
77.03985	0.9
79.05141	0.8
79.05595	1.9
79.59586	0.4
81.07157	3.0
83.05083	4.0
83.08688	0.4
84.08205	0.8
85.03004	1.6
85.06599	0.8
89.04007	1.1
91.04958	2.9
91.05579	37.1
93.07148	3.0
95.04964	5.5
95.08705	2.9
97.02397	0.4
97.02983	1.7
97.06628	1.3
98.97673	1.4
99.04552	5.6
101.06097	0.4
103.05466	2.1
105.03394	2.2
105.07014	3.5
106.06618	0.9
107.05055	1.3
107.08582	5.1
108.05804	0.6
109.06503	3.8
109.10220	0.9
111.04467	0.7
111.08131	0.9
113.06066	0.7
113.09652	0.5
116.98680	0.5
117.07047	0.8
118.04134	4.4
119.03703	1.3
119.04929	44.6
119.08563	4.8
120.05301	0.5
120.08176	0.6
120.77483	0.4
121.02905	0.8
121.06577	1.3
121.10126	4.3
122.03682	0.5
123.04447	2.3
123.08047	4.9
123.11787	2.0
125.05297	0.4
125.05979	2.3
125.09692	1.1
128.98584	0.5
129.03430	0.9
129.10329	0.5
131.04886	0.5
131.08588	1.1
132.02065	3.5
132.22951	0.5
133.02867	0.8
133.07719	0.5
133.10197	1.5
134.06049	1.7
135.04454	1.5
135.08095	1.1
135.11763	0.7
136.05203	2.1
136.07608	0.5
137.06070	1.2
137.09650	1.4
139.66151	0.4
140.04742	0.5
141.09149	0.7
143.08621	0.7
145.02869	0.7
145.10197	0.8
146.03656	1.8
147.04391	39.6
147.08041	1.0
147.11684	2.3
149.02321	6.3
149.06006	0.8
149.09602	2.7
151.07527	2.1
151.11162	0.5
153.05487	0.9
153.09009	0.6
155.07092	0.5
156.09297	0.8
157.03949	3.8
159.11729	0.6
161.01140	0.6
161.07121	0.9
161.09639	1.5
161.13257	1.8
162.05484	5.6
163.03932	1.6
163.11169	4.4
164.04671	5.4
164.06953	2.3
165.05560	0.6
165.09111	1.6
165.12723	2.0
167.10684	2.9
167.11885	0.5
169.08621	0.8
171.11766	0.8
174.03154	1.4
175.03885	66.0
176.04170	1.0
177.01784	2.0
179.06912	4.6
179.08223	1.1
179.10628	1.5
179.14275	1.2
180.06517	3.4
180.08939	0.6
181.03445	0.6
181.08588	0.6
181.12248	0.5
183.06471	1.5
183.13774	1.6
189.09058	0.5
189.12682	2.0
190.05026	2.1
192.04150	21.0
193.04825	0.9
204.06371	1.2
207.06421	100.0
207.13786	4.2
208.05988	11.4
213.06868	1.6
219.01784	0.6
225.08569	4.0
225.11075	0.8
225.14766	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	225.0716
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76818	1.1
69.22838	1.2
70.22550	5.8
70.27640	1.0
74.23193	1.1
101.00854	20.9
102.35745	1.3
115.58885	1.1
119.01900	100.0
120.01970	2.3
124.02436	3.3
137.02936	29.7
140.20668	1.2
141.52382	1.1
142.03470	57.9
160.04539	21.8
161.02934	20.7
165.05072	2.4
177.00923	10.6
178.01076	1.2
179.03990	43.4
184.04523	4.9
199.50084	8.1
200.00087	3.7
202.05597	4.8
211.00784	2.2
219.01990	9.7
238.95473	1.8
243.02057	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.0717
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95350	1.9
53.03925	2.3
55.01857	4.5
55.05497	5.9
56.05017	3.5
56.96548	17.7
57.03420	9.8
57.07056	6.9
59.04971	2.6
59.23101	1.7
60.04501	5.4
61.02911	7.9
67.05484	6.7
68.14073	1.9
69.03416	8.7
69.07055	6.0
70.06580	9.0
70.14844	9.8
70.98125	2.2
71.04979	5.6
71.08610	3.8
72.08141	12.2
73.02900	14.7
74.03226	1.9
74.06076	3.0
79.05471	3.9
80.94956	1.9
81.03413	3.2
81.07034	7.7
83.08590	2.5
84.04485	7.6
84.08121	24.9
84.96022	6.6
85.02891	18.0
85.06579	2.1
85.97443	2.0
86.09686	8.3
88.03951	2.2
89.52919	1.8
91.05463	8.5
94.01757	2.2
94.93002	3.3
95.04948	4.6
95.08611	5.8
97.02879	12.0
97.06496	2.3
98.97567	15.5
98.98149	2.0
98.98423	1.8
99.04443	6.7
101.00845	10.9
101.94999	5.6
102.00893	1.7
102.92597	3.7
105.03384	4.8
105.06979	4.1
107.04939	5.7
107.08570	3.8
109.02859	2.3
109.06484	5.6
109.10139	4.1
110.07133	2.1
116.98617	11.0
119.01899	100.0
119.04916	5.3
119.08540	2.1
119.96065	3.1
120.01986	3.0
121.17716	1.9
123.04458	4.2
123.08058	9.2
123.11694	5.2
125.09595	3.7
127.03909	6.7
128.98579	3.2
129.10217	7.6
130.08609	3.7
131.01857	4.3
132.01965	3.1
133.01617	4.3
133.03433	2.8
134.99646	8.6
136.06161	40.0
137.02940	48.6
137.04521	2.1
137.06546	3.3
137.09569	2.8
137.97081	3.6
138.53459	2.3
139.03337	2.0
142.03481	68.9
143.01852	5.4
143.03580	2.6
145.03375	4.5
146.99599	3.1
147.04376	6.0
147.11349	2.6
149.09624	2.4
150.05441	10.7
152.95248	2.3
154.03801	2.5
154.06253	2.1
154.94193	2.6
155.01817	3.4
156.01990	2.7
157.01604	2.0
158.99608	3.2
160.04518	25.1
160.98703	2.4
161.01419	3.4
161.02904	34.2
161.73970	1.8
162.03142	4.8
162.05475	2.7
163.02596	3.2
163.03899	2.6
165.05179	5.4
166.08629	5.5
166.54089	2.0
167.10658	7.0
169.94292	1.8
172.95198	5.2
173.02969	6.4
174.03166	4.4
174.54672	2.8
175.02597	4.1
175.04024	6.7
175.11836	2.2
177.00627	2.3
179.02380	2.8
179.03964	59.2
180.04202	2.5
182.99571	3.4
183.04924	7.3
184.02852	3.9
184.04631	13.3
185.02875	3.5
189.12683	3.0
190.96245	2.3
192.05521	7.5
192.55594	22.8
193.05460	12.4
194.96317	2.5
196.95232	3.3
197.03172	3.1
201.00673	5.5
201.06090	2.3
201.56213	3.9
201.98572	2.2
202.03844	11.8
202.05675	10.9
202.51749	3.7
203.03915	4.1
205.03857	2.7
207.06438	11.8
207.10074	1.8
207.13794	6.8
207.18877	1.9
211.52263	27.6
214.96272	5.1
219.01730	2.6
220.04868	3.4
220.52744	5.4
223.03078	3.9
225.04092	3.9
225.11890	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	224.0913
Annotation	N-acetyl-DL-tyrosine
Peak:m/z	Relative Intensity
52.22055	0.7
55.05497	1.1
56.96568	1.3
58.17569	0.7
60.04507	2.0
65.03925	0.6
67.05480	1.5
69.03410	1.2
70.06583	1.7
72.08142	2.5
79.05477	1.7
81.07056	1.2
83.04946	2.0
84.04502	0.8
84.08137	6.6
85.02905	1.5
86.09695	2.1
91.05461	12.9
95.04963	1.8
98.97566	0.9
105.03365	0.8
105.06975	1.1
107.04961	0.9
107.08594	1.6
109.06473	0.9
116.98611	0.8
118.06515	2.1
119.01834	0.8
119.04926	16.0
119.08617	0.8
123.04406	12.1
123.07987	0.8
129.05443	0.8
129.10208	1.3
130.06491	1.5
136.07556	100.0
137.07986	1.1
146.05922	0.9
147.04393	7.3
149.02318	1.1
149.06039	0.8
150.02657	1.4
165.05460	19.6
167.99289	1.2
175.03917	2.1
178.08607	25.1
178.13100	1.1
182.08104	19.9
206.08177	2.1
207.06512	3.1
224.06645	1.2
224.09207	2.9
224.13437	1.6
225.04323	1.6
226.04314	3.2
237.02646	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.2415
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	3.9
55.05256	4.0
55.05501	50.0
57.07066	36.4
67.05493	5.7
67.63354	3.7
69.07053	100.0
71.08624	21.9
71.60301	3.4
81.07022	5.5
83.08603	68.7
85.10165	9.8
85.16377	3.7
97.10148	52.5
109.28583	3.1
111.11693	23.7
111.68044	3.4
120.77039	3.6
121.10144	3.7
122.07067	3.6
125.09523	3.1
125.13258	5.9
149.02304	17.1
199.95656	3.7
205.12230	3.6
208.22041	4.0
223.13206	6.9
223.16899	5.9
225.04271	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	223.1327
Annotation	(+/-)-6-Hydroxy-3-oxo-alpha-ionone
Peak:m/z	Relative Intensity
53.03921	4.5
55.01852	4.7
55.05502	60.2
57.07054	2.1
58.86785	1.5
59.04984	1.8
67.05489	9.8
68.61056	1.6
69.03414	13.0
69.07043	6.8
70.06582	2.2
70.87728	3.5
70.88082	2.1
71.04974	4.7
73.92935	1.8
76.11627	1.5
79.05487	15.6
80.25013	1.4
81.03381	2.1
81.07041	12.7
81.44337	1.4
83.04971	100.0
84.08118	5.4
85.02894	50.9
85.03412	2.2
86.09679	4.1
89.06045	2.7
91.05458	18.0
91.17558	1.5
93.07030	26.9
95.04930	7.4
95.08594	25.6
97.06516	7.1
99.04414	3.2
99.08076	4.9
101.06019	1.9
103.05420	2.9
105.07009	14.0
107.04945	12.4
107.08587	23.8
109.02828	2.6
109.06512	12.2
109.10139	20.2
110.03596	1.5
111.04396	3.6
111.08051	4.7
115.05445	1.6
115.38616	1.8
116.98669	2.0
117.06994	5.7
118.05504	1.6
119.01936	1.7
119.08572	25.9
120.08056	3.2
121.02853	2.1
121.06485	13.3
121.10130	30.7
123.08052	33.0
125.06000	9.5
125.09622	7.2
125.16705	1.6
129.10191	2.2
130.07762	3.1
131.08603	7.7
133.10097	5.5
135.04362	3.0
135.08029	13.8
135.11653	15.4
137.05971	3.2
137.09595	20.3
139.07501	4.3
143.08534	2.4
145.06471	2.0
145.10114	13.6
147.08015	12.8
147.11629	1.8
149.02313	15.5
149.05968	3.9
149.09615	7.1
149.13261	3.1
151.07495	2.0
151.11182	2.1
159.08052	2.7
159.11676	13.8
160.06209	1.8
161.09584	7.4
162.03017	2.6
163.07523	4.5
163.11185	43.1
165.09090	31.5
166.08725	2.1
167.06990	5.2
175.11055	1.9
177.05499	2.3
177.09056	3.7
177.12735	12.3
179.10695	1.9
181.12196	10.2
187.07506	1.6
187.11119	7.5
192.05457	3.4
193.12180	3.3
205.08528	3.9
205.12222	22.9
206.12462	2.3
208.03621	3.8
223.05920	9.6
223.13258	67.0
223.16792	2.6
224.06693	2.5
225.04218	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	223.1325
Annotation	Aristelegone D
Peak:m/z	Relative Intensity
52.82462	2.2
53.03913	4.6
53.62283	2.0
54.95926	2.1
55.01850	5.4
55.05500	28.8
56.44313	2.3
57.03420	4.1
57.07062	2.9
59.04985	2.3
60.04496	3.8
65.03927	2.4
67.05499	24.2
69.03418	16.2
69.07063	18.2
70.06577	3.1
70.68965	7.9
71.04980	11.0
73.02894	2.0
79.05110	2.2
79.05482	22.3
81.03363	2.2
81.07041	22.4
83.04966	72.5
84.08131	2.7
85.02870	6.4
86.09673	3.6
91.05456	28.3
93.07033	37.3
95.04955	23.8
95.08591	68.8
97.02839	2.5
97.06513	27.9
99.04425	8.8
105.06371	2.8
105.07007	25.7
106.04974	2.9
107.04911	6.1
107.08576	41.3
109.06521	13.1
109.10121	12.2
111.04375	10.6
111.08061	4.8
115.05396	2.5
117.07018	11.0
119.04942	2.8
119.07767	3.5
119.08556	42.8
121.02876	3.2
121.06478	30.6
121.08408	2.3
121.10116	30.7
123.04424	5.4
123.08041	67.1
125.05944	9.8
125.09634	5.2
129.05460	21.0
129.06947	5.0
131.06831	9.6
131.08545	14.0
133.06427	3.1
133.10115	16.5
135.04375	3.7
135.08037	86.2
135.11646	13.8
137.05977	11.8
137.09564	13.6
139.07503	3.8
143.07001	13.2
143.08531	2.4
144.09326	7.7
145.06427	3.7
145.10130	13.1
147.08051	12.5
147.11607	7.6
149.02322	10.8
149.05959	5.0
149.07835	3.1
149.09572	11.0
149.13208	8.4
151.07504	15.0
151.11180	3.1
153.09096	3.0
157.10004	3.4
159.06352	4.8
159.08035	3.3
159.11661	47.2
160.08807	5.0
161.05836	2.6
161.09573	9.0
162.03076	2.6
163.03899	15.1
163.07544	3.4
163.11160	21.2
165.09097	43.1
165.12737	3.9
167.06989	6.5
175.11151	23.3
177.05379	2.8
177.07364	8.6
177.12727	33.9
179.10628	25.2
181.12195	5.3
187.11151	6.6
193.12216	23.2
205.08574	6.4
205.12192	28.2
210.72130	2.3
216.10474	2.2
223.05952	7.9
223.13234	100.0
223.16701	3.8
224.06564	2.1
225.04204	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	223.1326
Annotation	(+/-)-6-Hydroxy-3-oxo-alpha-ionone
Peak:m/z	Relative Intensity
51.36287	2.1
53.03925	6.0
55.01849	5.0
55.05265	2.8
55.05502	47.4
57.03409	4.2
67.05500	23.6
69.03418	16.3
69.07043	14.9
69.97665	11.5
71.04984	13.4
72.08132	2.5
73.02873	2.9
73.06507	2.4
73.37650	2.0
77.68481	2.5
79.05477	20.6
81.03407	4.9
81.07042	25.7
82.41660	2.0
83.04475	4.9
83.04965	97.5
83.08602	2.3
84.04483	4.1
84.08112	9.3
85.02901	18.3
85.06509	2.2
86.09681	14.0
87.04432	2.9
88.86610	2.3
91.05460	21.6
93.06480	2.2
93.07033	37.3
95.04984	18.4
95.08585	52.0
96.31945	2.0
97.06515	30.0
98.97570	3.2
99.04420	7.0
99.08073	5.4
103.05421	2.9
104.06265	2.4
104.72746	2.3
105.07017	23.7
107.04928	6.0
107.08572	32.5
109.06524	13.9
109.10123	15.8
111.04395	4.5
111.08045	5.4
113.06054	3.1
115.05366	2.5
117.06989	7.4
119.08558	44.6
120.08080	5.9
121.06479	31.5
121.10117	35.8
123.04411	2.4
123.08044	63.6
125.05999	10.8
125.09596	4.8
127.07520	3.9
129.05492	13.8
129.06956	5.1
129.10184	11.2
130.07719	4.4
131.08560	13.4
133.06451	5.0
133.10091	9.6
135.04454	3.2
135.08032	59.9
135.11673	23.7
137.05945	8.7
137.09616	25.1
139.07494	3.5
143.06992	12.2
144.09305	8.7
145.10098	20.3
147.08047	16.2
147.11578	2.8
149.02335	18.7
149.09573	8.5
149.13220	10.5
151.07506	7.2
151.10997	2.6
153.09045	3.5
158.94194	2.3
159.08003	4.1
159.11665	45.7
160.08792	2.5
161.09587	8.1
163.03886	6.5
163.07457	6.2
163.11153	50.5
165.09090	52.5
167.07056	2.8
172.08716	2.6
175.11130	16.4
177.00764	2.3
177.05318	3.1
177.09258	2.8
177.12703	42.1
179.10608	13.5
181.08618	5.2
181.12207	14.2
182.57616	2.1
187.11134	9.9
191.05806	2.2
193.12187	9.9
205.08682	3.1
205.12166	36.2
223.05977	8.0
223.13243	100.0
223.16762	4.8
225.04233	9.5
227.02359	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	223.0961
Annotation	2E,4E,8E,10E-Dodecatetraenedioic acid
Peak:m/z	Relative Intensity
55.05493	0.4
57.03421	0.3
57.07055	0.4
66.59262	0.2
67.05484	0.7
69.03419	0.3
69.07063	0.7
69.56879	1.4
69.57291	0.4
70.06559	0.3
71.04980	0.4
79.05470	0.8
81.03406	0.4
81.07045	1.3
83.04968	0.8
83.08602	0.4
83.60271	0.2
85.02882	0.4
85.06562	0.3
86.09718	0.2
89.85037	0.3
91.05468	3.0
93.07041	1.7
95.04947	1.0
95.08578	1.4
97.06509	0.4
98.20776	0.5
99.04443	0.3
103.05444	0.3
105.07020	1.0
107.04938	1.3
107.08582	1.1
109.06511	1.1
109.10123	0.6
111.08085	0.3
115.05450	1.4
116.06250	0.3
116.98624	0.4
117.07008	3.2
119.04936	0.6
119.08576	1.0
121.06482	7.9
121.10121	0.9
123.04409	0.3
123.08092	0.7
125.06030	0.2
131.04935	0.5
131.08525	0.4
132.05695	0.6
133.06456	0.9
133.10110	0.4
134.07231	1.2
135.04456	0.4
135.08028	1.1
135.11670	0.8
137.05960	1.0
137.09566	0.3
144.05679	0.4
145.06439	1.7
145.10078	0.6
146.07259	5.1
147.04388	2.0
147.08023	4.0
147.43277	0.2
148.05133	0.4
149.02313	3.5
149.05975	0.8
149.09547	1.9
153.09073	1.0
158.03571	0.4
158.99541	0.2
159.08057	0.4
159.11665	0.4
161.05928	1.1
162.06732	6.9
163.03854	0.8
163.07526	2.9
163.11147	0.9
165.06923	0.3
165.09084	0.9
167.06960	0.5
177.00636	0.5
177.09076	67.2
178.09482	0.5
187.11192	0.4
190.06215	4.9
191.10645	0.5
195.10121	3.6
205.08563	100.0
206.08965	1.2
223.09610	80.5
223.13220	2.5
223.16606	1.1
224.09996	1.1
225.04253	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0961
Annotation	2E,4E,8E,10E-Dodecatetraenedioic acid
Peak:m/z	Relative Intensity
53.03928	5.0
53.46912	1.1
53.51588	1.1
55.01860	4.1
55.05505	8.6
57.03436	2.1
57.07061	7.4
59.04995	1.4
63.62024	1.5
65.03924	11.9
67.05497	10.3
69.03401	5.8
69.07054	3.1
70.06577	2.6
70.32867	2.8
70.33253	4.7
71.04979	4.2
77.03899	1.3
79.05478	43.7
81.03413	7.3
81.07037	15.4
83.04962	17.4
83.08617	3.6
84.08151	1.6
85.06533	4.3
91.05452	25.0
93.03394	15.0
93.07022	20.4
95.04945	16.5
95.08584	8.5
97.02896	3.5
97.06512	4.4
98.21396	1.7
99.04434	3.4
103.05438	4.3
105.03349	1.4
105.04491	1.6
105.07005	18.8
107.04933	45.6
107.08573	18.5
107.28947	1.4
109.02853	1.8
109.06498	10.6
109.10120	3.4
111.04417	7.3
111.08028	3.4
113.05956	1.5
115.05402	1.8
116.06168	1.1
117.06992	4.1
119.04928	4.5
119.08563	9.5
121.02803	6.4
121.06481	8.2
121.10130	12.9
123.04469	1.3
123.08034	5.3
125.05973	4.6
125.09595	1.9
129.07004	4.1
131.04919	1.8
131.08534	14.0
133.06494	4.1
133.10094	3.1
135.04382	23.2
135.08043	6.5
135.11684	5.0
137.05986	2.5
137.09589	2.6
139.03807	1.6
139.07521	3.6
139.43385	1.4
141.05424	1.3
143.08597	2.0
145.10083	7.0
147.08038	1.7
147.11609	1.5
149.02321	23.6
149.05940	3.0
149.09602	15.3
151.03870	3.0
153.05418	2.0
159.08058	3.7
159.11682	7.2
161.09656	2.7
161.13263	1.4
163.03879	100.0
163.07539	4.0
163.11174	9.5
164.04340	1.7
165.09077	2.9
167.07057	1.9
167.10622	4.5
177.00706	2.8
177.05389	2.4
177.09074	15.4
177.12683	5.9
179.10611	2.1
181.12248	1.7
187.11208	3.5
187.14865	1.4
190.02628	1.4
195.10164	5.0
205.08568	34.4
205.12132	11.9
205.15939	2.5
208.03720	1.3
223.06058	7.1
223.09535	26.9
223.13107	15.4
223.16905	7.6
223.18843	3.8
225.04208	7.0
227.02336	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	223.096
Annotation	Monoisobutyl phthalate
Peak:m/z	Relative Intensity
55.01860	0.2
55.05489	0.5
57.06816	0.3
57.07073	3.2
65.03926	1.5
67.05481	0.7
69.03416	0.7
69.07043	0.6
69.41279	1.8
70.06554	0.2
71.04984	0.3
79.05477	0.9
81.03403	0.3
81.07034	1.3
83.04972	0.3
83.08595	0.2
85.02882	0.2
85.06525	0.3
91.05470	0.5
93.03389	0.8
93.07042	1.2
95.04935	0.8
95.08569	1.3
97.02843	0.4
97.06483	0.3
99.08057	0.2
104.95340	0.2
105.07000	0.6
107.04967	0.5
107.08582	1.5
109.06506	0.4
109.10125	0.5
111.04429	0.5
111.08072	0.4
119.08551	0.5
121.02853	6.8
121.03934	0.7
121.06503	0.7
121.10118	1.0
123.08041	0.6
123.11663	0.3
125.05936	0.3
125.09634	0.5
131.08586	0.3
133.10107	0.4
135.04420	0.4
135.08066	0.3
135.11696	0.7
137.09630	0.4
139.07489	0.3
139.11148	0.2
145.10101	0.6
147.11664	0.2
149.02325	100.0
149.13235	0.4
150.02731	0.9
159.11690	0.8
161.09563	0.2
163.03845	0.3
163.07578	0.4
163.11151	1.3
163.14841	0.2
165.09068	0.3
167.03395	1.9
167.07022	0.3
177.09079	0.3
177.12711	1.1
181.12289	0.3
187.11084	0.3
190.04979	0.7
191.03569	0.2
191.10683	0.5
205.08626	0.2
205.12170	1.9
223.05917	0.9
223.09457	0.3
223.11249	0.4
223.13275	2.0
223.14703	0.2
223.16930	0.7
223.20659	0.3
225.04286	0.8
240.63968	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0959
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	0.3
56.96537	0.4
57.07069	3.1
65.03919	1.7
67.05496	0.7
69.03403	0.5
69.07043	0.4
69.41548	2.9
77.01778	0.3
79.05479	0.6
81.07047	0.8
83.04982	0.7
85.02894	0.6
91.05476	2.1
93.03400	0.8
93.07020	1.0
95.04956	0.6
95.08595	1.3
98.98444	0.4
105.07002	1.1
106.07328	0.5
107.08574	1.4
109.06441	0.4
111.04419	0.8
111.08123	0.4
115.05438	2.2
116.05748	0.4
117.06161	0.6
117.07002	2.5
118.07331	1.0
119.07663	1.3
119.08573	0.8
121.02850	6.3
121.03989	1.0
121.06480	0.6
121.10109	0.8
125.09588	0.4
131.08484	0.4
135.11658	0.3
135.17754	0.3
139.07559	0.3
143.74057	0.3
145.06461	1.3
146.06798	0.6
147.07039	1.4
147.08067	0.5
149.02319	100.0
150.02628	0.9
151.06508	0.4
159.11710	0.4
163.06432	0.3
163.11151	1.0
167.03351	1.9
167.07030	0.3
173.06004	1.8
174.06310	0.4
175.06413	3.4
177.00650	0.6
177.05415	0.4
177.08083	2.4
177.12656	0.8
179.05997	0.6
190.04947	0.9
191.06912	0.3
193.07588	2.5
203.06975	1.7
205.07532	7.3
205.12219	1.7
215.01587	0.3
223.06119	1.0
223.08603	21.8
223.13226	1.4
223.16933	0.6
225.04279	0.9
227.02321	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0559
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96980	0.9
55.05488	0.8
56.96547	3.1
57.03420	0.8
58.99855	1.8
61.02903	1.7
69.07085	1.1
70.06588	5.0
70.80596	1.9
70.98092	0.8
72.08138	4.5
73.02899	1.6
74.06073	1.1
81.03405	1.6
82.01439	4.3
83.04951	1.1
84.04508	1.4
84.08125	8.5
84.96033	0.9
85.02857	1.9
86.09705	5.1
88.03949	1.0
95.04955	0.8
97.02867	1.1
98.97566	1.3
100.02457	16.7
101.00883	1.2
107.08603	0.8
110.07136	0.8
113.00842	4.1
115.02450	1.0
116.98648	0.9
118.03506	8.7
119.01873	3.9
123.95457	2.1
129.10199	4.5
130.08640	1.2
131.01880	54.0
132.01987	1.4
133.01611	0.8
133.03445	5.4
136.02397	2.0
137.02965	1.3
142.03497	2.2
144.99802	2.3
147.11281	0.9
149.02969	23.4
151.04544	2.8
154.03459	52.1
155.03561	1.2
156.05016	9.1
158.99658	2.5
159.01331	5.2
161.02911	1.1
164.07024	2.0
168.01399	3.8
172.04515	19.5
173.02927	2.1
174.06114	4.6
174.50272	0.9
175.11867	1.1
175.98592	1.6
177.00740	2.6
177.02394	30.4
177.04977	1.2
182.02940	23.0
183.03052	1.1
192.05571	1.3
195.01775	1.1
195.03441	13.8
197.07710	1.0
200.04001	100.0
201.02463	1.1
201.04192	3.7
205.12299	1.0
211.16451	0.8
218.02950	1.7
218.05055	34.3
219.05284	1.3
223.05740	3.0
223.10829	1.1
223.13202	1.3
225.04230	2.6
236.99019	0.9
238.70528	0.8
241.06412	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1533
Annotation	ar-Bisabol-9-en-7,11-diol
Peak:m/z	Relative Intensity
50.01588	0.8
53.03941	5.3
55.01864	1.5
55.05502	8.6
56.96545	1.4
57.03403	0.8
57.07064	1.4
57.32697	0.7
59.04974	0.6
65.03936	0.8
67.05496	11.3
69.03445	0.6
69.07056	11.6
71.04975	3.4
71.63284	1.1
73.06534	1.6
77.03924	1.0
79.05482	47.1
81.07043	32.3
83.04970	1.7
83.08605	4.7
85.02882	0.8
85.06546	3.8
87.04433	1.2
87.77103	0.5
91.05468	41.8
93.07030	100.0
94.07380	1.3
95.04957	9.7
95.08593	15.6
97.06506	2.7
98.97578	2.2
99.08080	1.1
101.05987	0.8
103.05434	1.8
104.22615	0.6
105.03368	0.9
105.04522	1.8
105.07018	34.6
107.04953	1.3
107.08578	60.4
109.06486	4.5
109.10139	3.2
111.08077	1.8
115.04180	0.7
115.05434	15.7
116.98595	2.3
117.07001	26.3
118.07281	1.0
119.04942	0.8
119.08559	32.2
120.08830	0.6
121.06478	3.6
121.09290	1.3
121.10126	15.7
123.08030	5.3
127.05389	0.9
127.07551	1.3
128.06166	1.0
129.06970	3.0
131.08516	5.5
132.05710	0.8
133.06458	1.1
133.10109	8.9
134.99652	2.8
135.08041	2.8
135.11697	2.4
137.05920	1.0
137.09656	1.4
138.77734	0.6
139.07527	1.6
141.09076	0.7
142.07776	0.8
143.08551	6.0
145.06461	17.7
145.10136	1.4
146.06755	0.9
147.08014	4.9
147.11716	3.6
149.02307	0.9
149.05948	4.6
149.09584	0.8
153.09116	1.2
157.10130	3.4
158.01236	1.8
159.11690	7.0
161.05966	2.5
161.09576	4.8
161.13239	26.9
161.14592	1.3
162.13644	0.7
163.07538	2.8
165.09122	1.9
173.05957	24.5
174.06342	1.1
175.07555	15.5
175.11195	6.2
175.14787	7.0
177.05428	3.5
179.10703	1.7
185.13235	18.4
191.06998	17.0
191.08739	0.7
203.07045	40.5
203.14288	12.6
203.17958	1.5
204.07356	1.5
206.16182	0.9
217.10976	0.6
221.08075	98.3
221.15314	40.7
221.18745	2.3
222.08418	4.8
222.15855	0.7
222.18452	1.4
242.54141	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.153
Annotation	Oblongolide
Peak:m/z	Relative Intensity
52.43913	0.9
53.03938	4.7
55.01869	1.5
55.05499	8.7
56.72538	0.9
56.96538	1.6
57.07046	3.1
59.04982	1.0
65.03908	1.8
67.05493	13.5
69.03403	1.2
69.07050	11.9
69.56763	0.8
71.04980	4.4
71.57413	1.5
73.06551	1.3
78.49744	0.9
79.05475	43.7
81.03401	1.3
81.07037	32.0
83.04951	3.0
83.08587	4.9
85.06506	3.8
91.04885	1.8
91.05460	40.6
93.07021	90.0
94.07391	1.1
95.04943	11.1
95.08584	18.1
97.06498	3.6
97.10150	1.4
98.97547	3.9
103.05440	1.3
105.04489	1.4
105.06282	1.8
105.07001	34.0
106.07362	0.8
107.04919	2.7
107.08569	58.5
109.06488	5.7
109.10133	5.0
111.08060	1.7
113.05983	1.2
115.05427	14.6
116.98586	5.5
117.06993	24.9
117.11616	1.0
119.08554	36.2
121.02879	1.1
121.06465	3.4
121.09284	1.5
121.10114	15.0
123.08015	4.7
123.11704	1.1
127.07535	1.0
128.06219	1.3
129.06985	3.4
131.08542	4.5
133.06436	2.6
133.10114	11.7
134.99603	5.7
135.07982	2.8
135.11670	2.7
137.05952	2.0
137.09596	2.7
139.07529	1.2
143.08546	5.6
145.06470	14.7
145.10106	2.2
147.08009	6.2
147.11658	5.0
149.05946	4.3
149.13184	1.0
151.07600	0.9
153.00720	1.4
153.09081	1.6
157.10077	4.2
158.01221	3.3
159.11679	8.9
160.43098	0.9
161.05908	2.9
161.09573	6.1
161.13217	26.4
163.07533	3.5
165.01753	1.3
165.05476	1.1
165.09039	2.1
173.05949	23.6
175.07527	17.5
175.11064	6.2
175.14778	6.9
176.02307	1.4
177.05392	3.7
179.10588	2.6
179.14316	1.8
185.13213	13.5
191.06952	16.7
203.06989	44.3
203.14236	13.5
203.17914	2.9
204.07355	1.5
206.16171	2.6
221.08040	100.0
221.11684	4.3
221.15298	42.7
221.18736	3.5
222.08342	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	221.1169
Annotation	Aristelegone B
Peak:m/z	Relative Intensity
53.03938	1.7
55.01867	3.2
55.05505	11.8
57.02223	0.7
57.03422	1.9
57.07060	4.2
57.76139	0.8
59.93082	0.8
65.03931	0.7
67.05495	8.0
69.03419	11.6
69.07056	4.0
70.06583	2.3
71.04988	2.2
71.62440	1.0
72.08144	1.8
73.02904	2.5
79.05486	7.1
81.03412	1.5
81.07058	6.4
83.04970	2.5
83.08609	1.7
84.08141	1.4
85.02900	5.7
86.09715	1.6
87.04445	2.5
91.05462	15.2
93.07027	8.3
94.15868	0.8
95.04958	3.3
95.08586	4.6
97.02871	3.5
103.05474	1.1
104.96431	1.1
105.00053	2.3
105.03391	2.3
105.07015	32.2
107.04913	2.7
107.08582	23.9
109.02861	1.0
109.06487	4.1
109.10144	9.3
111.08076	2.9
113.02354	6.5
115.05441	2.3
116.06225	1.2
117.07005	6.4
118.98000	0.9
119.04908	2.3
119.08563	43.2
120.08058	1.7
120.08855	1.2
121.02838	1.5
121.06488	54.5
121.10114	5.0
123.08060	15.6
123.11671	1.7
125.05947	0.8
128.06200	2.2
129.07004	6.2
130.06525	2.6
130.07715	1.2
131.08560	7.7
132.04489	1.0
132.09335	2.2
133.03094	2.5
133.06483	5.7
133.10109	27.6
134.03201	0.8
135.08051	8.0
135.11667	2.7
137.05995	4.5
137.09584	2.8
141.06967	1.0
142.07793	4.8
142.98010	1.2
143.08539	3.2
144.09383	4.3
145.06522	4.4
145.10112	2.6
146.07230	2.5
147.04395	1.4
147.08060	10.1
147.11665	80.3
149.05997	2.1
149.09589	1.5
149.13232	3.7
151.07536	1.0
151.11124	1.8
153.09096	0.8
155.08647	0.8
157.06458	2.2
157.07603	1.0
157.10112	10.5
158.06006	1.9
159.08139	1.1
159.11688	11.8
160.05235	1.4
160.08810	10.4
161.05936	5.2
161.09598	11.4
163.03903	1.5
163.07486	2.2
163.11031	0.8
165.01843	8.5
165.05453	7.3
165.09059	1.6
166.96420	0.9
167.07047	1.2
173.05873	1.0
175.03894	1.2
175.07503	5.2
175.11156	100.0
175.14726	2.8
176.06860	1.2
177.09070	1.1
177.12712	4.5
178.02657	1.1
179.03371	15.0
179.06944	0.8
179.10599	3.4
180.03703	6.6
181.03963	1.2
185.05931	4.7
185.09506	1.5
187.12233	1.9
188.08334	1.1
189.09036	5.4
191.07040	1.6
193.08441	1.1
193.12213	10.0
193.15837	2.3
203.07011	12.7
203.10623	18.7
203.14153	0.9
206.16176	3.0
214.87563	0.8
221.04665	3.7
221.08310	7.0
221.11684	72.4
221.15274	5.0
221.18272	2.2
222.11995	1.1
238.98386	1.5
240.94308	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	221.0919
Annotation	7-hydroxy-L-tryptophan
Peak:m/z	Relative Intensity
55.05499	2.4
56.05035	1.2
56.96555	6.5
57.03415	2.1
57.07073	3.2
60.04524	1.0
61.02900	2.1
67.05491	2.0
69.03423	4.4
69.07049	2.0
70.06300	0.7
70.06587	7.0
71.04974	0.9
71.13385	1.2
71.18611	0.7
72.08148	8.9
73.02913	4.1
74.02444	1.1
79.05470	1.7
81.03397	2.5
81.07025	2.1
82.02933	1.6
83.01311	1.3
83.08598	1.5
84.04475	1.2
84.08145	4.9
84.96012	0.9
85.02890	5.0
86.09692	1.7
87.04417	0.8
90.05553	4.5
91.05413	4.7
91.05932	1.5
93.06993	0.9
94.06549	3.0
95.01328	3.7
95.08598	1.2
97.02873	2.8
98.97559	7.0
99.04432	1.1
101.05993	2.9
103.00626	1.4
105.07010	1.7
107.04923	1.4
107.08590	1.7
109.06523	1.0
109.10136	2.3
110.07163	3.9
110.97528	1.2
111.00801	0.9
111.08073	2.5
112.07585	0.8
112.99126	1.1
115.05448	0.8
116.07077	2.7
116.98608	4.3
117.02068	0.7
119.01896	3.7
119.04924	2.4
119.08584	1.3
120.08093	1.0
121.01659	4.5
121.06474	2.1
123.07996	0.9
127.07044	1.5
128.98637	1.2
129.05449	2.3
129.10233	4.7
130.06514	77.6
131.00114	1.2
131.03539	0.7
131.06805	0.9
132.04440	40.1
132.08051	0.9
133.04834	0.9
133.10088	1.6
134.99643	3.3
135.03172	2.9
135.08002	0.9
136.06187	0.8
137.02921	1.9
137.05963	3.1
137.09616	2.0
139.02678	1.1
141.05501	3.8
143.01811	1.2
145.01578	1.0
146.99640	0.9
147.04375	1.0
148.07632	3.1
149.01245	1.0
153.05807	1.1
153.09071	1.1
156.07687	1.8
156.97493	2.4
157.04900	1.1
157.07597	57.4
158.06000	78.7
158.99644	1.4
159.06395	1.5
159.09157	1.1
161.01074	0.8
161.02940	2.6
163.02744	2.4
165.09117	1.7
173.04797	3.0
174.98476	3.2
175.02740	2.0
175.08655	100.0
175.14777	1.2
176.07080	2.8
176.08905	1.7
179.04059	2.0
179.10641	1.1
185.07109	2.0
185.10066	1.4
186.05460	2.3
189.00635	1.3
191.03923	2.3
191.05849	1.8
191.08527	0.8
193.03783	1.6
193.15858	2.4
198.00319	0.8
198.02454	1.0
198.04395	0.7
200.04431	1.8
203.08141	37.0
203.11000	1.6
204.06601	5.2
204.08313	1.2
206.16208	1.0
216.99615	1.7
219.01735	0.9
221.06958	10.8
221.09212	20.1
221.11908	3.5
221.15411	1.8
221.18190	1.1
235.26291	0.7
237.02690	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0917
Annotation	7-hydroxy-L-tryptophan
Peak:m/z	Relative Intensity
54.81956	0.4
55.05469	0.7
57.07031	1.0
58.52783	0.4
67.05441	0.5
69.03385	0.5
70.06586	2.7
71.18153	0.9
81.07014	0.5
82.02895	1.4
84.08099	0.4
85.02825	0.4
87.14809	0.5
91.05455	0.8
92.92255	0.5
94.06532	3.4
105.06986	0.9
107.08572	0.8
109.06472	0.6
111.08034	0.6
115.05399	0.8
116.07037	1.6
117.07012	0.4
119.08549	0.8
121.06526	0.9
121.10146	0.6
127.07023	1.1
130.06508	41.1
132.04430	31.5
133.10081	0.5
134.05960	0.7
137.09541	0.5
145.06427	0.6
146.05898	0.5
147.06302	1.0
147.09129	0.8
148.07553	1.3
157.07596	19.5
158.05991	65.4
159.06323	0.5
162.05487	0.9
165.09109	0.7
175.08644	100.0
176.07056	2.1
176.08951	0.7
186.05496	1.7
191.06982	0.5
193.15891	0.8
193.55469	0.5
203.08203	1.6
203.10732	0.4
204.06534	5.0
221.09235	35.8
221.15375	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0805
Annotation	CHEBI:69693
Peak:m/z	Relative Intensity
53.03930	1.0
55.01869	6.0
55.05510	5.0
56.83791	0.8
56.96560	1.0
57.03421	1.0
57.07070	4.0
59.04998	0.8
61.64985	0.8
67.05483	3.9
69.03409	4.3
69.07039	2.6
69.96853	2.1
69.97269	2.8
70.06564	1.5
71.04973	3.9
72.08139	1.6
79.05488	5.0
81.03400	1.3
81.07041	7.3
83.04955	3.0
83.08604	1.8
84.08122	2.1
85.02886	3.7
87.04443	1.2
91.05461	13.0
93.07031	4.5
95.04933	2.1
95.08607	4.5
97.02865	2.4
97.06548	1.0
99.38184	0.8
103.05445	1.3
105.03371	7.6
105.07015	12.2
107.04913	8.2
107.08563	7.6
109.06502	2.7
109.10154	5.3
110.07145	1.5
111.04428	1.6
111.08058	2.8
113.02321	1.1
115.05427	3.8
117.07018	5.6
119.04900	1.6
119.08566	15.2
120.08084	1.6
121.02841	2.3
121.06487	8.8
121.10111	3.5
123.04401	1.1
123.08037	3.1
123.11674	1.9
125.06011	1.0
128.06207	1.8
129.06989	6.4
130.06438	1.0
131.04919	1.5
131.08527	2.1
132.04451	1.4
132.05626	1.5
133.02820	2.9
133.06418	3.5
133.10115	6.4
134.99672	1.1
135.08034	3.8
135.11661	3.1
137.05966	3.2
137.09560	2.9
142.07750	1.7
143.08530	2.1
145.06464	2.8
145.10118	1.4
147.04364	4.1
147.08025	20.1
147.11685	11.7
149.02313	8.0
149.05922	1.6
149.09578	1.6
149.13196	1.3
151.03883	11.0
151.11115	1.0
153.09039	1.4
157.06444	2.8
157.10118	2.3
158.06001	2.2
159.08012	1.5
159.11650	2.3
160.05177	4.4
161.02335	1.9
161.05988	5.8
161.09576	5.6
161.13313	2.0
162.03059	1.7
163.07494	2.3
163.11125	1.0
165.01807	4.2
165.05493	1.3
165.09125	2.7
173.05933	3.1
174.03078	2.2
175.03925	1.6
175.07481	15.4
175.08713	1.5
175.11122	11.0
175.14774	3.1
177.09082	6.2
177.12659	1.2
178.06204	1.0
179.03378	2.8
179.07007	1.6
179.10599	2.1
185.06006	1.9
185.13286	1.0
187.08652	5.8
189.09135	1.2
191.07057	1.7
193.08531	4.2
193.15912	1.8
203.07001	40.0
203.10608	4.7
203.14285	1.9
203.17990	1.3
206.16214	3.7
221.04445	3.4
221.08054	100.0
221.11328	13.1
221.15338	6.7
221.18124	3.2
222.08372	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0804
Annotation	2-Acetyl-5,6-dimethoxybenzofuran
Peak:m/z	Relative Intensity
52.32753	0.3
53.03902	0.4
69.15137	0.3
69.84552	1.0
69.84985	1.2
79.05468	0.9
83.01301	0.4
87.40591	0.3
89.11983	0.3
91.05460	6.4
93.07008	0.5
103.05439	1.2
104.06202	0.4
105.03427	0.5
105.07010	5.7
107.04932	0.8
115.05431	14.4
116.06270	0.7
117.06996	21.2
119.04863	0.5
119.08550	1.2
127.05391	0.7
128.06221	0.6
129.06969	0.6
131.04895	0.5
132.05659	0.8
135.08011	0.4
145.06462	15.7
147.08070	2.1
149.05949	4.8
155.05981	0.6
160.05212	0.5
161.05931	1.5
163.06248	0.4
163.07469	1.9
173.05952	28.4
174.06320	0.4
175.07520	16.9
177.05444	3.5
187.47789	0.3
191.06998	13.7
191.08783	0.6
200.47083	0.4
203.06996	47.2
204.07355	0.7
221.08049	100.0
222.08427	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0803
Annotation	2-Acetyl-5,6-dimethoxybenzofuran
Peak:m/z	Relative Intensity
55.01852	0.2
65.03921	0.2
69.03427	0.2
70.59131	0.6
77.03900	0.2
79.05462	0.9
83.01321	0.5
91.05463	8.6
93.07008	0.2
94.50072	0.2
103.05444	1.2
104.06216	0.5
105.03381	0.3
105.06287	0.3
105.07005	6.3
107.04907	0.6
107.08580	0.3
109.50997	0.2
115.05430	17.0
116.06236	0.7
117.06995	24.2
118.07330	0.6
119.04928	0.6
119.08560	1.7
121.06451	0.5
127.05407	0.6
128.06213	0.3
129.06961	0.4
131.04913	0.6
131.46642	0.2
132.05698	1.1
133.06502	0.4
134.03622	0.2
135.07970	0.5
145.06454	17.8
146.06833	0.7
147.08005	2.2
149.05940	5.2
155.04878	0.4
155.06018	0.7
160.05190	0.6
161.05943	2.6
163.07498	2.2
173.05945	32.5
174.06218	0.5
175.07509	18.8
176.07805	0.3
177.05431	4.4
191.06990	16.7
192.07434	0.3
203.06987	52.4
204.07310	1.1
221.08040	100.0
222.08351	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0805
Annotation	2-Acetyl-5,6-dimethoxybenzofuran
Peak:m/z	Relative Intensity
50.37464	0.1
53.03937	0.2
55.01871	0.4
55.05495	0.5
57.07057	0.5
59.94801	0.1
60.08144	0.2
67.05481	0.4
69.03432	0.3
69.07057	0.5
70.39860	0.3
70.40255	0.6
75.64177	0.1
77.03922	0.2
79.05486	1.4
81.07029	0.8
83.01337	0.4
83.05007	0.2
83.08634	0.2
85.02898	0.2
85.77373	0.2
91.05466	7.6
93.07013	1.0
95.04972	0.3
95.08598	0.7
98.97609	0.2
102.04690	0.2
103.05457	1.1
104.06232	0.3
105.03387	0.4
105.07016	6.8
107.04936	0.5
107.08591	0.8
109.02837	0.2
109.06516	0.3
109.10159	0.4
115.05438	14.0
116.06295	0.9
116.98627	0.2
117.07002	21.0
118.07333	0.3
119.04935	0.4
119.08571	2.9
121.02857	0.4
121.06501	0.5
121.10134	0.4
123.08035	0.4
127.05437	0.5
128.06226	0.5
129.06985	0.3
131.01280	0.2
131.04895	0.6
131.08540	0.4
132.05719	0.9
133.06439	0.4
133.10135	0.8
134.99646	0.3
135.08002	0.8
135.11687	0.2
143.04942	0.2
145.06467	15.2
146.06975	0.2
147.08023	2.5
147.11671	0.6
149.05966	4.6
149.13177	0.2
151.07532	0.2
155.04893	0.3
155.05975	0.9
159.11665	0.3
160.05164	0.4
161.05965	2.1
161.09634	0.5
161.13257	1.1
162.06378	0.1
163.07521	2.2
165.09062	0.3
173.05962	24.5
174.06331	0.5
175.07526	16.6
175.11179	0.4
175.14825	0.3
176.07866	0.2
177.05435	3.9
185.13203	0.3
191.07007	17.0
192.07469	0.3
203.07005	46.2
203.14314	0.7
203.17842	0.3
204.07291	0.7
206.16139	0.2
211.90337	0.2
216.35922	0.2
221.08058	100.0
221.15309	1.2
222.08414	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0804
Annotation	2-Acetyl-5,6-dimethoxybenzofuran
Peak:m/z	Relative Intensity
51.02381	0.2
53.03924	0.2
55.01875	0.3
55.05493	0.2
57.07074	0.1
63.02350	0.1
65.03930	0.2
67.01853	0.1
67.05493	0.3
69.03405	0.3
69.07043	0.2
69.98205	0.3
69.98617	0.2
77.03955	0.1
78.04703	0.1
79.05474	1.2
81.07054	0.4
83.01306	0.4
83.04965	0.1
91.05463	7.9
93.07019	0.4
95.04955	0.4
95.08578	0.3
98.20750	0.1
103.05451	0.9
103.95226	0.1
104.06223	0.5
105.03392	0.4
105.07013	6.8
107.04895	0.5
107.08571	0.4
109.02856	0.1
109.06489	0.1
109.10155	0.1
115.05433	16.6
116.06289	0.8
117.06998	23.6
118.07316	0.3
119.04929	0.6
119.08565	1.7
121.02822	0.3
121.06492	0.5
121.10122	0.1
121.67453	0.1
123.08063	0.2
127.05428	0.6
128.06201	0.3
129.06990	0.3
131.04919	0.6
132.05682	0.9
133.06467	0.3
133.10101	0.3
135.04424	0.2
135.08043	0.6
135.11649	0.1
137.05992	0.1
143.04916	0.2
144.05667	0.1
145.06458	16.4
146.03540	0.2
146.06859	0.2
147.04352	0.1
147.08008	2.1
147.11711	0.2
149.02344	0.2
149.05949	5.3
149.69826	0.1
155.04901	0.2
155.06004	0.8
157.07632	0.2
158.01212	0.1
158.03630	0.2
160.05177	0.8
161.05943	2.4
163.07516	2.2
163.11134	0.1
165.05453	0.2
165.09193	0.1
173.05952	27.0
174.06229	0.5
175.07518	18.0
176.07822	0.3
177.05434	4.4
177.12640	0.1
179.07066	0.1
191.06996	17.3
192.07419	0.3
193.15891	0.2
203.06992	47.3
204.07291	0.9
206.05708	0.1
221.08047	100.0
222.08379	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0804
Annotation	2-Acetyl-5,6-dimethoxybenzofuran
Peak:m/z	Relative Intensity
53.03956	0.2
55.01848	0.3
55.05490	0.2
65.03893	0.2
67.05499	0.2
69.03410	0.3
70.88110	0.6
73.51022	0.2
75.62493	0.2
77.03953	0.2
79.05473	1.0
81.07049	0.2
83.01344	0.3
86.36293	0.2
91.05468	6.9
93.07043	0.4
95.05017	0.2
95.08607	0.2
103.05475	1.1
104.06239	0.3
105.03381	0.5
105.07014	6.2
107.04939	0.6
107.08541	0.3
109.10104	0.3
115.05437	14.2
116.06229	0.8
117.07002	21.1
118.07315	0.3
119.04919	0.6
119.08562	1.3
121.02850	0.2
121.06478	0.5
121.10091	0.3
127.05418	0.5
128.06209	0.4
129.63409	0.2
131.04936	0.6
132.05716	1.0
133.06473	0.3
134.03598	0.2
135.04355	0.4
135.08011	0.5
143.04950	0.4
145.06465	15.4
147.08012	2.4
149.05952	5.2
153.25439	0.2
155.04910	0.3
155.06018	0.8
157.07605	0.2
158.03596	0.2
160.05154	0.5
161.05957	2.6
163.07555	1.6
173.05959	25.0
174.06300	0.5
175.07524	16.1
176.07892	0.3
177.05455	3.5
191.07002	16.4
192.07436	0.2
203.07001	46.0
204.07341	0.7
206.16245	0.2
221.08055	100.0
222.08412	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0803
Annotation	2-Acetyl-5,6-dimethoxybenzofuran
Peak:m/z	Relative Intensity
51.02364	0.1
52.15802	0.2
53.03934	0.2
55.01870	0.3
65.03937	0.1
67.71274	0.1
69.03403	0.2
70.89357	0.4
74.99029	0.1
77.03910	0.2
78.04690	0.2
79.05482	1.0
83.01332	0.5
89.03930	0.1
91.05463	6.2
93.07057	0.2
95.04951	0.2
103.05436	1.0
104.06215	0.3
105.03364	0.4
105.07006	5.9
107.04929	0.4
107.08591	0.2
115.05434	14.8
116.06204	0.7
117.06996	20.3
118.07339	0.4
118.42822	0.1
119.04925	0.6
119.08579	1.2
121.02799	0.3
121.06492	0.5
123.08004	0.3
127.05405	0.6
128.06219	0.4
129.06978	0.5
131.04944	0.6
132.05710	0.9
133.06441	0.2
135.04395	0.2
135.08038	0.5
143.04984	0.2
144.05681	0.3
145.06459	15.7
146.03549	0.1
146.06810	0.2
147.08023	2.1
149.05954	5.0
155.04884	0.3
155.06018	0.6
157.06438	0.1
160.05186	0.5
161.05957	2.1
163.07521	1.9
173.05951	26.6
174.06261	0.4
175.07513	16.8
176.07761	0.3
177.05440	3.6
191.06993	16.0
192.07347	0.4
201.06627	0.2
203.06993	46.7
204.07350	0.6
206.16078	0.2
221.08046	100.0
222.08383	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0804
Annotation	2-Acetyl-5,6-dimethoxybenzofuran
Peak:m/z	Relative Intensity
51.02164	0.1
51.02372	0.2
52.21255	0.1
55.01869	0.3
55.05485	0.2
57.07064	0.1
58.78978	0.1
65.03920	0.2
69.03421	0.2
69.97099	0.4
77.03889	0.2
79.05460	0.9
81.07035	0.4
83.01324	0.3
83.92422	0.1
85.50182	0.1
91.05460	6.7
93.07009	0.4
95.04924	0.3
95.08594	0.2
103.05438	1.0
104.06208	0.4
105.03347	0.3
105.07005	6.4
107.04934	0.3
107.08575	0.2
109.06475	0.3
109.10144	0.2
115.05428	14.4
116.06300	0.7
117.06992	20.9
118.07303	0.3
119.04911	0.6
119.08563	1.7
121.02845	0.4
121.06466	0.5
121.10133	0.1
123.08056	0.3
127.05412	0.5
128.06210	0.4
129.06949	0.5
131.04893	0.5
132.05698	1.0
133.06435	0.3
133.10057	0.2
134.99603	0.1
135.04404	0.2
135.07983	0.6
135.11653	0.1
137.06001	0.2
143.04898	0.1
144.05698	0.2
145.06451	15.5
146.03632	0.2
146.06799	0.2
147.08011	1.8
147.11736	0.2
149.02322	0.4
149.05942	4.7
155.04868	0.3
155.06009	0.6
157.07550	0.2
158.03564	0.2
160.05208	0.5
161.05945	2.1
161.13228	0.2
163.07504	2.3
173.05942	25.8
174.06282	0.5
175.07507	16.4
176.07852	0.3
177.05429	4.1
177.08907	0.1
178.06233	0.1
179.07053	0.1
191.06987	16.9
192.07332	0.4
193.15732	0.1
203.06984	47.2
204.07333	1.0
206.16197	0.2
221.08037	100.0
222.08412	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	220.1693
Annotation	Fabianine
Peak:m/z	Relative Intensity
57.07065	0.1
57.12745	0.1
70.09242	0.7
80.04957	0.1
91.05482	0.2
91.89481	0.1
93.07070	0.1
98.20792	0.1
105.07032	0.3
112.90051	0.1
117.84636	0.1
118.06528	7.0
119.07324	0.2
119.08570	0.2
120.08071	0.2
124.08112	0.1
132.08061	2.1
132.08980	0.2
133.08841	1.0
133.09851	0.2
134.09610	0.5
145.10124	0.2
146.09576	1.9
146.10532	0.2
147.10382	0.4
160.11214	0.3
161.11966	0.2
162.09109	4.5
163.09636	0.1
175.07497	0.1
176.10780	3.0
176.14323	23.7
177.11493	1.1
177.14693	0.4
178.12177	0.2
180.03004	0.1
190.12219	2.4
191.13074	0.1
202.15871	0.7
204.14468	0.2
205.15891	0.9
220.16927	100.0
221.17308	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0804
Annotation	2-Acetyl-5,6-dimethoxybenzofuran
Peak:m/z	Relative Intensity
51.67311	0.2
53.03923	0.5
53.73666	0.2
55.01859	0.5
55.05259	0.4
55.05501	4.8
56.96532	0.4
57.03423	0.3
57.07067	1.2
59.11229	0.2
62.01538	0.2
65.03922	0.6
67.05179	0.3
67.05485	1.8
69.03420	0.5
69.07066	1.4
70.05209	0.5
70.05605	0.7
70.06553	0.3
71.04969	1.0
73.06528	0.3
76.21683	0.3
76.93863	0.2
79.05479	2.4
81.03387	0.4
81.07046	3.2
83.04951	0.6
83.08579	0.8
85.02858	0.4
85.06512	1.0
87.04413	0.2
91.05460	8.0
93.07023	2.2
95.04942	0.8
95.08601	2.7
97.06530	0.4
98.20763	0.3
98.97543	0.6
103.05442	1.4
104.44136	0.2
105.03380	0.5
105.06297	0.3
105.07010	9.0
107.04947	1.1
107.08574	2.3
109.06498	1.0
109.10137	1.7
111.08041	0.7
115.05433	14.1
116.06282	0.5
116.98566	0.3
117.06995	20.4
118.07328	0.3
119.04913	0.7
119.07774	0.3
119.08567	4.2
121.02851	1.8
121.06497	1.3
121.10111	2.8
123.04404	0.2
123.08038	1.3
123.11688	0.5
127.05402	0.4
128.02303	0.3
128.06200	0.7
129.06969	0.5
131.04932	0.6
131.08539	0.6
132.05693	0.8
133.06454	0.8
133.10100	1.9
134.99622	0.3
135.04353	0.4
135.08025	1.2
135.11687	1.2
137.02815	0.3
137.05930	0.4
137.09628	1.0
137.13306	0.2
143.08502	0.6
144.05673	0.5
145.06459	14.5
145.10114	0.8
146.31734	0.2
147.04373	0.3
147.08012	2.9
147.11656	1.6
149.02313	22.9
149.05934	4.5
149.09596	0.4
149.13252	0.3
150.02644	0.5
151.11082	0.3
153.09077	0.4
153.36220	0.2
155.04866	0.3
155.05991	0.6
157.10069	0.4
158.05806	0.2
159.04401	0.5
159.11653	0.5
160.05185	0.7
161.05942	2.6
161.08243	0.2
161.09569	0.7
161.13231	1.7
163.07504	2.3
163.11087	0.3
165.05534	0.2
165.07019	0.2
165.09067	1.2
167.03371	0.8
171.08105	0.4
173.05952	23.7
174.06340	0.6
175.07509	15.8
175.11133	0.7
175.14803	1.3
176.08012	0.2
177.05444	3.5
177.09018	0.4
177.12677	0.3
177.14638	0.2
179.10684	0.3
185.13255	0.6
191.06998	16.5
192.07422	0.2
193.12137	0.3
193.15834	0.5
203.06995	43.6
203.10718	1.7
203.14288	1.2
203.17921	1.2
204.07321	0.8
206.16187	0.8
221.08046	100.0
221.15266	4.0
221.17331	1.3
221.19235	1.4
222.08429	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	220.1176
Annotation	Sodium pantothenate
Peak:m/z	Relative Intensity
55.01859	1.6
57.07066	6.3
58.95867	0.6
59.04990	4.9
67.05499	4.9
69.07051	4.0
70.02950	6.2
70.79688	1.9
72.04137	1.1
72.04507	14.2
73.02897	3.3
74.02436	1.1
75.60299	0.6
77.39162	0.6
83.04980	1.3
85.06529	11.4
86.09692	1.1
87.08091	2.2
90.05538	100.0
95.04939	6.8
96.08106	1.9
98.02396	14.4
98.21323	0.7
100.03973	2.5
101.28932	0.7
103.07563	7.7
113.05982	2.6
116.03438	13.1
124.07573	17.4
131.07001	0.8
142.08612	7.6
156.10204	1.2
158.11768	1.9
159.02899	1.1
160.03191	1.1
160.09695	2.9
166.08629	2.4
174.11243	2.7
184.09666	20.1
194.94102	0.6
202.10712	35.5
205.15846	0.7
220.11765	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	219.0648
Annotation	Ancistronaphthoic acid B
Peak:m/z	Relative Intensity
55.78541	0.7
60.72310	0.7
68.16524	1.1
70.00731	3.8
75.58611	0.7
82.29121	0.7
91.05449	1.5
98.21404	1.1
105.07043	0.9
110.25327	0.7
115.05426	9.3
117.06997	29.9
121.06478	1.6
131.04869	1.7
145.06461	55.2
149.05969	3.7
155.05997	0.9
173.05959	64.4
191.03403	1.0
191.07004	15.1
201.05432	100.0
202.05722	2.0
203.14270	0.9
219.06488	67.5
219.17412	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1013
Annotation	Bitalin A
Peak:m/z	Relative Intensity
70.21499	2.1
79.05410	0.6
83.06679	0.4
84.68764	0.4
90.43732	0.5
91.05456	1.3
103.05453	0.5
105.07017	1.2
115.05439	3.1
117.06989	1.3
121.06471	1.9
128.06209	4.9
129.06969	1.8
130.07770	1.0
131.04929	0.6
132.05647	0.6
133.06409	0.9
134.03581	3.2
135.04408	1.3
141.06969	2.8
142.07741	1.4
143.04875	0.9
143.08545	1.5
144.05688	1.1
145.06471	7.8
147.04378	3.1
147.08044	0.7
152.06192	0.6
153.06950	3.3
155.06033	0.4
155.08585	0.7
157.06441	1.3
158.07246	16.9
159.04443	0.6
159.08022	2.4
160.08800	5.4
161.05945	1.2
163.03929	1.0
164.74739	0.5
168.05678	2.1
169.06473	1.5
170.07262	1.3
171.04308	1.4
171.07968	0.8
172.05162	1.4
173.05920	2.9
173.09595	4.4
175.03896	2.4
175.11113	0.9
176.04662	2.4
176.08351	0.5
177.05484	1.5
183.08015	8.2
185.05949	1.9
186.06738	11.3
187.07213	0.7
190.06235	1.0
201.05550	2.6
201.09074	56.1
202.09427	1.2
204.07784	12.3
213.82310	0.5
219.10129	100.0
219.17186	2.1
220.10405	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1335
Annotation	Ser Leu
Peak:m/z	Relative Intensity
51.38026	0.5
55.25172	0.5
59.51737	0.5
60.04515	100.0
70.02953	1.1
70.43600	2.0
71.01324	0.9
72.08148	0.9
74.06048	0.6
75.04458	1.3
86.09689	68.3
87.04426	0.9
87.05583	3.5
90.05548	0.9
98.97593	2.8
101.63577	0.6
103.03915	1.2
116.98569	2.2
119.01893	0.7
121.10140	1.0
126.09178	0.5
128.10683	2.5
131.03355	0.7
132.10181	57.8
134.99612	1.0
138.80534	0.5
145.06483	1.1
154.94215	0.6
155.11693	1.0
158.11751	0.8
159.02882	2.5
172.95288	0.8
173.12836	30.3
201.05473	1.2
201.12300	7.1
203.14258	2.4
219.06796	2.0
219.13368	19.3
219.17398	10.2
220.11771	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.0647
Annotation	Ancistronaphthoic acid B
Peak:m/z	Relative Intensity
50.41909	0.4
55.05496	2.5
57.03421	0.9
67.05486	0.8
67.30148	0.4
69.07047	0.5
69.84829	0.4
71.08600	0.4
79.05475	0.9
81.07027	1.4
82.06563	0.6
83.04945	1.2
83.08595	0.6
85.06505	0.4
91.05451	3.3
93.07014	1.1
95.08582	0.8
100.11237	2.2
103.05467	0.8
105.03410	0.5
105.07013	2.8
107.08577	1.4
109.10100	0.5
111.04407	0.9
111.08076	0.5
115.04655	0.8
115.05421	7.7
116.06123	0.5
117.06992	29.2
119.08548	2.4
121.06468	1.7
121.10113	1.5
129.06979	0.9
130.07776	0.8
131.03421	0.5
131.04886	1.6
131.08505	2.3
133.10118	2.3
134.03619	0.4
135.04396	0.4
135.07964	0.5
135.11641	0.5
141.11443	1.9
141.61629	0.6
144.05643	0.4
145.06458	49.3
145.10091	6.5
147.04396	3.8
147.07994	1.6
147.11661	1.3
149.05956	4.6
155.04875	1.4
155.06029	1.1
157.07593	0.5
159.04369	1.4
159.08078	0.9
159.11635	1.8
160.05156	0.9
161.13231	1.2
163.07497	0.9
163.11125	0.5
173.02452	1.1
173.05949	62.2
173.13254	1.2
174.06462	1.0
175.07372	2.6
175.14905	0.6
182.15399	0.7
183.15904	0.5
187.07550	1.1
189.09015	0.8
191.03366	1.6
191.06990	16.6
199.18021	0.9
201.05424	100.0
201.12709	1.2
201.16415	0.7
202.05754	1.5
203.14285	5.2
210.14862	0.5
219.06482	75.0
219.10062	1.8
219.14104	2.8
219.17377	21.0
220.06889	0.9
220.16983	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.0647
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41909	0.4
55.05496	2.5
57.03421	0.9
67.05486	0.8
67.30148	0.4
69.07047	0.5
69.84829	0.4
71.08600	0.4
79.05475	0.9
81.07027	1.4
82.06563	0.6
83.04945	1.2
83.08595	0.6
85.06505	0.4
91.05451	3.3
93.07014	1.1
95.08582	0.8
100.11237	2.2
103.05467	0.8
105.03410	0.5
105.07013	2.8
107.08577	1.4
109.10100	0.5
111.04407	0.9
111.08076	0.5
115.04655	0.8
115.05421	7.7
116.06123	0.5
117.06992	29.2
119.08548	2.4
121.06468	1.7
121.10113	1.5
129.06979	0.9
130.07776	0.8
131.03421	0.5
131.04886	1.6
131.08505	2.3
133.10118	2.3
134.03619	0.4
135.04396	0.4
135.07964	0.5
135.11641	0.5
141.11443	1.9
141.61629	0.6
144.05643	0.4
145.06458	49.3
145.10091	6.5
147.04396	3.8
147.07994	1.6
147.11661	1.3
149.05956	4.6
155.04875	1.4
155.06029	1.1
157.07593	0.5
159.04369	1.4
159.08078	0.9
159.11635	1.8
160.05156	0.9
161.13231	1.2
163.07497	0.9
163.11125	0.5
173.02452	1.1
173.05949	62.2
173.13254	1.2
174.06462	1.0
175.07372	2.6
175.14905	0.6
182.15399	0.7
183.15904	0.5
187.07550	1.1
189.09015	0.8
191.03366	1.6
191.06990	16.6
199.18021	0.9
201.05424	100.0
201.12709	1.2
201.16415	0.7
202.05754	1.5
203.14285	5.2
210.14862	0.5
219.06482	75.0
219.10062	1.8
219.14104	2.8
219.17377	21.0
220.06889	0.9
220.16983	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.0496
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	3.5
61.02914	20.5
61.43526	0.7
70.17000	2.4
71.01342	30.2
75.04468	47.4
79.69221	0.7
85.62193	0.7
87.04455	13.9
89.02370	6.2
98.21450	1.2
98.97559	1.0
101.05990	1.1
103.03925	56.1
104.98404	0.6
119.08600	1.0
131.03387	12.6
133.10188	0.9
145.06470	1.0
159.02866	100.0
161.04443	1.5
169.83540	0.7
173.05968	1.4
178.81342	0.6
187.02350	9.1
201.05455	2.2
203.14348	3.0
216.09489	0.7
219.04913	13.8
219.06703	1.7
219.17412	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	219.0262
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62936	16.9
70.12786	38.6
70.13178	49.5
74.06084	23.6
83.59196	18.2
86.09654	21.1
102.75218	20.0
133.03394	23.7
192.59323	19.3
219.02654	100.0
219.07152	73.2
219.17404	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	219.0496
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28484	0.8
55.01852	3.7
61.02915	16.7
66.08241	0.8
70.13002	3.1
71.00954	1.1
71.01345	25.4
75.04467	46.5
78.43404	0.7
84.99239	1.1
85.02883	1.2
87.04453	14.1
89.02367	8.2
89.79458	0.7
94.78580	0.9
98.97566	0.9
101.06006	1.1
103.03925	51.5
114.61977	0.8
119.08594	1.1
131.03375	13.5
145.06476	1.8
146.05974	4.7
150.16817	0.7
157.07611	0.8
159.02863	100.0
168.20264	0.8
173.05927	1.8
184.20943	0.8
187.02362	10.7
201.05441	2.9
203.14279	4.4
219.04895	14.0
219.06798	1.8
219.17406	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	219.0262
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55857	13.0
51.19980	13.4
68.00195	12.5
70.12795	26.9
70.13187	32.7
71.37499	12.1
74.06124	13.7
100.35207	12.4
108.63763	11.9
119.01927	25.2
120.08435	12.6
133.03465	39.9
171.04976	17.2
176.17424	12.7
208.19115	13.0
210.15257	15.0
219.02649	44.0
219.07159	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	218.0333
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	4.7
56.16558	1.4
56.96556	8.0
64.18395	1.4
70.00327	2.6
70.00723	3.0
73.08504	1.5
75.85350	1.4
79.63217	1.4
83.04972	4.8
84.05289	2.3
86.34403	1.3
98.97570	100.0
101.00854	4.5
101.05997	1.7
103.85902	1.3
111.04408	5.0
112.04754	5.0
116.98602	94.2
119.01901	11.8
120.01994	1.8
130.05817	2.3
133.03401	8.0
134.99640	61.4
137.02927	2.7
140.00168	6.7
151.04515	2.8
153.00658	8.0
155.06982	1.8
155.39267	1.3
156.04987	1.4
156.07347	11.4
158.01245	17.0
159.05042	1.9
161.02931	6.9
166.87582	1.4
171.04993	7.4
172.01564	2.7
173.02945	4.4
173.08101	1.6
174.08359	11.0
176.02296	5.1
176.05881	3.2
177.00711	25.3
189.06050	5.3
195.01776	16.8
196.04520	2.1
197.00383	1.3
217.93155	1.5
218.11047	9.7
218.21143	1.6
219.01863	9.7
219.07097	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	218.0561
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	8.9
56.96554	7.0
57.07078	3.3
62.44158	2.3
63.92533	2.0
69.07067	4.1
69.83131	11.5
81.07025	1.8
83.04958	2.9
83.08613	9.0
84.05306	3.4
91.05510	2.7
94.04156	5.0
97.10173	2.9
101.89194	1.8
111.04434	3.3
112.04787	3.4
115.05462	10.0
116.06255	16.4
117.07020	3.1
118.04152	2.7
128.06230	2.2
129.05579	2.3
129.06601	6.6
130.07349	5.2
131.04970	2.5
132.07970	2.5
133.02838	2.6
143.04941	3.7
144.05663	16.6
145.06453	4.4
146.03610	5.1
155.07089	2.5
155.52122	14.7
156.07378	7.5
156.17448	100.0
161.02333	7.0
162.08891	2.4
163.03380	3.1
165.60274	2.0
167.02991	7.3
171.04369	16.3
172.05153	27.2
173.05862	6.0
174.03111	27.3
174.08527	6.4
174.54150	7.8
175.06017	3.6
187.07579	4.8
188.07899	6.4
189.01813	14.4
189.05458	3.4
190.08348	16.0
199.17395	1.9
200.04648	67.7
200.20125	9.1
201.05443	8.8
203.05591	5.8
215.07115	5.9
218.05763	83.2
218.07889	18.0
218.11078	7.0
218.19246	3.6
218.21161	11.7
219.06445	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	216.0411
Annotation	3-Chloro-L-tyrosine
Peak:m/z	Relative Intensity
53.06157	0.3
56.13439	0.2
60.59805	0.2
62.92073	0.2
64.59626	0.2
64.85573	0.2
70.16130	0.4
70.16525	0.6
72.21033	0.2
98.20791	0.3
109.19286	0.2
118.04136	0.4
131.04922	0.5
132.05678	0.5
145.02817	8.0
145.03984	0.4
146.03506	0.3
156.01988	1.4
159.04379	1.5
160.05151	0.7
170.03557	0.3
173.02315	6.3
174.03104	14.6
175.03552	0.3
178.02611	0.3
187.03880	5.2
188.04636	1.0
188.07780	0.3
198.03043	0.3
201.01828	4.1
216.04143	100.0
217.04460	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	217.1219
Annotation	4,9-dimethyldodeca-2,4,6,8,10-pentaenedial
Peak:m/z	Relative Intensity
53.03925	3.0
55.01859	5.8
55.05497	24.7
59.04977	2.6
65.03915	1.8
65.73985	0.8
67.05489	9.1
69.03410	6.3
69.07050	1.8
70.17023	1.6
70.17432	4.1
71.01350	1.5
71.60545	0.8
71.81982	1.0
73.02902	2.5
79.05475	24.8
81.07041	51.0
83.04964	44.1
83.08595	1.4
85.06516	1.7
87.04441	3.2
89.02366	3.0
89.06009	12.3
91.05466	12.9
93.07022	12.0
95.04951	7.9
95.08590	2.6
97.06505	5.3
99.04421	4.0
101.05997	16.0
103.05392	2.0
105.07011	14.7
107.04942	4.8
107.08554	3.7
109.06495	36.0
111.04420	64.2
113.05980	6.3
115.05428	2.6
117.06957	2.5
119.04906	1.3
119.08562	11.3
121.06480	100.0
122.06754	1.1
123.04426	1.2
123.08018	3.8
125.06001	1.1
127.07529	31.1
128.06190	5.0
129.05466	17.7
129.06961	9.5
131.08484	4.6
133.06483	5.5
133.10106	4.7
135.04398	8.4
135.08000	5.8
137.05984	4.7
138.45425	1.1
139.01498	0.9
141.06961	3.2
142.07739	7.0
143.08539	12.7
145.10063	4.9
145.69720	1.0
146.07367	1.2
147.06458	1.3
147.08037	6.4
147.11662	8.8
155.06998	71.3
156.07411	1.0
156.09280	6.6
157.06470	2.0
157.10088	19.8
158.07216	2.3
159.08014	2.8
160.08708	1.7
161.05959	2.8
161.09616	2.0
161.13237	3.4
165.06976	2.7
166.07700	5.4
168.76225	0.9
171.08076	2.0
171.11661	21.6
173.08081	60.5
173.09543	5.1
173.13048	1.1
174.08339	1.1
175.07491	1.5
175.11143	17.0
181.10098	8.2
183.08054	1.0
184.08804	3.1
189.05406	1.6
189.09119	1.7
189.12703	15.2
199.03947	1.3
199.09566	5.9
199.11156	43.3
200.11467	1.3
217.04932	3.6
217.10597	44.2
217.12228	73.0
217.15598	2.5
218.10742	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	215.0697
Annotation	4,4'-Dimethylangelicin
Peak:m/z	Relative Intensity
55.93518	0.8
57.07061	0.7
57.93545	0.8
59.98254	0.3
63.73514	0.3
67.05496	0.7
69.03417	0.4
69.07063	0.6
71.36596	0.3
71.36928	0.5
71.94073	0.4
72.93379	0.5
72.93776	7.4
74.09694	0.3
74.59164	0.3
77.03925	0.3
79.05448	0.4
85.73623	0.3
90.94808	1.3
91.05469	5.5
98.98484	0.3
103.05460	2.1
105.07037	0.4
108.95860	0.4
112.96682	0.7
113.96379	12.4
115.05425	3.8
115.96410	0.5
116.06227	5.7
116.97211	2.0
117.07025	2.1
119.04982	0.3
127.05442	1.0
128.06204	48.5
129.06990	50.2
130.07352	0.8
130.97768	0.5
131.04924	3.8
131.08543	8.1
131.97412	8.8
132.00330	0.4
132.95825	0.8
139.01611	1.4
141.06969	1.6
143.51077	0.3
144.05679	7.5
145.06464	8.8
147.00912	0.6
147.08025	8.8
150.96883	2.0
152.51659	0.4
154.99017	0.9
155.04875	0.9
155.06004	5.6
156.05658	2.8
156.51865	0.3
157.01170	0.5
157.06401	1.3
157.07602	4.5
158.01949	1.1
158.03647	0.5
158.07166	0.3
158.51712	1.3
159.00761	0.4
159.08032	35.6
160.08400	0.8
160.51347	0.5
161.02374	0.4
161.05923	0.6
166.51303	0.6
167.02451	0.5
167.52214	12.4
168.02370	1.7
169.02267	0.3
169.06468	0.4
169.10092	0.3
169.52718	1.1
170.02972	0.4
171.04378	3.0
172.05161	7.3
173.02328	1.1
173.05972	6.7
173.52203	1.7
173.98396	0.3
174.03232	0.9
174.06264	0.4
174.53064	0.6
175.07503	1.4
176.52835	0.9
178.02913	0.6
179.03033	2.0
180.52982	1.1
183.03738	0.9
184.05045	0.4
185.02431	0.5
185.54030	4.0
186.04150	0.8
186.06732	0.3
187.07515	100.0
188.07851	2.7
191.97131	0.6
194.04704	1.6
194.54555	18.2
195.04712	3.3
195.54579	1.4
197.09486	0.5
199.03839	0.5
199.07617	0.4
200.04660	12.9
201.09003	0.6
203.07013	7.3
204.07370	0.7
206.05359	3.3
206.55363	0.5
209.98111	0.4
211.11145	0.5
215.06993	99.4
216.07356	2.9
216.12163	0.4
224.08339	0.5
227.07071	0.7
229.08545	0.4
229.12155	0.4
233.07869	0.5
239.10655	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.9825
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05996	0.4
55.60554	0.4
58.82504	0.4
69.74370	3.0
69.74698	0.8
70.06558	0.6
72.93777	4.0
73.14334	0.4
78.24016	0.5
89.45054	0.5
90.90364	47.5
90.94814	2.3
101.45333	0.5
108.91415	3.8
108.95845	0.9
111.09202	0.6
113.96400	2.2
126.92459	0.8
131.92967	25.2
131.97417	2.6
132.95807	2.0
149.94020	100.0
149.96025	2.6
150.96860	4.0
152.36821	0.4
154.99011	0.7
155.97432	0.8
158.89328	0.4
167.95090	13.0
167.97096	2.4
172.95618	24.1
172.97641	1.1
173.95952	0.6
173.98419	2.3
190.96664	3.0
190.98615	0.8
191.01088	0.6
191.97159	1.0
191.99522	2.0
209.98181	1.0
213.18999	0.7
213.98221	0.8
214.10754	2.2
214.21675	0.6
215.01045	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	214.0921
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.5
55.01860	1.2
55.05503	0.8
56.05013	0.6
56.96556	31.4
57.03428	2.5
58.06581	0.8
60.95858	0.5
61.02916	5.6
63.97853	0.4
66.77980	0.4
69.03426	1.6
69.07059	10.0
69.58209	1.0
69.58613	2.7
70.06581	7.1
70.98096	1.6
71.06919	0.9
72.04521	0.4
72.08147	3.3
72.93794	0.5
73.02899	3.4
74.97577	0.8
77.00877	0.7
79.05511	0.6
81.03408	0.6
82.99848	1.4
84.04504	0.8
84.08124	5.2
84.96026	1.8
85.02896	3.5
86.09691	88.4
87.10022	1.1
88.99136	0.7
89.00782	0.6
95.04953	0.7
97.02888	2.0
97.06516	10.8
98.97574	4.5
99.04444	0.6
100.02453	2.3
100.99139	5.0
101.00855	14.6
102.96889	0.8
103.00507	0.5
106.61345	0.4
110.07141	0.7
110.97565	2.9
112.07611	0.5
112.89632	0.6
112.99129	0.9
113.00883	0.5
113.03447	0.9
116.98596	4.3
118.03505	9.8
119.00172	5.1
119.01900	96.9
120.01963	2.4
121.01507	0.7
126.96976	0.5
127.03886	1.6
127.08678	0.7
128.02255	0.6
128.98592	5.0
129.06993	0.9
129.10251	0.6
130.03505	2.6
131.00136	1.5
131.01860	5.7
132.04999	0.4
132.95747	0.7
133.01582	0.9
133.03462	3.0
133.04987	0.4
134.99641	2.1
136.04553	3.4
136.06166	2.1
137.02931	49.5
138.03088	1.3
139.02403	0.5
141.00055	0.6
142.03479	2.8
143.01859	0.8
144.05006	1.7
144.08691	1.6
144.98074	2.8
145.03412	1.4
146.99622	6.9
147.00868	0.7
147.01227	0.7
149.01183	1.4
149.02905	2.7
150.96844	1.5
150.98920	0.7
151.04535	0.9
154.03426	1.4
155.01805	0.7
155.05527	1.1
158.99637	1.3
159.01318	0.8
160.04539	1.5
161.02896	2.5
162.09737	3.6
162.99123	5.4
163.02661	0.9
165.00688	5.5
168.01526	0.7
168.08675	2.0
168.99940	0.6
172.04488	3.7
172.95270	1.2
172.97552	2.0
173.01440	0.7
173.02913	3.3
173.06587	3.0
174.98955	0.7
177.00740	1.0
177.02351	1.3
181.00058	1.1
183.01746	2.5
184.02975	0.8
186.09727	54.9
187.00903	1.1
187.09825	1.2
190.03867	0.9
190.05556	0.5
190.96320	0.6
190.96719	0.8
190.98560	8.4
191.02184	1.0
191.03870	3.6
191.07585	2.3
193.00009	1.1
196.03914	0.5
196.08171	2.1
197.06567	3.3
197.16454	0.6
200.04015	1.1
204.10785	27.8
205.11006	0.7
207.01660	0.6
208.99637	12.0
209.02998	0.4
209.11310	2.1
209.98186	0.5
211.52222	0.6
214.00415	0.7
214.03700	0.8
214.09135	30.8
214.10643	2.5
214.14299	0.9
215.00313	1.5
215.07610	5.9
215.09435	1.0
215.13977	0.5
217.00122	0.5
223.01065	0.6
227.00661	1.8
232.05011	1.9
232.10266	100.0
233.08519	4.4
233.10487	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1847
Annotation	Tectoionol B
Peak:m/z	Relative Intensity
53.03939	1.6
55.01868	4.1
55.05253	1.1
55.05500	12.8
55.58881	0.9
56.96554	1.5
57.03414	1.2
57.07061	3.2
57.54774	0.6
59.04995	1.2
65.03923	0.8
67.05157	1.1
67.05495	13.4
67.05830	1.5
68.46554	0.7
69.03427	3.7
69.07061	21.4
69.56365	5.8
70.06570	2.5
71.04986	13.0
71.08622	1.3
72.08156	1.6
72.93771	1.9
79.05124	0.8
79.05490	9.9
81.03407	1.7
81.07048	26.8
83.04963	2.8
83.08615	11.6
84.08150	0.9
85.02901	1.0
85.06538	6.0
85.10155	1.3
86.06026	0.7
86.09695	1.8
88.07602	4.4
90.90384	0.6
90.94808	1.4
91.05457	5.0
93.07034	24.2
93.30332	0.7
95.04973	4.2
95.08596	37.6
97.02869	1.4
97.06512	3.1
97.10159	8.3
98.97562	0.8
99.04449	0.8
99.08086	30.7
103.05441	0.8
105.07011	4.6
107.04930	2.3
107.08583	41.6
109.02895	2.1
109.06504	1.8
109.10143	28.4
111.04415	2.5
111.08063	15.3
111.11723	1.0
113.06000	0.6
113.09643	4.6
116.98609	1.6
117.06892	1.0
119.08565	2.4
121.06461	1.9
121.10133	57.8
123.04436	1.3
123.08095	1.1
123.11700	4.3
125.06039	0.8
125.09612	7.2
125.13269	1.2
127.03891	4.2
127.07555	0.8
127.11218	1.7
128.06175	1.4
129.05458	1.3
129.06969	2.1
130.96288	0.8
131.08563	1.4
133.10115	1.6
134.99629	1.0
135.08058	1.7
135.11681	21.6
137.13239	9.8
139.03867	0.9
139.07541	1.1
139.11171	2.3
142.07744	2.9
143.08546	1.8
145.10048	1.0
147.11607	0.9
148.97346	2.8
149.09584	1.4
149.13257	6.9
149.94032	2.0
149.96101	2.4
151.03879	2.1
152.04622	1.7
153.09096	1.0
153.12733	6.3
155.06972	1.5
157.10095	4.1
159.11748	1.2
163.07533	1.3
167.07030	1.8
167.08618	2.4
167.10583	1.3
167.97160	2.6
171.08006	1.8
171.11670	1.7
172.97592	1.3
177.16368	100.0
178.16701	1.2
181.05763	0.9
185.09607	3.0
190.06235	2.6
190.98615	1.8
191.00429	0.8
195.06528	19.2
195.08067	0.9
195.10176	1.8
195.13809	1.7
195.17419	25.2
200.06458	0.7
213.03656	0.9
213.09253	7.6
213.11234	2.2
213.12836	2.6
213.16498	8.2
213.18489	20.3
232.99765	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1845
Annotation	Tectoionol B
Peak:m/z	Relative Intensity
52.80391	0.9
52.96185	0.8
53.03928	2.7
53.81427	1.0
55.01852	3.2
55.05500	26.0
55.93506	1.1
56.96551	0.9
57.03409	2.9
57.07065	6.0
59.04984	4.8
65.03926	1.2
67.05164	1.4
67.05495	23.3
68.99801	1.0
69.03406	2.6
69.07056	54.2
70.06571	4.3
71.04980	9.7
71.08624	1.3
71.63002	1.5
72.93774	7.2
73.06524	1.1
77.03881	1.0
79.05476	19.0
81.03391	2.5
81.07042	61.2
82.07350	1.7
83.04962	6.3
83.08601	16.6
85.02889	1.3
85.06058	1.5
85.06528	20.7
86.09673	1.3
88.07622	6.5
90.94810	3.1
91.05460	8.3
93.07025	48.4
94.07350	1.4
95.04948	4.4
95.08591	48.5
96.08904	1.1
97.02850	1.2
97.06511	8.8
97.10154	11.1
99.04431	3.5
99.08071	14.9
105.07005	6.8
107.04941	1.8
107.08573	47.7
108.95815	1.0
109.02845	2.5
109.06480	3.7
109.10137	19.6
111.04413	2.1
111.08057	8.1
111.11681	7.1
113.09620	7.9
113.96402	6.4
115.05415	1.3
117.07013	2.2
119.08571	4.1
121.06444	1.5
121.10125	48.2
123.04427	1.2
123.08028	1.9
123.11676	8.5
125.05966	2.5
125.09588	6.7
125.13258	1.0
127.03877	5.8
127.11138	1.7
128.06215	2.1
129.00674	0.8
129.06940	1.5
131.08528	2.7
131.97418	7.3
133.10098	4.7
135.08031	4.1
135.10670	1.9
135.11668	28.4
136.11909	1.0
137.13239	21.2
139.07521	6.3
139.11150	8.2
140.04584	1.1
141.00006	1.1
141.06982	1.1
142.03413	1.3
142.07713	2.8
143.08514	2.8
147.11639	1.9
148.97357	3.2
149.13234	100.0
149.94026	1.5
149.96031	1.9
150.13528	1.2
151.03915	3.9
151.14795	3.5
152.04643	1.1
153.05452	1.0
153.06860	0.9
153.09062	2.0
153.12715	8.3
154.03499	1.9
154.98975	2.5
156.09285	0.9
157.10104	6.2
159.11691	6.3
167.07062	1.7
167.08537	0.9
167.10544	1.4
167.97119	2.7
169.10080	0.9
171.08047	1.0
171.11606	5.6
172.04550	3.3
177.09094	1.7
177.12779	20.2
177.16353	52.9
181.04825	1.4
184.05013	1.1
185.05916	1.6
185.09514	2.5
185.13216	1.4
185.49042	0.9
188.04678	3.3
190.98676	1.2
195.06494	22.1
195.08203	1.7
195.13777	55.0
195.17419	12.8
196.06769	1.3
198.05176	1.4
203.07053	8.2
213.03729	1.8
213.05460	3.6
213.09097	9.0
213.12691	3.0
213.14612	1.2
213.16325	14.4
213.18454	10.4
231.06462	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	213.1482
Annotation	7-Oxo-11-dodecenoic acid
Peak:m/z	Relative Intensity
51.07593	1.7
53.03944	3.5
55.01857	1.9
55.05501	20.8
56.96566	3.9
57.03436	15.0
57.07063	5.1
65.03941	1.6
67.05498	75.4
69.07065	26.0
70.06583	3.9
71.04980	10.2
71.08634	3.3
71.62338	2.9
72.93774	3.7
79.05049	3.1
79.05483	36.3
81.03418	3.6
81.07047	100.0
83.04977	9.9
83.08608	16.6
85.02876	1.9
85.06538	7.2
87.86646	1.6
88.07616	12.6
89.90643	2.0
90.90379	3.6
90.94816	2.6
91.05465	18.7
93.07035	73.2
95.04951	9.8
95.08595	30.2
97.06525	17.7
97.10174	3.7
99.08078	6.1
105.07024	9.7
105.56893	1.5
107.04986	3.7
107.08583	32.7
109.06512	3.7
109.10174	6.0
111.08113	10.2
113.09608	2.6
114.25034	1.6
117.07014	13.3
119.08563	5.8
121.06467	3.5
121.10132	26.9
123.08029	2.7
125.09659	1.8
127.07594	2.0
129.06995	4.6
131.08548	11.5
133.10126	10.4
135.08012	3.4
135.11684	16.0
139.07527	1.7
143.08534	3.0
145.10117	9.1
147.11719	1.9
149.09682	2.2
149.13249	62.8
149.94025	9.5
149.96024	2.3
151.03902	3.3
153.09076	1.6
157.10156	9.9
159.11678	24.2
167.97145	3.0
171.07899	1.8
171.11658	6.9
172.95656	1.8
177.12756	13.6
177.16278	7.6
179.01985	1.5
184.81935	1.5
185.13255	2.0
195.06512	40.0
195.08218	2.5
195.10184	2.9
195.13780	19.4
195.17534	1.7
213.05504	4.7
213.09300	1.8
213.11125	3.3
213.12790	3.2
213.16391	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	213.1482
Annotation	MKN-003B
Peak:m/z	Relative Intensity
53.03925	4.3
55.01871	4.3
55.05508	23.2
56.96562	30.1
57.03433	13.8
57.07061	9.0
64.90716	2.1
67.05499	74.5
69.07063	36.5
70.06591	3.4
70.10010	5.4
70.10397	6.6
70.98102	2.6
71.04969	10.1
71.08621	6.2
72.93777	4.9
73.06549	2.3
78.76994	2.3
79.05489	44.7
81.07049	100.0
83.04976	9.1
83.08608	21.1
84.08141	3.5
85.06522	5.0
85.10197	2.8
88.07620	16.7
90.90376	3.4
90.94823	5.5
91.05469	19.4
93.07034	64.5
95.04953	8.8
95.08598	31.9
97.06513	16.6
97.10132	5.7
98.21491	3.2
99.04443	2.6
99.08083	10.2
105.07008	9.5
107.07932	3.8
107.08590	36.0
109.10150	10.3
111.08073	10.4
113.19790	1.8
117.07016	7.2
119.08549	3.6
121.06511	2.6
121.10132	24.5
123.11691	3.0
125.06010	2.8
129.07034	3.4
131.08568	10.6
133.10144	8.7
135.08035	4.6
135.11687	14.0
139.11182	4.4
140.99997	2.8
142.06471	2.8
143.08502	3.7
147.11655	4.5
148.97299	4.5
149.13231	60.1
149.94049	12.2
149.96025	3.4
151.06995	3.0
152.04749	2.3
157.10133	6.2
159.11693	17.2
163.10634	3.1
167.08688	2.1
167.97150	6.4
171.11641	3.6
172.11089	3.5
172.97668	4.1
176.09586	13.3
176.59723	4.6
177.09047	2.6
177.12720	7.9
177.16396	9.9
179.11871	5.9
185.10052	4.8
187.60286	2.7
190.98769	4.3
195.06506	49.4
195.13809	9.4
195.17442	4.1
198.05148	2.6
201.11418	4.6
212.62305	2.5
213.11264	3.2
213.12932	4.0
213.16360	13.2
213.23987	10.9
231.08888	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	213.1481
Annotation	MKN-003B
Peak:m/z	Relative Intensity
53.03926	2.0
55.01855	3.2
55.05500	21.9
57.03429	1.9
57.06864	0.6
57.07068	6.5
59.04977	2.6
67.05494	26.8
69.03410	2.5
69.07056	49.2
69.57755	6.0
70.06580	2.5
70.07379	0.8
71.04991	7.1
71.08619	0.8
72.08118	1.2
72.54343	0.7
72.93777	6.4
73.06541	0.8
79.05477	19.5
81.03396	2.5
81.07043	57.8
82.07372	1.2
83.04974	6.5
83.08604	18.6
85.02898	1.2
85.06532	20.6
86.09660	1.0
88.07625	3.6
90.94811	2.9
91.05460	8.5
93.07027	46.5
94.07346	1.2
95.04966	3.9
95.08589	48.4
97.02859	0.8
97.06525	7.3
97.10152	8.6
98.06055	0.7
98.97562	1.4
99.04467	1.8
99.08078	13.3
103.05438	1.1
105.07019	5.4
107.04938	1.7
107.08577	44.9
108.08938	1.2
108.95795	1.2
109.02866	2.3
109.06497	2.1
109.10136	15.6
110.03652	1.0
110.07099	1.1
111.04411	2.1
111.08063	7.4
111.11677	5.5
113.09615	7.4
113.96387	7.0
115.05412	0.9
117.06990	2.8
119.08545	4.3
121.06475	0.7
121.10124	39.3
122.10448	0.8
123.08015	1.4
123.11674	7.3
125.02335	0.7
125.05980	1.5
125.09605	6.7
127.03899	3.8
127.11151	1.7
128.06227	1.6
129.06975	2.7
131.08524	3.1
131.97415	10.0
133.10114	4.5
135.08035	2.7
135.11665	24.8
136.12009	0.9
137.13229	17.8
139.07513	5.9
139.11172	6.8
141.06961	1.0
142.07745	2.9
143.08524	2.8
145.06447	1.1
145.10030	0.8
148.97362	2.1
149.13237	100.0
149.94052	1.2
149.96120	1.3
150.13646	0.8
151.03931	3.6
151.14816	2.4
152.04707	1.0
152.06136	0.8
153.09052	1.8
153.12723	6.1
153.49510	0.9
154.03496	1.0
154.99034	3.0
155.06978	0.8
156.09361	1.2
157.10092	5.3
159.11688	7.1
159.52364	0.7
161.05832	0.7
163.04016	1.9
165.00247	1.8
165.06990	0.8
167.07033	1.7
167.08485	1.5
167.14308	0.8
167.97209	2.3
169.06453	0.8
169.10147	1.4
169.89116	0.8
170.10878	0.7
171.11668	4.9
172.04568	2.2
177.09131	1.4
177.12752	22.3
177.16356	49.1
178.16692	1.0
185.05907	1.5
185.09543	1.9
185.13182	1.6
186.69247	0.7
188.04643	4.4
195.06499	18.1
195.08049	1.3
195.13782	56.0
195.17419	10.6
196.14026	0.9
198.05179	0.8
203.06975	8.9
213.03781	1.2
213.05534	2.4
213.09090	8.1
213.11005	1.3
213.12730	2.2
213.14577	0.9
213.16328	10.8
213.18492	7.1
227.50768	0.8
231.06470	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	213.1482
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15041	0.4
53.03926	0.9
55.01848	0.4
55.05286	0.4
55.05500	4.0
56.96554	0.4
57.07055	1.4
61.98409	0.4
63.48615	0.4
64.94405	0.4
65.03928	0.9
67.05494	20.9
69.03408	0.6
69.07054	7.6
70.06573	0.6
71.04980	1.0
71.06480	1.1
71.08612	2.1
72.93759	0.8
79.05478	21.6
81.03383	1.1
81.07043	43.9
82.07388	0.5
83.04948	1.2
83.08595	3.1
85.02860	0.6
85.06524	1.1
85.10178	0.7
87.04430	0.4
88.07605	2.3
90.94818	0.5
91.05470	5.5
93.03397	0.4
93.07028	33.7
94.07343	0.4
95.04942	1.6
95.08593	15.4
96.08963	0.4
97.06515	2.3
97.10146	0.6
98.06033	0.3
99.08046	1.3
105.06995	1.5
107.04928	1.2
107.08575	23.0
109.02857	0.4
109.06454	1.0
109.10146	2.7
110.03595	0.4
111.04427	1.6
111.08069	1.6
113.09608	1.2
117.06998	1.7
119.08534	1.1
121.06446	0.6
121.10126	10.5
123.11724	0.5
125.05959	3.2
125.09615	0.4
127.03880	1.2
129.06934	0.5
131.08560	1.4
133.10112	1.2
135.08034	0.9
135.11696	2.2
139.07539	1.6
142.07700	0.4
143.08499	0.6
146.99657	0.4
147.11655	0.7
148.97343	0.9
149.13232	100.0
149.94115	0.8
149.96097	0.8
150.13544	1.9
151.03867	0.9
151.11153	0.5
151.14806	1.1
151.79530	0.4
153.09099	1.2
157.10138	1.1
159.11655	4.4
167.14360	0.9
167.97139	0.9
170.05850	0.5
171.11659	0.7
172.97670	0.5
177.12718	13.1
177.16324	1.8
178.13057	0.6
190.08961	0.4
190.98784	0.5
195.06490	6.7
195.11957	0.9
195.13783	15.6
213.03871	0.6
213.09062	1.1
213.12772	0.8
213.14743	1.4
213.16278	2.3
213.18239	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1481
Annotation	6-epi-7-Iso-cucurbic acid
Peak:m/z	Relative Intensity
53.03923	1.1
53.74965	0.5
55.01849	0.7
55.05492	4.6
57.07051	1.8
65.03903	1.0
67.05492	18.7
69.03400	0.6
69.07056	7.8
69.40578	4.7
71.04977	1.4
71.08607	2.0
79.05477	20.2
81.03406	1.0
81.07041	42.0
83.04973	1.1
83.08607	3.8
85.06518	1.3
85.29512	0.5
85.90194	0.5
87.04446	0.5
88.07631	1.2
88.11206	0.5
91.05452	3.9
93.07024	30.0
95.04942	1.7
95.08585	13.1
97.06509	2.5
98.06035	1.2
98.20730	0.9
99.08052	1.2
100.11262	1.0
105.06997	2.0
107.04919	0.5
107.08572	21.9
109.10149	2.7
111.04419	2.1
111.08055	1.2
117.06998	1.0
119.08577	1.0
121.06505	0.8
121.09294	0.9
121.10116	10.0
123.11721	0.6
125.06000	3.1
127.03873	0.9
128.40887	0.5
131.08522	1.4
133.10118	1.4
135.07950	0.9
135.11667	2.1
139.07498	1.4
141.11490	1.0
142.07785	0.6
143.11049	0.5
149.13226	100.0
149.94028	0.6
149.95981	0.6
150.13580	2.1
151.03976	0.5
151.11151	0.6
151.14851	1.2
153.09059	0.7
157.10104	0.8
159.11650	3.9
163.07437	0.5
167.14304	0.8
170.15320	0.9
177.12711	14.2
178.13062	0.6
182.15439	0.7
190.98692	0.6
195.06487	4.8
195.11978	0.8
195.13771	16.1
196.09492	0.6
198.05121	0.5
199.17996	1.0
213.09070	1.7
213.10896	0.8
213.14758	1.7
213.16357	1.7
214.18025	0.9
227.27257	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1483
Annotation	(-)-Helicascolide A
Peak:m/z	Relative Intensity
53.03932	1.6
55.01867	9.5
55.05504	40.6
57.03417	0.7
57.07058	1.4
59.04995	1.0
65.71047	0.7
65.84098	0.6
67.05163	1.1
67.05495	16.2
69.03413	5.0
69.07059	7.5
71.04983	41.3
79.05487	12.3
81.06570	1.1
81.07046	20.9
83.04964	3.2
83.08138	1.7
83.08608	29.3
85.06525	5.2
87.04462	6.8
91.05476	3.6
93.07034	10.8
95.04946	1.7
95.08595	7.7
97.06522	62.3
97.10159	40.1
98.06035	1.4
98.10443	0.8
101.09653	1.5
105.07002	2.4
107.08578	14.3
109.06471	1.1
109.10142	11.8
110.45760	0.7
111.08057	2.2
113.05997	1.2
117.06989	3.5
119.08569	1.3
121.06493	1.1
121.10129	2.3
123.07944	1.2
125.08738	1.4
125.09617	24.0
127.03936	1.3
131.08521	2.7
133.10158	3.9
135.08009	2.8
135.11684	4.9
139.07497	1.0
147.11684	1.5
149.09564	1.3
149.13245	4.5
153.09062	1.2
157.10155	1.2
159.11639	2.5
167.14340	1.0
167.43661	0.8
177.12697	5.0
177.16309	1.2
189.11226	6.3
192.29449	0.7
195.06485	4.8
195.13791	37.2
213.14819	100.0
214.15178	1.3
214.17950	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1481
Annotation	6-epi-7-Iso-cucurbic acid
Peak:m/z	Relative Intensity
51.79293	1.0
53.03930	3.8
55.01847	1.7
55.05491	7.6
57.03420	1.3
57.07054	3.0
57.53663	0.9
58.31029	1.1
64.27043	1.0
67.05491	22.8
67.05856	1.2
67.42756	1.0
68.99768	1.5
69.03415	1.6
69.06714	1.1
69.07059	13.1
70.06566	3.2
71.04956	2.9
71.08621	2.2
71.63066	1.4
72.93771	2.3
74.96941	0.9
79.05058	1.5
79.05482	23.9
81.03412	10.1
81.06572	2.3
81.07043	44.8
82.04176	1.5
82.07377	1.7
83.04965	2.4
83.08616	7.4
85.02885	1.7
85.06521	2.7
86.06844	0.9
87.00809	1.5
88.07610	7.2
90.94830	1.8
91.05479	5.5
93.06461	2.2
93.07029	33.8
95.04958	9.1
95.08594	17.1
97.06511	5.1
97.10165	1.9
98.09147	1.0
99.04434	2.0
105.04523	1.2
105.06993	4.6
107.04945	3.7
107.08575	25.5
109.02859	7.2
109.06490	2.0
109.10141	4.9
110.03648	8.5
111.04404	2.7
111.08054	3.7
113.09624	1.2
117.07005	1.7
119.08511	1.1
121.10133	12.4
123.04433	6.5
123.08092	1.1
123.11674	1.8
125.02328	2.3
125.05956	3.9
125.09604	1.5
127.03889	13.9
128.06210	1.1
129.06981	2.9
131.08569	2.8
133.10077	1.9
135.08064	1.5
135.11665	3.8
139.07553	2.3
141.06955	2.1
142.07721	5.5
143.08527	2.2
148.94363	0.9
148.97365	2.5
149.09584	2.0
149.13234	100.0
149.94025	3.0
149.96100	1.3
150.13547	2.9
151.03931	7.6
151.14816	1.1
152.04530	1.2
153.09053	2.3
154.05147	1.0
154.06346	1.1
154.07690	1.4
155.07005	1.3
155.08627	1.0
157.10114	6.2
159.11653	4.9
160.47296	1.1
165.05440	1.2
165.06773	1.3
167.06967	1.7
167.10722	1.6
167.14316	1.2
167.97136	3.4
171.07906	1.2
171.11652	2.9
172.95482	1.0
172.97664	1.3
177.09135	1.5
177.12715	15.2
177.16333	3.8
177.32150	1.0
180.09361	1.2
180.90103	1.1
185.09592	3.7
190.98657	1.1
195.06506	30.5
195.10130	1.2
195.13777	16.2
198.05180	1.5
198.06796	1.6
213.03856	20.0
213.05600	1.7
213.07216	1.9
213.09140	19.1
213.11064	1.8
213.12698	3.4
213.16397	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	213.1482
Annotation	3,7-Dimethyl-2,5-octadiene-1,7-diol
Peak:m/z	Relative Intensity
53.03934	0.9
54.58744	0.6
55.05503	15.4
57.03427	1.2
57.07066	8.0
57.27050	0.6
60.65862	0.5
63.48206	0.6
66.31930	0.5
67.05494	4.4
69.03414	0.9
69.07060	2.8
71.04988	1.0
71.23813	1.2
79.05479	3.6
81.07042	5.2
83.04973	8.3
85.06528	5.8
88.07619	1.2
90.19132	0.5
91.05460	3.3
93.07034	12.0
95.04964	1.5
95.08599	13.2
97.06512	5.6
105.07003	3.8
107.04955	1.0
107.08581	17.9
109.06506	4.0
109.10157	2.7
111.04427	100.0
111.08061	3.5
112.04797	0.6
113.05979	1.8
117.07005	1.5
119.08576	1.7
121.06483	2.8
121.10137	3.1
122.02269	0.5
122.07269	0.8
123.08070	1.7
125.05978	29.9
127.07570	3.5
130.07774	1.5
135.08044	13.9
135.08812	0.4
135.11676	24.5
137.13257	2.0
139.07545	4.4
143.07445	0.5
143.08554	1.0
145.10098	16.4
149.59019	0.6
152.08290	0.7
153.12726	6.2
157.10117	1.1
163.11157	26.5
164.11469	0.6
167.17836	0.5
171.11642	0.7
181.12206	66.5
182.12610	1.0
195.06525	2.0
195.13791	4.6
213.14619	2.8
213.16637	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1481
Annotation	7-Oxo-11-dodecenoic acid
Peak:m/z	Relative Intensity
54.67165	1.2
55.01863	2.7
55.05505	17.3
55.58625	1.2
57.03423	9.8
57.07052	6.0
67.05493	81.2
69.07053	24.2
69.87505	7.2
71.04969	5.5
78.53917	1.4
79.05056	2.6
79.05482	35.3
79.71162	1.2
79.93614	1.1
81.03413	2.6
81.07044	100.0
83.04955	10.4
83.08604	22.4
85.06537	4.8
88.07616	1.5
91.05465	23.3
93.07030	68.4
94.07355	1.3
95.04966	6.5
95.08595	27.0
97.06522	15.6
97.10155	2.2
99.08074	4.1
103.84648	1.4
105.07009	7.2
107.08585	33.9
109.06485	2.0
109.10143	4.6
111.08038	7.3
117.06989	9.6
119.08556	3.6
121.06527	2.2
121.10127	16.5
123.08053	1.4
123.11678	3.3
129.06998	2.4
131.08542	11.9
133.10109	15.3
135.08026	3.0
135.11674	20.1
138.11028	1.2
139.11168	1.5
149.09605	3.0
149.13239	54.6
150.13547	1.5
151.11133	1.8
157.10071	1.7
159.11673	21.9
165.60030	1.4
167.14305	1.6
177.12761	11.8
195.06497	5.1
195.13756	12.5
213.05438	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	211.2053
Annotation	9Z,11E-Tetradecadien-1-ol
Peak:m/z	Relative Intensity
55.05257	1.4
55.05503	20.1
56.06043	1.3
56.96548	3.4
57.07067	5.1
65.03938	1.1
67.05494	56.6
69.07056	41.5
70.31738	4.1
71.04989	2.6
71.08609	1.8
71.51138	1.1
74.68671	1.2
79.05474	7.3
81.03437	2.0
81.07043	65.8
83.08602	15.7
85.06535	6.0
86.06035	2.1
86.23699	1.2
87.04487	1.5
91.05447	3.0
93.07047	5.1
94.06503	1.1
95.04950	2.6
95.08589	100.0
97.02878	1.4
97.10161	10.3
97.99186	1.5
98.98462	2.5
99.08078	4.4
105.07009	2.1
107.08601	1.2
109.10137	31.2
111.08100	1.0
111.11707	6.2
116.00220	1.4
119.08559	1.7
123.11669	10.2
133.10127	1.2
135.11621	2.2
137.13214	4.8
137.30106	1.0
138.85381	1.1
146.97377	1.0
147.11688	1.4
151.14781	1.7
166.08607	1.2
169.99026	1.4
193.12317	2.0
205.98743	2.8
211.11102	1.3
211.14819	2.9
211.16898	1.5
211.20557	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	211.1688
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25024	1.1
53.03933	1.3
55.05297	1.0
55.05500	11.8
57.07053	4.4
59.04982	3.6
62.83487	1.1
65.03922	1.3
67.05494	30.5
69.03416	11.2
69.07056	14.2
69.45420	5.5
69.45851	4.1
71.04974	4.2
71.08628	1.5
76.73467	1.1
79.05482	6.2
81.07037	30.3
83.04968	12.2
83.08611	10.9
85.06509	5.4
87.08109	1.4
91.05454	5.3
93.07038	10.3
95.04957	3.0
95.08586	40.2
97.06506	1.7
97.10162	2.5
98.20731	2.5
99.08059	4.9
105.07025	5.6
107.08571	25.7
109.06481	13.5
109.10135	100.0
110.10450	2.1
111.08054	4.2
113.09646	1.7
119.07767	2.3
119.08555	24.4
121.03733	1.1
121.10112	14.8
123.08035	15.0
123.11684	10.6
125.09612	2.4
133.10107	21.1
135.11664	71.6
137.09598	19.2
139.11217	2.2
144.13626	1.3
147.11653	2.9
149.13219	4.1
151.11171	10.3
151.14801	12.5
153.12712	2.8
162.21431	1.2
165.16350	4.0
175.14801	27.7
192.33710	1.2
193.12210	1.6
193.15843	24.5
211.16829	8.0
228.24870	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1689
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
51.67199	1.3
55.05500	14.3
56.96531	2.1
57.03416	1.9
57.07056	5.2
59.04975	2.9
64.45216	1.3
67.05158	1.9
67.05495	24.5
69.03420	10.4
69.07053	16.5
70.82552	3.6
71.04964	3.9
79.05484	11.4
81.03419	1.5
81.07043	24.5
83.04959	11.8
83.08607	9.1
85.06511	6.6
87.05652	1.4
91.05494	8.0
93.07034	14.5
95.04939	4.7
95.08596	31.8
97.06512	5.0
97.10123	1.6
99.08082	4.3
105.07018	12.2
107.08573	25.9
109.06514	13.7
109.10136	100.0
111.08041	3.1
113.09644	1.9
119.08569	23.5
121.06497	4.8
121.10110	11.3
123.08051	15.0
123.11715	10.2
125.05983	3.0
125.09645	8.0
131.08490	1.8
133.10112	21.7
135.11668	67.8
137.09602	18.0
139.11157	3.3
141.97881	1.4
147.11668	8.3
149.13229	5.3
151.07507	4.5
151.10126	1.9
151.11134	9.6
151.14824	13.7
153.12726	3.0
165.12781	3.7
165.16412	1.7
175.11255	8.2
175.14787	26.9
193.12213	10.4
193.15851	27.8
193.17606	1.9
211.13333	8.0
211.16913	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	211.1688
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03908	1.7
53.21833	0.9
54.23729	0.9
55.01857	1.7
55.05502	16.4
56.17480	0.9
56.96565	7.6
57.03415	2.1
57.07049	3.9
59.04977	2.7
67.05493	25.2
69.03413	9.4
69.05604	0.9
69.06713	1.3
69.07056	18.7
70.38037	2.4
70.38436	1.7
71.04970	4.4
73.96630	0.9
79.05472	9.1
81.03391	3.9
81.07043	30.5
83.04963	13.7
83.08598	10.8
84.08115	1.0
84.96028	1.4
85.02874	1.2
85.06521	4.6
91.05450	6.7
93.07018	14.3
95.04946	6.3
95.08591	37.4
97.06507	3.9
97.10152	2.7
97.99160	2.4
98.06059	1.2
99.08082	6.1
105.06999	11.3
107.04919	1.3
107.08575	21.8
109.06495	13.7
109.10135	100.0
111.08075	4.8
113.09652	2.0
114.69021	0.9
117.57585	1.0
119.08556	25.2
121.06498	2.2
121.10132	11.4
123.04436	1.0
123.08047	14.2
123.11691	9.5
125.05962	1.2
125.09586	1.7
127.11119	1.1
128.66837	0.9
133.06517	1.3
133.10114	20.8
135.08102	1.1
135.11667	67.5
137.05984	1.1
137.08629	1.7
137.09579	17.1
139.11122	2.3
147.11650	9.1
149.13231	4.5
151.07518	3.5
151.11169	12.0
151.14787	13.4
153.12679	2.7
155.10686	1.2
157.10144	2.2
165.12692	2.2
165.16383	2.7
167.07034	1.2
169.02686	1.1
175.11160	3.8
175.14796	23.5
193.12186	7.4
193.15858	24.6
211.11186	3.0
211.13225	3.8
211.14963	2.0
211.16902	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	211.1689
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
51.02370	0.7
53.03934	3.4
53.45322	0.8
55.01863	3.9
55.05502	27.4
56.96556	7.0
57.03428	4.4
57.06823	0.9
57.07067	9.6
59.04980	3.0
65.03922	2.4
67.05495	54.0
69.03420	12.1
69.07055	32.8
70.08372	3.4
70.08801	1.4
70.59870	0.8
71.04977	7.1
71.08628	4.6
73.02899	0.8
73.06537	1.3
79.05480	44.7
81.03404	24.1
81.07044	83.3
82.07362	1.3
83.04970	24.6
83.08606	18.0
84.08099	0.8
84.96011	1.3
85.02889	1.8
85.06528	12.6
85.69706	0.7
87.08095	1.2
91.05466	20.6
93.07027	22.6
95.04956	20.2
95.08591	54.7
97.02882	1.7
97.06522	9.1
97.10140	4.9
97.99153	1.7
98.20814	1.0
99.04433	1.8
99.08067	6.6
105.03365	2.7
105.07016	25.8
107.04942	6.0
107.08576	31.7
109.06504	40.1
109.10139	100.0
110.10451	1.1
111.04430	2.2
111.08073	7.7
111.08768	1.1
113.06030	1.0
113.09620	2.4
116.00175	1.4
117.06979	2.2
119.04930	1.1
119.08566	34.2
121.10126	19.7
123.04412	20.9
123.05293	1.2
123.08050	21.7
123.11687	32.5
125.05984	12.7
125.09597	3.4
127.07542	1.9
127.11112	1.4
129.06978	4.5
130.30898	0.9
131.08502	4.9
133.06467	2.9
133.10109	25.1
135.08043	1.2
135.11674	66.4
136.07529	1.0
136.11990	1.3
137.05949	3.0
137.09599	16.4
137.13237	2.3
139.11143	1.9
141.05458	1.1
141.09224	0.9
145.10075	1.6
147.08003	2.2
147.11664	37.8
148.12088	0.9
149.09581	3.4
149.13257	5.1
151.03793	1.0
151.07504	3.0
151.11160	13.2
151.14792	12.0
153.12720	3.4
155.08501	1.5
155.10567	1.1
157.10091	5.6
163.97708	1.0
165.05328	0.9
165.09052	2.0
165.12714	9.6
165.16322	4.9
169.10089	1.2
175.11176	10.2
175.14798	23.7
176.15219	0.8
183.11517	1.1
193.12216	88.8
193.15848	23.6
194.12569	2.0
194.20686	0.8
206.28671	0.8
211.07600	1.1
211.11230	1.8
211.13123	12.8
211.14868	3.3
211.16956	4.7
230.10918	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1324
Annotation	Ieodomycin B
Peak:m/z	Relative Intensity
53.03938	6.3
55.01854	12.3
55.05502	37.5
56.24657	2.9
56.96555	54.5
57.03415	7.9
57.07051	6.0
57.98532	2.3
58.53769	2.9
59.05003	3.5
65.03922	5.8
67.05495	79.1
69.03421	9.4
69.07056	28.6
71.04987	16.4
71.57246	5.9
71.57613	3.1
79.05478	71.6
81.03408	18.6
81.07047	88.5
83.04969	35.8
83.08617	18.6
84.96026	10.5
85.02894	7.8
85.06534	8.3
87.04461	11.7
89.93270	2.8
91.05463	82.4
93.07028	51.7
95.04352	6.6
95.04955	100.0
95.08582	54.5
97.02862	4.0
97.06522	18.7
97.10210	3.4
97.99162	15.4
98.06035	3.6
99.04436	6.2
99.08070	7.2
101.02373	6.3
102.31850	2.4
105.07014	69.5
107.04910	18.4
107.08578	53.0
109.06499	33.2
109.10125	20.3
111.04458	15.4
111.08043	7.3
113.06020	8.2
116.00201	19.8
117.07000	12.9
119.08572	40.2
119.95714	3.1
121.10103	15.5
123.04430	4.1
123.08065	11.3
123.11709	19.7
125.09620	9.9
127.07557	2.9
129.07001	30.4
131.08539	24.2
133.06487	11.6
133.10110	60.1
134.01285	2.8
135.08029	30.0
135.11678	12.6
137.05957	5.5
137.09592	7.8
139.01764	6.1
141.06931	7.1
142.07751	8.6
145.10149	5.7
147.07977	3.6
147.11671	49.4
149.09581	18.0
151.07494	3.4
151.11172	34.5
151.12303	3.8
153.12770	3.4
155.08517	8.7
157.10086	20.7
163.97713	4.2
165.12740	26.2
169.10097	16.9
175.11168	36.3
175.14708	5.9
181.98772	4.7
183.11670	6.0
193.08614	4.2
193.12221	46.0
193.15826	5.8
200.19019	3.1
211.07542	4.6
211.11200	5.1
211.12949	28.0
211.15117	21.7
211.16769	5.4
211.22523	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	211.1326
Annotation	Libanotic acid
Peak:m/z	Relative Intensity
53.03936	5.6
55.01856	3.5
55.05499	18.3
56.96561	13.3
57.03420	6.4
57.07066	3.3
63.16812	1.8
65.03925	6.9
67.05164	3.0
67.05497	47.2
69.03421	5.3
69.07060	36.2
70.80900	1.8
71.04987	9.6
71.08624	10.7
71.14505	4.6
72.03880	2.2
73.02877	2.1
79.05481	90.0
81.03391	6.3
81.07050	38.9
83.04969	13.5
83.08604	8.6
84.96017	2.8
85.02889	2.9
85.06535	4.9
91.05469	70.7
93.03378	8.7
93.07027	57.8
95.04948	21.3
95.08599	16.2
97.02847	3.1
97.06532	12.2
97.99173	5.6
99.04441	2.7
99.08077	18.4
105.03371	6.4
105.07011	63.9
107.04941	5.1
107.08573	14.0
109.05221	1.9
109.06491	8.5
109.10149	9.5
111.04422	46.3
111.08064	7.0
116.00205	3.7
117.06998	4.1
119.04926	9.9
119.07780	2.6
119.08558	32.3
121.06488	6.1
121.10130	6.3
123.03542	3.6
123.04414	51.6
123.08073	6.1
123.11674	5.5
125.05980	27.0
125.09577	3.4
127.78154	2.0
128.06270	2.5
129.06987	8.4
131.08530	5.5
133.06470	18.4
133.10114	11.1
135.07961	1.8
135.11670	5.4
137.05956	70.2
137.09583	5.1
137.13275	2.3
139.07520	13.0
142.07771	2.8
145.10114	2.5
147.08044	6.0
147.11664	100.0
151.07527	19.0
151.11185	3.4
155.08589	1.8
157.10114	14.2
165.09071	3.5
165.12729	10.7
169.10167	2.5
175.11159	99.5
175.14734	2.9
189.00700	2.1
193.10474	1.6
193.12210	41.7
193.15907	3.4
205.98735	2.4
211.13190	41.4
211.16853	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	211.1326
Annotation	Libanotic acid
Peak:m/z	Relative Intensity
53.03938	3.4
55.01867	11.0
55.05504	20.9
56.22175	1.1
56.96556	5.1
57.03428	7.0
57.07057	4.3
59.04989	2.3
65.03952	2.2
67.05496	35.9
69.03418	8.2
69.07059	34.2
70.21836	4.4
71.04983	16.1
72.20164	1.1
73.06548	1.9
77.03898	1.3
79.05484	43.5
81.03412	4.8
81.07047	94.4
83.04969	34.9
83.08598	7.2
85.02888	2.7
85.06532	19.6
85.07008	2.1
87.04434	1.9
91.05470	39.3
93.07031	85.9
95.04955	42.8
95.08596	49.2
97.02916	1.8
97.06517	60.8
97.10141	1.5
97.99187	1.7
99.04447	15.5
99.08080	9.5
101.06006	2.0
103.05435	1.1
105.07018	92.9
105.64079	1.1
106.07347	1.4
107.04951	3.3
107.08582	63.9
108.08910	1.2
109.06506	16.7
109.10148	20.3
111.04418	7.4
111.08067	36.9
113.05980	6.1
115.03917	2.0
115.05449	1.7
115.07561	1.8
116.00199	1.6
117.07008	3.7
119.04958	1.6
119.08566	47.3
120.08917	1.3
121.06480	12.2
121.10130	17.2
123.04427	2.8
123.08047	11.6
123.11687	29.1
125.05996	8.7
125.09635	3.5
127.03889	1.2
127.07550	3.9
128.07150	1.1
129.06982	5.1
131.08556	12.5
133.06494	6.2
133.10115	72.9
135.08037	22.2
135.11670	7.8
137.05963	5.0
137.09589	5.9
137.13239	4.2
139.07494	1.8
141.09068	1.3
142.06857	1.1
142.07756	6.4
145.10124	4.1
147.08015	5.6
147.11664	100.0
148.12012	1.8
149.09579	12.7
149.13264	4.6
151.07521	7.2
151.11154	27.3
153.09116	8.7
153.12759	2.2
155.08553	1.6
155.10541	2.0
157.10120	20.4
160.08842	1.5
163.11220	1.6
165.09048	1.6
165.12744	49.4
167.07043	2.9
167.08475	1.3
167.10728	1.6
169.10097	2.4
169.10681	1.6
169.12221	32.5
175.11163	57.7
175.14754	4.7
179.06978	2.6
180.98050	1.0
181.12155	1.3
188.42850	1.1
193.08604	2.0
193.12225	52.2
193.15889	4.0
211.07590	1.9
211.11267	1.0
211.13216	32.3
211.16910	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	211.1326
Annotation	Ieodomycin B
Peak:m/z	Relative Intensity
51.02371	0.6
53.03926	3.1
55.01863	4.9
55.05502	18.4
56.96556	4.2
57.03426	5.0
57.07060	8.7
59.04980	2.2
60.47713	0.7
62.23093	0.6
67.05493	43.8
69.03120	0.6
69.03421	6.1
69.07055	21.2
69.74393	4.0
69.74801	1.6
71.04965	5.1
71.08633	3.6
71.08945	0.5
73.02917	0.7
79.05479	41.2
80.05804	0.8
81.03400	19.3
81.07041	81.6
83.04968	16.2
83.08608	13.3
84.08117	1.1
84.96011	1.2
85.02894	1.1
85.06530	11.3
86.09722	0.7
87.04428	0.7
90.88679	0.8
91.05463	21.2
93.07026	17.7
95.04947	19.5
95.08590	41.1
97.02889	1.1
97.06510	8.2
97.10136	1.8
97.99123	1.1
98.21430	1.2
99.04443	1.0
99.08081	4.5
103.05474	0.9
105.03385	2.3
105.07008	25.2
107.04949	4.2
107.07853	1.1
107.08575	20.9
109.06496	33.4
109.10138	45.4
111.04465	1.0
111.08063	5.8
113.06017	0.9
113.09649	1.1
115.05327	0.8
116.00186	1.4
117.06976	1.9
119.08560	26.9
121.06464	1.5
121.10121	12.6
123.04411	22.4
123.05304	1.4
123.08051	15.2
123.11684	36.1
125.05976	9.5
125.09613	2.1
127.03850	0.7
127.07575	0.8
129.06973	2.7
131.08549	5.2
133.06461	1.9
133.10109	14.3
135.08084	1.2
135.11662	27.8
137.05977	4.3
137.09589	10.4
137.13217	1.4
139.11182	1.8
141.05431	1.7
145.09999	1.5
147.08023	1.7
147.11661	36.9
149.09573	2.9
149.13278	3.6
151.07544	3.0
151.11143	7.5
151.14798	4.6
153.12730	1.4
155.08499	0.9
157.10104	4.6
163.97696	0.7
165.05453	1.4
165.09058	2.1
165.12735	8.9
165.16376	3.8
167.07016	1.7
167.10641	0.9
169.10133	1.5
175.11153	10.8
175.14780	10.6
179.07031	1.0
181.10129	1.0
183.11621	1.1
183.78473	0.7
193.12209	100.0
193.15823	11.1
194.12544	1.5
196.12529	0.7
211.07674	1.1
211.09404	1.2
211.11208	1.0
211.13232	13.9
211.14900	1.7
211.16870	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	211.1325
Annotation	Libanotic acid
Peak:m/z	Relative Intensity
51.24316	0.8
51.81218	0.8
53.03941	4.3
55.01855	2.7
55.05500	13.7
56.96283	1.6
56.96553	19.0
57.03415	3.2
57.07054	3.0
65.03911	1.1
67.05492	16.3
69.03403	2.1
69.07056	10.8
70.58929	2.5
71.04987	4.0
71.08614	3.3
72.61768	0.8
79.05478	13.7
81.03398	11.3
81.07044	20.6
83.04955	5.7
83.08598	9.0
84.08144	1.3
84.96030	2.5
85.06551	2.5
91.05467	10.8
93.07039	9.4
95.01315	9.2
95.04963	11.5
95.08591	15.8
95.46925	0.8
97.02877	2.6
97.06521	5.0
97.10152	2.4
97.99174	4.9
99.04458	1.8
99.08081	5.2
105.03374	1.5
105.06383	0.7
105.07011	15.9
107.04896	2.0
107.08571	9.3
109.06495	10.6
109.10145	10.4
111.04419	4.8
111.08022	1.3
116.00214	5.4
119.08569	11.9
121.10125	5.6
121.10876	1.0
123.04414	8.8
123.08043	16.0
123.11649	2.6
129.06993	1.1
131.08582	1.3
133.06468	3.8
133.10106	5.4
134.01154	1.0
135.08043	1.1
135.11674	3.0
137.05966	3.7
137.09587	18.3
141.05443	3.9
141.07021	1.4
147.10481	1.6
147.11659	31.7
149.13248	1.2
150.02531	1.3
151.06404	1.3
151.07527	15.5
151.11159	2.9
152.07938	0.9
155.08571	1.4
157.10052	1.6
163.97722	1.2
164.97916	0.9
165.09085	2.3
165.12726	15.3
167.08444	0.9
168.04407	1.1
169.10072	1.8
175.11148	5.2
175.14835	3.2
177.04874	5.3
179.07018	1.3
179.55157	1.1
183.11597	1.3
188.55727	2.7
193.12210	100.0
193.15860	3.3
194.12619	1.4
205.98759	1.3
211.07623	2.0
211.11189	1.7
211.13029	7.2
211.14839	3.3
211.16933	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	211.1326
Annotation	Libanotic acid
Peak:m/z	Relative Intensity
53.03925	1.1
55.01849	2.8
55.05503	10.6
56.96542	2.6
57.03407	3.4
57.07055	1.3
65.03929	1.5
67.05496	13.2
69.03404	2.2
69.07059	6.8
69.50949	0.8
69.99141	4.5
71.04958	1.3
79.05478	62.7
81.03416	4.2
81.07042	35.7
83.04967	5.2
83.08618	2.1
85.02855	1.3
85.06508	3.3
91.05459	20.5
93.07025	13.1
95.04947	5.3
95.08588	5.3
96.34800	0.9
97.06517	14.7
98.21431	1.1
99.04379	1.2
99.08048	1.8
105.07010	24.4
107.04925	4.3
107.08572	10.0
109.06494	23.9
109.07236	1.3
109.10142	5.3
111.04402	3.4
111.08092	2.1
115.05421	1.2
117.06981	1.5
119.04902	0.9
119.08557	20.8
121.06483	2.7
121.10136	2.8
123.04401	1.7
123.08028	2.8
123.11721	1.4
125.05965	27.8
125.09586	1.7
127.07545	0.9
129.06987	6.2
131.08533	4.4
133.06462	14.7
133.10095	7.5
135.11652	2.3
137.05971	8.8
137.09610	1.2
139.07497	3.5
142.07726	1.7
145.10201	1.0
146.07208	1.1
147.08005	5.1
147.11661	46.6
149.09518	4.1
149.13240	2.1
151.07515	18.5
151.11089	2.2
157.10095	10.5
165.09125	1.0
165.12718	3.6
167.06993	1.8
175.11150	63.9
180.64067	0.8
193.12210	100.0
193.15846	3.2
194.12482	1.4
211.11317	1.3
211.13237	3.2
211.14986	1.0
230.70210	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1325
Annotation	Ieodomycin B
Peak:m/z	Relative Intensity
53.03930	1.8
55.01847	2.6
55.05500	6.0
56.96554	4.5
57.03425	1.4
57.07053	2.3
65.03917	1.4
66.04714	0.6
67.05492	31.6
67.17766	0.6
69.03403	1.9
69.06711	1.0
69.07055	13.6
69.53896	5.8
71.04966	1.2
71.08608	3.0
73.02906	0.7
79.05476	34.8
81.03384	1.3
81.07041	65.5
83.04974	3.7
83.08606	1.4
84.96000	0.8
85.06496	2.1
91.05462	10.5
93.07033	11.2
95.04948	10.5
95.08592	19.9
97.06506	6.1
97.99152	1.7
98.21551	1.2
99.04418	0.8
99.08048	0.8
105.03382	0.9
105.07015	19.4
107.04946	3.3
107.08568	9.3
109.06499	33.6
109.10135	1.7
111.08058	2.9
113.23000	0.6
116.00213	1.0
117.07038	0.9
119.08553	12.3
121.10117	9.4
123.04405	24.5
123.08058	8.2
123.11683	40.0
125.05962	10.0
131.08551	1.1
133.06380	1.0
133.10114	3.6
135.08046	0.8
135.11659	0.8
137.05934	3.2
137.09541	1.2
137.13173	0.9
141.05415	0.9
145.10101	1.2
147.08029	0.9
147.11661	32.5
148.12015	0.7
149.09587	1.6
149.13222	0.8
151.07449	3.6
151.11177	3.5
157.10092	1.3
165.09123	1.3
165.12740	6.4
175.11150	7.5
183.42422	0.7
193.12209	100.0
194.12561	2.5
211.13200	7.7
211.14900	1.1
214.40897	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1325
Annotation	Ieodomycin B
Peak:m/z	Relative Intensity
51.81247	3.7
55.01855	13.2
55.05501	47.5
56.96324	5.0
56.96555	64.1
57.03420	15.7
57.07061	13.2
59.42611	4.5
65.03960	4.2
67.05150	6.8
67.05489	57.4
69.03410	14.7
69.07058	29.6
71.04975	11.1
71.08620	4.8
79.05476	54.4
81.03400	100.0
81.07040	71.5
82.06556	6.4
83.04969	44.7
83.08603	52.6
84.08117	7.1
84.96003	18.9
85.02887	8.2
85.06518	12.8
87.04497	6.2
91.05461	49.5
92.06960	3.8
93.07021	33.4
95.04958	50.5
95.08582	44.7
97.02867	9.3
97.06522	14.0
97.10129	14.5
97.85543	4.1
97.99155	15.7
99.04363	5.1
99.08055	14.4
102.12798	9.7
105.07014	41.7
107.04922	9.1
107.08572	23.5
109.06528	21.4
109.10140	35.9
111.08068	18.2
116.00182	22.3
119.08586	35.1
121.06467	9.2
121.10109	28.6
123.04408	11.7
123.08049	12.8
123.11674	21.0
125.09619	7.7
129.06989	10.5
131.08563	16.1
133.06409	4.1
133.10101	29.5
135.11710	10.8
136.07539	4.3
137.05965	6.7
137.09601	14.1
147.07957	4.4
147.11678	31.3
149.09566	12.9
151.07523	8.1
151.11113	9.2
153.12631	5.0
157.10092	18.6
165.09055	10.0
165.12700	10.7
167.07018	4.1
169.10062	7.1
175.11157	23.6
175.14835	11.3
179.07007	7.9
183.11620	5.5
193.08524	6.4
193.12218	88.9
193.15860	8.5
205.98708	4.8
211.05862	5.8
211.07646	6.7
211.11285	9.2
211.13225	42.1
211.14880	12.4
211.16789	8.2
220.60715	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	209.9564
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33176	3.4
54.45209	3.6
55.98921	3.6
69.54362	6.3
69.54772	23.9
69.63151	4.1
94.92999	72.4
107.02685	3.3
107.98116	3.4
108.01701	4.3
108.51331	3.3
112.89582	62.5
126.34890	3.8
159.06126	7.7
180.01175	12.6
187.05682	6.5
192.92999	41.4
198.02248	8.8
204.44200	3.7
205.06584	4.9
209.95639	100.0
209.97594	9.0
209.99677	4.2
210.89363	43.7
210.94078	20.5
210.97055	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	210.9402
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95817	9.1
53.93253	8.3
54.52649	9.9
55.96100	8.1
56.96535	11.4
57.03418	23.0
65.00259	9.3
71.61951	11.9
73.02892	14.8
74.28365	10.4
85.02895	29.6
94.93010	11.1
97.02872	16.8
98.97577	24.2
107.52285	9.9
109.60398	8.6
110.97581	10.3
112.89600	44.0
113.19019	9.1
116.98598	9.8
128.02307	16.2
128.98573	17.6
146.99542	14.0
158.99684	10.7
161.02831	17.3
166.95055	11.2
170.42461	8.8
177.00647	9.0
189.00668	20.1
191.03828	18.8
210.89313	17.9
210.93983	100.0
219.01654	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	209.1897
Annotation	(-)-Noranthoplone
Peak:m/z	Relative Intensity
53.03929	2.7
55.01865	16.0
55.05262	1.5
55.05504	26.2
57.03426	9.3
57.07067	22.5
63.15877	1.0
67.05497	29.9
69.03123	0.9
69.03421	10.8
69.07062	27.7
71.04981	2.9
71.08620	8.1
71.63152	1.1
79.05480	25.8
81.03408	2.0
81.07050	22.1
83.04969	62.1
83.08602	14.8
83.09054	2.0
85.06528	2.1
85.10179	6.5
91.05476	5.8
93.07030	27.6
95.04937	5.7
95.08591	18.8
97.06510	19.4
97.10159	6.7
99.04471	1.0
99.08052	1.7
103.05467	2.1
105.06996	3.1
106.04163	1.3
107.04922	1.8
107.08586	19.7
109.06493	8.3
109.10142	16.6
111.04456	1.7
111.08060	6.8
111.11697	1.3
113.09621	1.8
117.96024	2.1
119.08547	1.8
121.06459	4.4
121.09313	1.4
121.10135	26.7
123.08060	1.5
123.11659	4.3
125.09587	4.5
131.04912	1.7
131.08522	2.0
133.10118	4.0
135.08018	3.4
135.11685	11.9
139.11314	0.9
145.02802	1.8
145.10027	1.3
147.11655	1.1
148.05115	1.7
149.05919	4.7
149.09573	2.8
149.13266	4.9
151.11179	5.0
153.05469	1.2
153.09111	3.0
159.04347	1.1
163.07523	2.6
163.11122	1.9
163.14836	1.3
167.14342	6.0
167.97409	1.4
173.13239	4.1
177.05446	11.6
179.08577	1.0
181.10086	1.2
181.12079	1.0
181.98805	1.3
191.06989	3.4
191.14230	8.5
191.17921	6.9
194.02046	1.4
194.72090	1.0
201.37822	1.0
209.04379	2.7
209.06067	1.9
209.07759	5.7
209.09764	2.3
209.11456	1.8
209.13297	3.9
209.15341	24.1
209.18973	100.0
210.19241	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1896
Annotation	(-)-Noranthoplone
Peak:m/z	Relative Intensity
53.03934	3.3
54.02777	0.5
55.01871	4.9
55.05502	26.0
57.03419	4.0
57.07069	7.1
58.28169	0.6
61.85884	0.5
62.83430	0.6
65.03930	1.4
67.05495	27.9
69.03414	1.0
69.07059	19.8
70.13517	3.0
71.04984	1.8
71.08614	2.7
79.05482	33.5
81.07048	14.2
83.04969	100.0
83.08611	7.4
85.06515	1.1
85.10174	1.6
91.05474	8.4
93.07030	30.8
95.04946	3.3
95.08593	8.4
97.06515	14.5
97.10166	2.7
98.21507	0.7
105.07021	1.7
107.08581	9.6
109.06503	2.9
109.10138	5.7
111.08063	1.7
113.09650	0.8
119.08470	0.6
121.06573	0.8
121.10127	14.6
123.11701	2.1
123.71259	0.6
125.09627	0.7
131.08571	1.1
133.10159	0.9
135.08031	1.0
135.11667	6.3
135.97028	0.6
149.06004	1.0
149.09662	0.9
149.13245	1.1
149.31868	0.5
151.11160	0.6
153.09065	0.9
163.97755	0.8
165.12755	0.7
167.14304	1.3
173.13287	0.8
177.05519	1.2
179.08623	0.6
187.80742	0.5
191.14342	1.1
209.08080	1.1
209.13457	1.1
209.15402	7.1
209.18974	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	209.1532
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03913	1.4
55.01859	8.5
55.05498	27.0
57.03407	3.6
57.07037	5.3
67.05486	18.3
69.03415	20.3
69.07053	19.4
70.63294	5.4
71.04961	7.1
79.05052	1.8
79.05474	21.9
81.06586	2.7
81.07041	43.5
83.04966	32.0
83.08596	8.2
85.06529	12.7
86.65081	1.5
91.05458	20.1
93.06462	2.5
93.07024	47.3
95.04945	8.1
95.08578	29.7
97.06506	13.6
97.10136	2.6
99.04414	5.6
99.08067	8.3
103.05428	2.0
105.07005	30.5
107.04910	5.8
107.08570	100.0
109.02625	1.5
109.06499	19.2
109.10133	30.6
111.04397	2.1
111.08032	7.9
113.09519	1.4
117.06984	5.0
119.08531	16.9
121.06459	17.4
121.10114	53.5
123.08041	24.2
123.11649	4.1
125.05968	3.6
125.09573	7.7
129.06909	2.0
131.08539	27.4
133.10098	44.4
135.08015	22.6
135.11661	10.7
137.09564	10.2
139.07509	2.6
139.11145	31.0
143.08517	2.4
145.10088	14.3
147.11638	12.8
149.02304	2.8
149.05962	3.8
149.09590	19.3
149.13217	51.7
151.11134	35.7
153.05432	3.2
153.09016	5.5
154.32516	1.7
158.10854	2.0
161.13199	2.4
163.03804	2.2
163.11125	6.7
163.14772	20.5
166.02641	2.2
167.06961	1.8
167.10609	2.9
167.14226	2.5
173.09590	2.3
173.13232	28.3
177.05444	4.2
179.14264	2.4
191.06966	2.1
191.10619	7.0
191.14275	45.2
194.02037	3.6
194.41029	1.5
209.04405	18.5
209.07962	3.0
209.12038	8.6
209.15312	72.5
210.15651	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1532
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03928	2.9
55.01870	6.6
55.05251	1.8
55.05500	22.3
57.03402	2.7
57.07050	5.2
65.03930	2.4
67.05164	1.3
67.05492	17.2
69.03412	18.5
69.06718	1.8
69.07059	25.5
70.13831	6.1
71.04979	10.2
73.73717	1.2
79.05038	2.1
79.05476	22.7
81.03410	2.0
81.06569	2.1
81.07040	37.6
83.04966	30.7
83.08602	8.0
85.06525	10.7
91.05467	19.7
93.03381	1.2
93.07033	42.3
94.68766	1.1
95.04951	12.7
95.08589	31.8
97.06514	12.7
99.04425	3.9
99.08089	6.9
103.05423	2.5
105.06369	1.7
105.07021	26.1
107.04930	8.8
107.08575	100.0
109.06496	20.7
109.10139	24.5
111.04386	2.1
111.08074	5.9
113.05982	1.2
113.09586	1.7
117.07005	3.8
119.08559	19.2
121.05659	1.2
121.06499	18.9
121.10123	51.2
123.04413	1.9
123.08047	24.3
123.11692	4.8
125.05960	3.2
125.09605	16.5
129.06990	2.9
131.08545	27.0
133.10114	34.4
135.08040	21.4
135.11667	11.0
137.09547	6.2
137.13197	1.2
139.07481	3.2
139.11153	20.7
143.08502	1.7
144.09277	1.6
145.10121	16.3
147.08038	2.0
147.11668	10.6
149.05934	4.3
149.09602	25.7
149.13235	48.7
151.11147	29.7
153.05399	1.5
153.09038	7.6
158.10890	3.3
161.13217	3.9
163.07483	2.3
163.11169	15.4
163.14777	18.6
164.06955	1.3
165.09056	2.4
165.12714	3.4
167.10703	6.4
167.14255	3.4
173.09573	2.5
173.13252	29.4
177.05458	3.3
179.14307	2.0
181.08556	1.5
191.06960	2.4
191.10646	11.2
191.14275	51.7
209.08110	2.8
209.11769	15.3
209.15323	69.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1533
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03926	0.5
54.56082	0.4
55.01862	4.3
55.05502	2.6
57.03421	0.6
57.07067	4.9
59.04982	1.1
60.52134	0.4
65.03928	0.5
67.05500	4.5
69.03433	2.2
69.07062	3.8
70.35419	1.8
71.04979	4.0
73.90359	0.4
79.05480	4.7
81.03404	0.7
81.07041	6.5
83.04971	3.7
83.08601	1.9
85.02869	0.7
85.06512	1.2
91.05463	5.6
92.52033	0.4
93.03389	0.4
93.07024	6.4
95.04951	6.3
95.08589	8.1
97.06532	2.2
99.08048	0.6
101.64358	0.4
103.05437	1.3
105.07013	5.3
106.04156	1.2
107.04916	1.4
107.08572	10.5
109.06497	100.0
109.10136	15.0
109.10913	0.6
110.06847	0.9
111.08067	2.2
115.05378	0.5
117.03391	0.4
117.06993	1.5
117.95934	0.6
119.08566	2.4
121.06482	3.8
121.10115	7.9
123.08040	10.5
123.11690	1.2
125.09592	2.7
131.04890	0.5
131.08554	7.3
133.10098	4.2
135.04419	0.5
135.08029	27.7
135.11655	1.5
137.09587	1.1
139.11156	1.6
143.08592	0.5
145.10046	2.8
147.08006	0.9
147.11615	2.0
148.05089	0.5
149.05945	3.8
149.09605	5.0
149.13217	4.0
150.10399	1.6
151.11168	12.9
153.05389	0.6
153.09064	4.8
158.10890	2.0
161.09595	0.9
163.02054	0.7
163.07535	1.0
163.11140	1.8
163.14809	1.8
163.97702	0.5
165.12724	1.9
167.14223	1.2
173.13229	9.2
176.11961	0.7
177.05441	2.9
181.08533	0.7
191.06960	1.4
191.10622	1.5
191.14276	28.6
209.04384	1.0
209.07970	2.0
209.11626	1.0
209.13620	0.7
209.15321	17.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1533
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03933	1.8
55.01864	3.0
55.05494	2.9
57.03432	0.7
57.07062	2.3
59.04984	1.1
65.03911	0.8
67.05491	4.1
69.03416	9.4
69.07056	5.1
69.96145	2.3
71.04979	1.3
79.05478	3.0
81.03405	9.2
81.07047	8.7
82.45501	0.4
83.04955	4.5
83.08600	2.0
84.08148	0.6
85.02875	0.6
85.06522	0.7
91.05468	11.7
93.07024	4.8
95.04951	8.7
95.08591	9.5
97.06524	1.3
97.10146	0.5
98.21381	0.8
99.04449	0.4
99.08066	2.0
103.05457	0.9
105.07013	6.0
106.04144	0.7
107.04933	1.2
107.08577	10.3
109.06496	12.3
109.10123	2.2
111.04453	0.6
111.08045	1.3
117.06997	1.4
119.08570	5.5
120.05664	0.5
121.06458	2.6
121.10128	11.8
123.04400	0.7
123.08053	9.2
123.11684	7.4
123.97369	0.5
125.05932	0.5
125.09614	1.2
131.04958	0.6
131.08524	1.2
133.10065	1.6
135.04401	0.9
135.08040	3.5
135.11710	2.1
135.96954	0.4
136.08963	0.5
137.09579	2.9
137.13213	2.8
139.03929	0.5
145.10066	2.6
147.11647	3.6
149.05974	3.1
149.09608	9.6
149.13223	7.9
151.11150	4.9
153.05434	0.5
153.09070	1.0
163.07570	0.7
163.11086	1.2
163.14766	1.4
165.12723	100.0
166.13000	1.3
167.14287	1.2
173.09743	0.5
173.13217	1.9
177.05489	2.5
181.08592	1.0
185.97400	0.5
191.07014	1.3
191.10667	0.8
191.14270	5.2
202.06206	0.4
209.04405	0.6
209.08002	1.9
209.15324	62.5
210.15689	1.2
223.12955	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1532
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03921	2.6
55.01851	4.2
55.05291	1.3
55.05504	14.4
57.03421	4.0
57.07066	7.9
59.04984	3.1
62.45821	1.4
67.05228	1.4
67.05499	16.0
69.03415	8.4
69.07050	13.1
69.40041	3.2
69.40454	9.7
71.04967	6.2
71.08614	1.8
72.08154	1.6
78.04713	1.9
79.05474	15.2
81.03368	1.6
81.07047	29.7
83.04974	14.3
83.08600	5.1
85.02888	2.4
85.06531	8.1
91.05460	16.9
93.03358	2.5
93.07028	56.7
95.04955	10.9
95.08590	28.5
97.06524	13.4
97.10141	2.9
98.20788	3.1
99.04423	3.5
99.08046	4.1
105.07013	26.5
106.04164	7.4
107.04922	5.1
107.08577	98.7
109.06508	19.9
109.10139	26.8
111.04456	2.6
111.08076	7.5
117.06995	2.6
119.08561	15.8
121.06493	16.0
121.10120	67.1
123.08044	9.8
123.11669	5.3
123.50999	1.5
124.78912	1.4
125.05950	3.3
125.09607	11.4
131.08534	15.2
133.10103	24.6
135.08031	10.4
135.11665	7.8
137.09608	8.1
139.07512	5.6
139.11162	11.1
145.10077	10.3
147.11650	13.5
149.05939	10.7
149.09615	11.1
149.13234	100.0
151.10081	2.4
151.11162	23.8
153.09073	12.4
161.13206	5.0
163.07442	1.6
163.11159	12.7
163.14801	15.2
165.12756	2.2
167.10590	9.8
167.14272	6.1
173.09619	2.0
173.13206	16.7
177.05417	6.4
191.06905	2.2
191.10579	4.2
191.14275	32.9
209.08002	5.3
209.11774	3.8
209.15324	66.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1532
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03935	2.6
55.01854	2.1
55.05503	30.6
55.76854	1.1
57.03406	1.5
57.07061	4.7
59.04993	2.1
61.68837	1.1
63.69370	1.3
67.05489	10.9
69.03403	4.1
69.07063	8.4
71.02222	4.1
71.04976	5.2
74.19178	1.3
79.05479	8.9
81.07037	22.3
83.04969	66.0
83.08605	11.9
85.06516	4.4
91.05450	8.0
93.07028	19.7
95.04951	35.6
95.08585	22.5
97.06521	13.3
97.10133	3.3
99.04433	5.1
99.08068	1.6
105.07006	13.6
107.04929	1.5
107.08583	32.7
109.06497	100.0
109.10134	26.1
110.06847	1.5
111.08067	9.8
113.09619	2.9
116.23859	1.1
117.06944	2.4
119.08575	5.8
121.06467	3.4
121.10120	25.5
123.08048	13.9
123.11692	6.2
125.09609	5.7
131.08528	14.2
133.10107	36.9
133.11072	2.6
135.08031	22.7
135.11667	3.4
137.09630	1.6
139.11165	4.0
143.08549	3.0
145.10107	5.4
147.11667	4.0
149.09612	5.2
149.13237	14.3
150.10489	1.5
151.11163	15.7
153.09090	18.2
158.10846	4.1
163.14824	5.8
167.14294	21.7
173.13226	20.7
191.10661	2.2
191.14270	32.2
209.12064	1.4
209.15332	36.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1169
Annotation	(+)-4,5-Didehydrojasmonic acid
Peak:m/z	Relative Intensity
51.83223	0.8
53.03922	3.4
55.01624	1.3
55.01863	20.4
55.05501	18.8
57.03412	3.4
57.07064	5.8
59.04968	2.1
65.03925	7.6
67.05492	32.4
69.03415	12.2
69.07055	100.0
69.78058	2.4
69.78481	2.4
70.06549	2.2
70.07392	1.0
71.04980	10.7
75.04447	2.5
77.03893	1.5
78.04704	1.5
79.05481	33.1
81.03401	5.7
81.07044	26.2
83.04966	22.2
83.08605	7.2
84.08109	2.0
85.02862	2.7
85.06055	1.0
85.06523	11.6
86.09668	1.2
87.04455	1.0
89.03880	1.9
91.05464	56.0
93.03391	15.1
93.07024	46.7
93.07520	0.7
95.01283	1.0
95.04951	37.8
95.08584	12.6
97.02850	2.7
97.05894	1.6
97.06509	27.4
97.10116	1.7
99.04400	3.7
99.08055	3.1
101.06051	1.2
103.05439	9.7
105.03368	1.4
105.04485	2.2
105.07013	25.7
105.75180	1.0
106.04156	15.1
107.04939	39.5
107.08574	40.8
109.02815	1.3
109.05777	1.4
109.06498	24.4
109.10146	10.8
111.04419	11.7
111.08067	6.5
113.05952	1.0
113.09600	1.3
114.16820	0.8
115.05425	1.0
117.03337	2.3
117.06994	15.9
117.95923	0.8
118.84654	0.8
119.04909	2.0
119.08569	19.6
120.05721	0.9
121.02850	5.5
121.05639	1.8
121.06484	29.9
121.10122	30.0
123.04388	3.4
123.08042	9.5
123.11663	4.8
124.05223	1.0
125.05976	7.1
125.09607	16.8
126.93793	1.1
127.03815	1.1
127.07510	1.3
129.06972	3.4
129.10187	0.9
130.07751	2.5
131.04872	3.4
131.08548	23.2
133.02798	0.8
133.06511	1.3
133.10121	13.0
134.03593	3.1
135.04436	4.7
135.07083	1.2
135.08035	14.8
135.10690	1.0
135.11662	14.2
137.05936	7.4
137.09554	3.7
139.03847	1.8
139.07504	3.4
139.11153	4.0
140.18359	0.9
141.05409	1.1
143.08556	1.9
144.95726	0.8
145.02783	2.3
145.06406	2.5
145.10101	56.4
146.10434	0.8
147.08000	3.6
147.11650	6.1
148.05148	3.1
149.05965	30.4
149.09598	20.6
149.13228	12.1
150.10323	1.2
151.07501	3.6
151.11165	13.2
153.05418	5.4
153.06873	1.0
153.09062	11.7
155.08492	1.6
158.10909	2.0
159.04349	1.2
163.03821	1.1
163.07507	4.2
163.11154	83.3
163.14804	4.5
163.97740	1.1
164.11574	1.7
165.05365	1.1
165.09058	3.0
165.12743	3.0
167.06953	1.6
167.10643	8.1
167.14317	10.5
167.96405	1.1
173.09595	6.3
173.13225	12.3
177.05453	18.8
181.04976	0.9
181.06807	1.0
181.08444	4.7
181.09950	1.4
181.12219	1.0
185.97401	1.6
186.99271	0.8
188.37326	0.9
191.06992	7.8
191.08842	1.8
191.10632	31.7
191.14282	30.1
194.02055	2.0
209.04536	5.3
209.08087	14.2
209.09875	1.8
209.11671	48.5
209.15311	41.2
209.17349	1.4
209.18373	1.1
210.08217	1.0
210.11916	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1169
Annotation	(+)-4,5-Didehydrojasmonic acid
Peak:m/z	Relative Intensity
53.03920	5.4
53.19762	1.3
55.01859	15.4
55.05497	18.0
57.03417	3.9
57.07047	4.3
59.04975	2.6
65.03923	6.4
67.05489	25.3
69.03420	9.2
69.07054	100.0
69.96533	7.8
71.04980	12.5
71.08618	6.8
77.03905	1.7
77.46068	1.3
79.05476	48.0
79.60439	1.2
81.03400	4.3
81.07040	42.1
82.18221	1.2
83.04971	19.3
83.08595	4.7
85.02883	2.1
85.06528	7.2
86.09693	1.4
91.05462	63.3
93.03391	4.4
93.07027	53.1
94.04150	4.9
95.04951	55.2
95.08584	24.5
97.02876	4.1
97.06514	22.3
98.97560	1.9
99.04421	3.8
99.08072	5.9
103.05422	5.3
105.04506	1.6
105.07011	41.7
106.04163	1.8
107.04934	71.7
107.08567	52.2
109.06492	96.5
109.10139	14.4
110.06821	1.4
111.04429	5.0
111.08057	4.4
113.09633	2.3
117.06998	16.4
119.04942	1.3
119.06085	3.3
119.08556	28.1
121.02850	5.3
121.06487	13.9
121.09297	2.3
121.10126	26.1
121.11004	2.0
123.04385	2.5
123.08047	11.8
123.11678	4.4
125.05972	4.2
125.09595	7.4
129.06964	1.9
130.07755	2.0
131.04895	3.0
131.08557	18.2
133.06412	1.8
133.10109	23.5
135.04387	9.2
135.08015	17.5
135.10670	2.0
135.11659	29.9
137.05978	3.1
137.09544	7.9
138.71536	1.2
139.03873	29.1
139.07469	2.7
139.11191	2.4
141.05424	2.9
143.08545	2.2
145.06448	1.7
145.10095	95.2
146.10553	1.8
147.08054	3.1
147.11668	11.1
149.05960	8.2
149.09610	13.4
149.13237	20.4
150.09944	1.3
151.07512	1.7
151.11160	20.0
153.05447	16.1
153.09091	5.9
158.10858	2.7
161.13321	1.6
162.96884	1.9
163.03922	1.9
163.07523	1.9
163.11147	70.5
163.14792	9.7
165.09160	2.1
165.12737	2.7
167.07039	4.1
167.10580	2.1
167.14282	5.8
171.11703	1.4
173.09595	8.2
173.13229	19.5
177.05437	8.3
181.12218	2.3
189.05804	1.9
191.06963	3.2
191.10681	19.7
191.14272	32.2
198.06468	1.7
209.04375	3.1
209.08112	4.5
209.11694	84.9
209.15263	35.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.117
Annotation	Coronafacic acid
Peak:m/z	Relative Intensity
51.02384	1.1
53.03931	5.4
55.01863	16.0
55.05501	17.9
57.03429	5.2
57.07061	5.1
58.13424	0.7
59.04994	2.2
63.97726	0.9
65.03941	3.3
67.05493	17.9
69.03418	11.5
69.07056	13.7
69.35889	8.2
70.06577	1.6
71.04977	10.9
72.04509	0.8
77.03909	1.5
78.04723	0.9
79.05479	40.0
81.03408	8.7
81.07043	30.9
83.01329	1.0
83.04971	21.2
83.08614	4.6
83.80679	0.7
84.08147	2.4
85.02898	1.9
85.06528	6.1
89.03909	1.2
91.05465	51.8
93.03365	1.3
93.07027	52.2
95.04956	20.5
95.08592	17.1
95.09149	1.6
97.02891	1.5
97.06516	15.8
97.10157	0.8
99.04446	3.6
99.08095	2.4
103.05429	7.0
105.04491	1.3
105.07012	36.6
106.04159	4.8
107.04936	12.1
107.08578	56.9
109.02872	2.3
109.06499	32.6
109.10134	15.4
111.04401	4.0
111.08059	5.0
114.53030	0.8
115.05438	5.3
116.06214	1.2
117.03448	0.9
117.06998	18.4
117.95934	1.5
119.04939	1.6
119.08556	19.2
120.05701	0.7
121.06486	30.2
121.10122	38.4
122.07272	4.0
123.04414	8.7
123.08056	10.3
123.11693	1.9
125.05974	11.2
125.09599	5.6
127.11183	2.1
128.06218	1.2
129.07002	2.4
130.07791	6.5
131.04898	2.7
131.08554	8.3
133.06491	4.6
133.10107	43.7
134.03677	1.1
134.07326	1.1
135.04422	5.9
135.08031	46.5
135.11664	16.5
135.96948	0.8
136.74541	0.8
137.05969	9.8
137.09590	57.6
138.09949	0.9
139.07521	3.3
139.11128	5.0
141.05421	4.5
143.08543	2.8
145.02798	1.2
145.06465	4.3
145.10097	33.2
145.11261	1.6
147.04405	1.6
147.08022	3.1
147.11673	4.5
148.05174	1.3
149.05957	25.2
149.07088	1.6
149.09587	20.0
149.13235	12.4
150.05510	1.3
150.06726	2.1
151.07521	5.7
151.11130	8.8
153.05449	9.3
153.06647	1.1
153.09074	7.4
153.12695	1.2
155.07010	2.6
155.08430	1.6
158.07239	1.3
158.10909	1.0
161.05951	1.4
161.09537	1.9
162.06750	1.8
162.96954	0.8
163.03883	0.9
163.07526	22.0
163.11151	71.4
163.14780	4.7
163.97704	2.6
164.11517	1.6
165.09087	17.2
165.12721	7.2
167.07027	4.8
167.14290	4.4
173.09599	11.8
173.13245	9.1
176.08182	1.1
177.05438	9.6
181.08559	2.6
181.12170	6.3
181.98779	1.1
185.97441	2.2
186.99283	0.8
191.07034	7.0
191.10640	100.0
191.14253	14.7
192.10980	1.8
193.04961	0.9
209.04492	3.6
209.06227	1.5
209.08194	10.1
209.11687	59.8
209.15244	24.2
210.11908	0.9
217.83356	0.8
222.45164	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.117
Annotation	Coronafacic acid
Peak:m/z	Relative Intensity
51.02369	1.9
53.03696	3.2
53.03936	45.5
54.31918	2.0
55.01616	2.9
55.01865	47.5
55.05501	41.1
57.03408	4.0
57.07053	8.6
59.04995	5.2
65.03925	9.7
67.05492	93.8
69.03424	16.7
69.07053	24.1
69.95902	9.9
71.04975	13.6
76.77155	1.7
78.04688	2.2
79.05478	68.9
81.03406	100.0
81.07041	86.4
82.03764	1.9
83.04471	3.3
83.04969	58.1
83.08601	22.1
84.08119	2.7
85.02888	5.6
85.06535	10.5
85.94595	1.9
86.09685	2.1
89.03887	3.5
91.05469	50.2
93.03385	4.4
93.07024	73.1
93.10930	1.9
95.04954	62.8
95.08038	2.9
95.08595	35.5
97.02810	2.9
97.06498	21.2
97.10136	6.5
99.04426	8.6
99.08074	5.7
103.05434	15.7
103.64523	1.8
105.03350	3.8
105.04490	2.1
105.07011	35.3
106.04150	9.4
107.04939	48.2
107.08579	60.1
109.02863	2.9
109.06499	43.1
109.10123	25.5
111.04431	24.1
111.08044	15.3
111.84889	1.8
113.06008	3.3
115.05424	4.3
117.03352	4.7
117.07002	24.9
117.95925	3.8
119.04873	2.6
119.08563	26.2
121.06494	38.7
121.10120	70.1
123.04411	3.0
123.08031	14.3
123.11695	13.7
123.97436	3.4
125.05956	6.2
125.09589	12.6
127.07565	2.5
129.06955	7.2
130.07765	4.4
131.04916	17.2
131.08557	19.6
133.10132	12.8
134.03593	5.5
135.04405	7.0
135.08008	18.8
135.11667	33.0
137.05956	4.9
137.09558	10.2
137.13161	2.4
139.07527	5.0
139.11162	3.5
143.08524	3.8
145.02815	4.5
145.06467	21.5
145.10101	54.9
147.08017	2.8
147.11626	9.1
148.05238	2.6
149.05962	37.6
149.08397	4.0
149.09592	75.2
149.13257	17.8
150.10036	2.3
151.11165	29.4
153.05460	5.1
153.06970	4.2
153.09143	10.4
153.12715	9.6
155.08528	18.8
158.07266	3.1
159.04381	5.9
163.07480	5.6
163.11156	43.0
163.14801	6.1
163.97650	4.4
165.12726	76.6
167.08411	2.0
167.10748	2.5
167.14299	30.9
173.09573	36.9
173.13165	11.4
177.05438	61.1
181.08549	4.6
181.12236	7.2
181.98714	3.4
185.97374	2.6
188.08806	2.0
191.06964	8.9
191.10628	34.6
191.14297	19.1
209.04417	5.9
209.08037	18.4
209.09659	3.3
209.11577	19.5
209.15332	80.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1168
Annotation	(+)-4,5-Didehydrojasmonic acid
Peak:m/z	Relative Intensity
53.03939	2.1
55.01860	11.1
55.05500	15.3
56.96554	0.6
57.03416	2.8
57.07059	3.7
59.04997	1.2
65.03922	2.4
67.05492	22.7
68.99770	0.7
69.03416	23.9
69.06701	1.0
69.07053	10.3
70.17948	2.5
71.04979	10.2
71.08613	0.5
73.06528	0.7
77.03885	1.0
79.05476	28.1
80.05807	0.7
81.03411	2.0
81.07042	24.7
82.94877	0.7
83.04967	14.6
83.08601	9.0
84.29322	0.5
85.02877	1.3
85.06524	10.3
87.04443	1.5
89.03896	0.6
91.05461	20.4
93.03385	0.7
93.07024	52.7
94.07903	0.5
95.04954	25.3
95.08585	16.2
97.06514	13.9
97.10151	0.9
99.04433	13.3
99.08066	1.5
101.05977	1.2
103.05443	3.2
105.07011	40.5
106.04147	2.0
107.04935	6.1
107.08573	100.0
108.08887	1.1
109.06498	26.6
109.10130	11.9
111.04424	1.7
111.08063	5.5
113.05980	5.1
113.09619	1.2
115.03913	1.8
115.05441	0.8
116.06158	0.7
117.03345	0.6
117.06999	7.1
119.04903	1.2
119.05962	0.7
119.08557	16.1
120.05800	0.5
121.06486	26.7
121.10114	32.4
123.08056	8.2
123.11694	3.3
123.31813	0.6
125.05980	2.9
125.09612	3.5
127.07549	1.3
129.06999	2.7
129.07803	0.5
130.07756	2.5
131.04913	1.4
131.08559	8.1
133.06471	1.6
133.10107	12.1
135.04375	2.1
135.08023	12.8
135.11661	21.6
137.05930	1.3
137.09587	3.4
139.07512	2.7
139.11162	3.3
143.08516	1.9
145.02887	1.1
145.06491	1.0
145.10097	33.4
146.10432	0.9
147.04318	0.6
147.07021	0.7
147.08043	4.1
147.11649	5.7
148.05151	1.3
148.08760	1.0
149.02304	0.9
149.05956	6.7
149.09590	72.2
149.13223	24.6
151.07516	1.8
151.11151	12.3
153.05434	1.7
153.09077	7.4
153.12779	2.4
153.85674	0.6
155.08528	0.9
158.07217	0.5
158.10832	1.5
161.13173	1.0
163.07455	1.7
163.11150	68.6
163.14787	6.0
163.97665	0.9
164.11449	1.4
165.12767	0.9
166.06189	0.7
167.10617	3.0
167.14291	7.4
173.09593	7.5
173.13226	8.4
177.05463	6.5
179.14281	0.5
181.08530	1.8
181.12126	3.2
186.99261	0.8
191.07016	5.6
191.10635	25.6
191.14259	11.8
193.04979	1.1
194.01941	0.6
199.08557	0.5
204.10417	0.5
209.04407	1.6
209.07994	5.6
209.11731	16.1
209.15309	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	209.117
Annotation	(+)-4,5-Didehydrojasmonic acid
Peak:m/z	Relative Intensity
53.03927	0.9
55.01866	11.7
55.05502	25.2
56.96557	0.6
57.03424	1.3
57.07066	2.0
57.67416	0.4
59.05001	4.2
60.05635	0.5
60.27066	0.4
65.03927	4.5
67.05495	18.9
69.03418	2.0
69.07057	100.0
70.06581	2.4
70.07397	1.4
71.04973	2.4
71.61917	0.5
72.08147	1.1
73.02901	0.9
77.03886	0.4
79.05478	11.4
81.03403	1.9
81.07045	10.7
81.07511	0.7
82.06566	12.9
82.94826	1.2
83.04973	10.5
83.08609	17.4
84.04496	0.9
84.08128	6.5
85.02898	1.5
85.06522	4.0
86.09699	2.2
89.03916	1.0
89.06008	1.8
90.60097	0.5
91.05463	12.2
93.03393	15.6
93.07034	10.1
95.04959	10.5
95.08601	4.2
97.02882	0.5
97.06519	20.4
97.10164	0.8
98.09676	0.7
98.97625	0.5
99.04435	1.4
99.08068	2.1
100.11243	37.6
103.05434	2.1
103.07559	2.2
105.07018	7.7
107.04939	29.3
107.08575	8.0
108.05276	0.5
109.02829	0.7
109.06500	8.5
109.10142	4.3
110.06023	4.5
111.03677	0.9
111.04426	13.3
111.05572	0.7
111.08060	2.0
113.06005	0.9
115.07538	1.5
117.03363	0.5
117.07000	4.3
119.04932	0.6
119.08566	8.9
121.02859	0.5
121.06496	5.2
121.10129	9.6
123.04347	0.6
123.08048	1.7
123.11659	1.4
123.97408	1.7
125.05969	1.4
125.09611	3.5
127.08640	4.2
128.02327	0.7
128.07053	2.4
129.10220	1.6
130.07755	0.5
131.04903	1.3
131.08539	3.7
133.10092	3.0
134.03552	0.6
135.04402	1.1
135.08040	3.5
135.11676	4.8
137.02786	1.2
137.05968	3.5
137.09590	1.0
139.03865	1.5
139.07594	0.9
139.08641	8.8
143.08640	0.6
145.02783	0.7
145.06459	1.1
145.10103	16.2
147.04355	0.6
147.11601	1.3
148.05144	0.5
149.02327	0.8
149.05960	8.1
149.09624	3.5
149.13190	2.1
151.11151	5.5
153.05450	1.9
153.09059	2.0
157.04883	1.0
159.04352	0.5
162.95798	1.0
162.96997	0.6
163.03896	1.4
163.07538	2.0
163.11159	60.6
163.14821	1.8
163.97661	1.4
164.11552	0.8
165.09065	0.6
166.02664	0.4
167.07037	1.1
167.10716	0.6
167.14284	6.5
167.96364	1.1
168.06532	0.6
173.09615	2.4
173.13278	2.1
177.05455	5.4
181.06430	0.5
181.08513	0.7
181.98708	1.1
185.97411	3.4
191.03328	1.3
191.07037	3.6
191.10632	11.2
191.14262	4.4
194.02080	1.4
209.04390	4.2
209.07970	5.6
209.09827	0.8
209.11665	15.6
209.16678	32.3
210.16766	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1169
Annotation	nocapyrone G
Peak:m/z	Relative Intensity
53.03942	2.7
55.01864	13.5
55.05500	5.7
55.85995	0.5
56.83973	0.6
57.03165	0.7
57.03430	1.5
57.07063	2.6
59.04987	0.7
65.03925	0.8
65.18530	0.5
67.05497	6.4
69.03417	3.4
69.07053	3.6
71.04989	2.3
71.44855	1.8
79.05479	20.4
81.03419	1.6
81.07043	7.9
83.04964	8.2
83.08601	3.4
84.08132	1.7
85.06535	2.2
89.03905	1.0
91.05469	13.2
93.03384	0.7
93.07032	12.5
95.04948	6.2
95.08590	6.1
97.06524	2.1
99.04418	1.3
103.05453	11.9
105.07014	80.0
106.04134	0.6
106.07337	0.8
107.04932	4.0
107.08580	11.3
109.06499	8.9
109.10147	3.8
111.04397	0.7
111.08073	2.0
115.05396	0.9
117.03371	1.2
117.06988	6.3
117.95956	0.9
118.96769	1.1
119.04951	0.7
119.08565	3.6
121.06480	13.9
121.10125	6.0
123.04392	0.7
123.08041	2.2
123.11716	1.2
123.97404	0.8
125.05974	1.5
125.09599	5.9
130.07759	2.7
131.04904	2.0
131.08539	2.7
133.10117	4.6
134.03618	0.8
135.04410	1.5
135.08038	7.2
135.11655	4.8
135.97021	1.2
137.09589	1.2
139.07501	1.0
143.08501	1.5
145.02817	1.8
145.06395	0.8
145.10091	13.6
147.11685	1.0
148.05165	0.9
149.05954	100.0
149.09561	3.2
149.13261	3.4
150.06285	1.0
151.11174	6.3
153.05466	1.4
153.09015	3.1
162.06741	0.8
163.01964	1.0
163.03850	0.9
163.07492	2.7
163.11162	5.2
163.14828	1.8
163.97653	2.1
165.09119	0.8
165.12782	1.5
167.07014	37.1
167.14288	5.9
173.09564	2.5
173.13237	3.6
176.46941	0.6
177.05443	10.7
181.08485	1.3
181.17754	0.8
181.98727	1.7
185.97395	1.9
186.99326	1.5
191.07001	3.2
191.10631	14.5
191.12404	1.1
191.12749	0.8
191.14268	8.2
193.04880	0.9
194.02100	1.1
209.04462	3.3
209.06194	1.4
209.08080	7.5
209.11687	31.9
209.15257	15.9
214.91791	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	208.0135
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	4.5
56.96563	13.0
57.03435	6.1
58.99873	4.4
59.92756	5.1
66.92737	6.6
70.06587	12.5
70.84844	10.8
70.85211	9.3
70.98108	4.4
80.94955	13.5
81.95059	15.5
82.94834	18.0
84.08125	13.5
85.02902	4.7
86.09671	9.3
89.03371	4.1
98.97540	5.2
119.01876	11.2
121.97674	5.4
122.97699	21.3
123.97436	19.0
125.94045	8.8
126.93724	11.5
143.95074	9.5
144.94745	6.2
145.03432	6.8
157.03526	6.7
161.96141	11.7
162.03098	11.5
162.95836	10.2
166.96692	26.4
167.96428	14.1
184.97746	55.8
185.02966	30.4
185.04591	10.0
185.97479	36.9
189.03656	5.1
203.04033	18.4
207.99484	10.1
208.01353	100.0
208.04500	9.5
208.15382	4.7
228.61128	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	207.1377
Annotation	Ibuprofen
Peak:m/z	Relative Intensity
53.03940	1.2
55.01850	1.6
55.05502	12.1
55.29501	1.0
57.03423	2.0
67.05493	7.8
69.03420	6.7
69.07071	6.0
69.60886	7.1
71.04964	6.1
79.05485	6.3
81.07056	7.9
83.04954	2.9
91.05477	14.5
93.07047	8.9
95.04964	6.5
95.08594	7.0
97.06506	3.4
98.21459	2.4
98.79713	1.2
99.04430	4.3
105.07019	38.1
106.23639	1.0
107.08581	25.7
109.06474	4.7
109.10147	9.8
117.06999	4.3
117.15196	1.1
119.04893	3.0
119.08564	63.8
121.06489	13.1
121.10140	4.0
123.08055	22.8
128.06255	2.2
129.07004	4.8
131.08551	11.8
133.06444	3.7
133.10114	17.0
135.08026	10.9
135.11662	1.2
137.09570	4.9
137.13261	1.6
141.06949	1.6
143.08510	7.2
144.09286	3.3
145.06502	1.3
145.10075	4.6
147.04404	1.9
147.08051	13.0
147.11673	56.0
149.09599	3.3
151.07544	1.7
153.09099	1.4
156.09328	12.1
159.07990	1.4
159.11674	37.1
160.08797	2.6
161.09622	6.3
161.13239	37.2
162.13638	1.4
171.11685	8.7
174.10393	3.0
175.03838	1.5
177.12750	9.9
179.14296	1.4
189.09163	1.6
189.12730	26.7
207.06459	2.6
207.13776	100.0
208.14027	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1375
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
55.01864	1.2
55.05487	4.5
57.07058	3.9
67.05160	1.7
67.05492	21.8
69.03423	4.6
69.07038	2.3
69.58864	1.2
70.68517	3.9
71.04972	1.8
79.05479	3.8
81.07055	6.3
83.04967	2.2
85.02870	1.5
85.06528	11.0
91.05470	7.1
93.07036	12.0
95.04932	4.4
95.08590	100.0
96.08978	1.5
105.06997	9.9
107.08572	19.8
109.06487	5.0
109.10128	3.0
113.05984	7.9
116.06225	1.6
117.07008	1.3
119.04934	1.7
119.08566	22.0
121.06474	2.4
121.10109	15.3
123.08047	47.8
123.11693	5.0
131.08522	4.3
133.10085	4.7
135.08017	1.4
135.11655	5.8
137.09596	7.1
137.13303	1.5
139.07509	1.7
143.08554	1.4
145.10080	1.7
147.08037	5.9
147.11646	14.5
149.09599	47.7
151.07492	6.9
151.14787	3.1
155.79770	1.3
156.09340	2.5
161.09607	3.1
161.13234	16.9
163.11176	3.0
165.09074	1.7
165.12726	11.8
171.11641	4.0
174.10414	3.1
179.14265	3.2
189.12709	24.2
190.13033	1.2
207.13773	42.9
207.15712	2.4
208.14116	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1377
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
52.20662	0.6
53.03920	0.8
55.05503	5.4
57.07076	4.9
59.04980	1.0
64.69460	0.6
65.03925	1.1
67.05498	25.7
69.03420	2.8
69.07064	2.4
70.60016	1.9
70.60396	1.1
71.04989	0.9
79.05475	3.0
81.07059	4.4
83.04978	2.0
85.02905	6.8
85.06535	10.1
88.61166	0.7
91.05457	5.0
93.07038	9.4
95.04979	3.4
95.08597	100.0
96.08927	1.4
97.06501	0.8
105.07021	12.2
107.08586	11.8
109.06538	3.1
109.10157	3.5
110.42352	0.6
113.05993	5.3
113.08733	0.7
117.06995	1.1
117.79942	0.6
119.04879	0.8
119.08566	16.2
121.06499	1.2
121.10128	11.3
123.08060	43.4
123.11681	7.9
124.08369	0.6
130.07817	0.7
131.08560	3.2
133.06535	0.8
133.10109	3.9
135.08051	1.2
135.11684	5.9
137.09613	2.7
137.13286	0.8
139.07535	1.2
143.08499	1.0
145.10143	1.9
147.08025	4.0
147.11658	9.5
149.09604	26.6
150.09967	0.7
151.07497	1.4
151.14845	4.7
156.09337	2.9
159.08101	1.0
160.08800	0.7
161.09605	0.9
161.13242	11.4
163.11172	2.1
165.09084	1.1
165.12737	8.0
171.11702	2.6
174.10391	3.5
179.14288	2.9
189.12714	14.1
207.13782	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	207.1377
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
51.02381	0.7
53.03936	5.4
54.08345	0.7
55.01868	1.9
55.05502	8.0
56.29409	0.6
56.96577	0.9
57.03438	1.0
57.07082	2.1
59.05002	1.0
59.29539	0.7
61.02908	0.7
65.03928	1.7
67.05496	26.3
69.03425	10.3
69.07061	5.5
69.97786	3.8
71.04990	2.4
73.06561	0.9
77.03926	1.9
79.05483	38.4
80.05824	0.9
80.60081	0.9
80.94951	1.2
81.03403	2.1
81.07047	20.3
83.04976	5.6
83.08616	3.0
85.02898	2.5
85.06534	4.2
87.04469	1.2
91.04879	1.3
91.05470	46.6
93.07031	100.0
94.07347	1.1
95.04948	13.8
95.08598	15.4
97.06512	1.9
97.10179	1.2
99.04431	0.8
99.08038	0.9
103.05481	0.9
105.03431	0.8
105.04499	2.0
105.07017	24.0
107.04926	1.5
107.08588	12.2
109.06506	5.6
109.10146	1.4
111.04447	0.8
111.08064	1.1
113.06029	0.9
115.05426	0.9
115.96440	4.1
116.97196	3.2
117.06986	4.3
119.08562	17.0
121.06503	3.7
121.10130	5.5
121.97531	1.0
123.08041	8.7
123.11696	1.5
125.09661	0.8
127.07542	2.1
128.06209	1.2
129.05534	0.8
129.06993	8.7
131.08565	2.6
131.69188	0.8
133.06505	1.7
133.10117	6.2
133.97420	4.0
134.56578	0.8
135.08002	1.1
135.11673	2.2
137.05963	1.4
137.09595	2.6
139.11076	1.2
143.08525	5.4
145.10094	9.0
147.04395	1.9
147.08044	3.8
147.11667	49.8
148.12016	0.8
149.09587	5.1
151.03833	0.9
151.07545	2.6
151.11147	0.7
156.09349	1.7
159.11656	1.1
161.09612	5.3
161.13251	11.8
163.11177	2.0
165.09065	1.7
165.12738	3.5
165.96501	1.6
171.04459	0.9
171.11667	19.9
174.10414	1.3
175.03951	1.1
179.10588	0.8
183.97525	1.2
184.00165	0.9
189.09099	1.6
189.12726	16.7
190.05008	1.0
207.06516	4.0
207.10255	3.8
207.12007	1.3
207.13759	39.7
207.17410	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	207.0649
Annotation	Scoparone
Peak:m/z	Relative Intensity
50.41884	0.2
53.03942	0.4
55.01870	0.3
55.05484	1.2
57.07060	0.7
65.03922	0.4
67.05476	1.3
68.99784	0.3
69.03424	1.8
69.07049	0.5
70.23899	1.3
71.04966	0.6
79.05471	1.1
80.94924	0.4
81.03365	0.3
81.07052	1.4
83.04950	0.9
84.08125	0.3
85.02875	1.0
85.06548	0.3
89.06006	1.2
91.05464	4.0
93.07021	2.2
95.04930	1.1
95.08591	3.8
97.06498	0.4
99.04433	0.5
99.57371	0.3
105.03425	0.3
105.07008	2.8
107.04950	1.6
107.08571	2.6
108.05703	1.2
109.06490	1.1
109.10132	0.7
111.04442	0.4
115.96409	1.2
117.06982	0.4
118.04095	0.5
119.04916	1.8
119.08565	2.7
121.02809	0.4
121.06483	2.6
121.10123	1.5
121.97533	0.4
123.04387	0.7
123.08035	3.0
123.11702	0.8
124.93833	0.4
126.73332	0.3
128.06097	0.3
131.08563	0.6
133.02747	0.5
133.06467	0.6
133.10078	2.0
133.97449	0.5
135.04372	1.0
135.08069	0.4
135.11673	0.4
136.05176	4.3
136.13177	0.3
137.05888	0.5
137.09584	0.7
139.07518	1.0
143.08517	0.5
145.02808	0.4
145.10138	0.7
146.03598	1.5
147.04385	1.0
147.08023	0.9
147.11670	2.8
148.05174	4.8
149.02304	0.7
149.05862	0.3
149.09586	2.5
151.07516	26.5
152.07881	0.4
156.09326	0.3
161.05933	0.4
161.09601	1.9
161.13232	1.1
163.03883	8.3
163.07513	1.0
163.11108	1.5
164.04642	1.6
165.09102	0.3
165.12737	0.8
165.96490	0.4
174.03090	0.7
175.03906	0.3
176.42757	0.3
177.01848	0.5
178.02570	2.7
179.07011	9.1
179.10565	0.5
180.07355	0.3
183.97588	1.0
183.99971	0.3
189.05362	0.4
189.09102	1.0
189.12679	1.9
189.16351	0.6
191.03366	10.9
192.04114	7.7
207.06490	100.0
207.13741	4.6
207.17467	0.8
208.06902	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.0771
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96542	1.2
63.74823	1.0
65.92619	2.4
69.97955	3.8
78.95268	2.4
80.94945	6.2
86.99328	1.1
92.19948	1.0
94.75552	1.0
98.20792	1.0
98.95988	1.1
100.02452	1.5
101.00857	14.9
103.00607	1.3
109.83691	0.9
115.02454	1.2
119.01900	66.7
119.97829	1.8
120.01996	2.9
121.01623	4.5
121.97569	8.3
122.94204	1.0
123.02119	0.9
124.02418	5.5
124.93851	3.9
134.99626	1.1
137.02922	19.9
138.02966	1.9
139.02637	2.0
140.95311	1.8
142.03474	100.0
142.94894	2.5
143.03629	3.8
144.03186	2.7
158.96246	1.6
159.96561	0.8
160.04529	42.3
160.95949	5.0
161.02933	9.3
161.04778	1.8
163.96794	1.5
164.97147	2.8
165.05077	6.0
165.96515	8.6
167.36200	0.9
179.00667	1.0
179.04005	2.3
181.97818	1.7
182.98189	3.1
182.99707	1.4
183.01381	1.1
183.06230	1.7
183.97562	13.7
184.04506	6.6
188.99139	2.1
191.49454	1.1
200.49957	9.7
201.00359	3.4
201.02362	0.9
201.49945	2.5
202.05626	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.0649
Annotation	6-Hydroxymethylherniarin
Peak:m/z	Relative Intensity
53.03942	0.4
55.01863	1.6
66.84055	0.4
67.01852	0.6
70.14599	2.2
71.37858	0.3
79.05480	3.9
91.05479	1.8
91.41077	0.4
93.03359	0.4
95.04934	1.0
96.68109	0.4
103.05466	2.8
104.34212	0.4
105.03413	0.5
105.07014	14.9
115.05436	3.8
115.96369	0.4
119.04946	0.9
133.06473	8.6
135.03397	0.6
135.04396	6.3
143.04898	0.6
147.04355	3.5
161.05960	47.9
162.06216	0.9
163.03894	7.7
168.53952	0.4
171.04332	0.5
175.28619	0.4
189.05443	93.8
190.05762	1.8
207.06499	100.0
208.06848	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1949
Annotation	(+)-Theonellin
Peak:m/z	Relative Intensity
53.03940	1.7
55.01860	1.0
55.05500	3.8
55.93507	1.2
57.07070	9.3
60.04520	5.3
64.28150	0.8
64.92200	0.8
65.03919	3.8
67.05499	7.1
69.03426	2.0
69.07061	10.3
69.76168	5.5
71.04965	0.8
71.08630	0.9
71.93010	0.8
72.93776	13.2
79.05493	6.4
81.03405	2.2
81.07049	42.0
82.07392	0.9
83.04943	0.8
83.08606	3.5
85.02904	3.6
85.04813	0.9
87.04462	1.5
90.94817	4.4
91.05473	4.5
93.07032	40.1
95.04956	2.2
95.08601	16.8
97.02883	12.7
97.10169	3.2
99.01513	0.9
99.04449	2.5
99.94842	0.9
105.07027	4.9
107.08584	17.9
108.95856	0.9
109.02867	8.1
109.10149	11.3
113.96392	24.4
113.97143	1.6
115.05824	1.0
116.05322	1.9
116.06132	0.8
117.06959	1.0
119.08564	2.2
121.02852	7.8
121.03985	1.4
121.06486	5.4
121.10130	100.0
122.10465	2.2
123.08039	0.9
123.11684	6.7
123.79732	0.8
126.05514	0.9
127.03909	3.8
127.05788	1.8
131.08620	1.1
131.97421	34.9
135.08102	0.9
135.11676	11.7
139.03860	0.9
145.10100	2.0
146.05974	1.0
147.08014	1.2
149.02327	87.8
149.13240	26.6
150.02640	2.8
154.98997	14.8
155.00156	1.3
159.07996	1.6
159.11690	1.7
162.10371	1.6
163.11116	2.2
163.14835	2.1
165.00249	1.1
166.01074	2.0
167.03445	2.4
169.06621	1.1
175.01509	1.0
175.07668	0.9
177.12738	7.3
187.07549	1.3
190.04849	1.9
200.04710	1.3
205.04945	1.1
205.06924	1.6
205.08788	3.9
205.12248	13.7
205.14142	2.9
205.15860	2.5
205.19513	17.1
206.12462	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1948
Annotation	(+)-Theonellin
Peak:m/z	Relative Intensity
53.03928	1.2
55.01869	0.6
55.05500	6.8
55.93507	0.9
57.07071	7.4
59.85585	0.5
60.04516	1.7
65.03930	1.0
67.05162	0.6
67.05494	6.9
69.03402	0.6
69.07057	16.2
71.08607	1.4
71.63428	0.7
71.92953	0.5
72.93773	4.0
79.05477	8.9
81.03405	1.2
81.07043	43.8
83.08606	5.2
85.02893	1.3
89.32271	0.4
90.94789	0.9
91.05457	5.3
93.03378	0.9
93.07029	40.8
94.07347	0.5
95.04934	1.2
95.08591	26.0
96.08925	0.6
97.02877	5.0
97.04852	0.5
97.10150	5.1
98.92612	0.4
99.04442	0.9
105.07006	4.0
107.08578	27.5
109.02859	2.7
109.06467	0.5
109.10136	23.1
110.10403	0.4
111.11688	2.4
113.96381	9.6
116.05287	0.6
117.06963	0.6
119.08573	1.4
121.02847	4.4
121.03982	0.9
121.06479	1.9
121.10121	100.0
122.10431	2.3
123.11679	9.3
125.13259	0.5
126.05464	0.8
127.03889	1.4
127.05844	0.7
131.08600	0.8
131.97418	11.1
135.11667	19.6
135.12692	1.0
137.13228	1.1
139.03870	0.8
145.09991	0.5
147.11696	0.7
149.02319	42.8
149.13232	36.8
150.02620	2.1
153.49425	1.4
154.98970	4.2
162.10371	0.6
162.50034	1.1
163.14793	4.1
165.00294	3.0
165.50391	0.7
166.00963	0.6
167.03331	0.7
176.51028	0.8
177.12709	3.1
177.16409	0.7
187.07602	0.6
190.05161	0.6
190.62328	0.5
191.14233	0.6
200.04698	0.7
205.04904	1.8
205.06721	0.8
205.08769	2.1
205.12212	5.1
205.14131	1.5
205.15971	1.0
205.19487	29.7
206.19781	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1948
Annotation	alpha-Farnesene
Peak:m/z	Relative Intensity
53.03933	1.5
55.05505	19.0
57.07067	12.5
60.04510	8.0
61.04827	2.4
65.77263	1.5
67.05499	14.3
69.03413	3.0
69.07052	37.4
69.84810	8.2
71.08618	2.2
72.93802	1.7
75.31161	1.2
79.05479	15.0
81.03384	1.9
81.07043	51.3
83.08606	16.8
84.04473	1.9
85.02866	3.2
91.05464	7.8
93.07029	52.5
95.08590	57.1
97.02883	9.5
97.10152	10.3
98.21394	1.8
103.45836	1.4
105.06998	6.3
107.08579	57.0
109.02847	6.4
109.10136	50.9
111.11690	5.0
113.96346	4.8
114.21324	1.3
116.05357	1.6
121.02847	4.6
121.06462	7.0
121.10124	100.0
122.10458	2.6
123.11685	24.0
127.03893	1.8
131.97388	4.1
135.08041	2.0
135.10664	3.3
135.11667	47.6
137.13197	2.9
149.02298	32.7
149.13231	65.9
161.13289	1.6
162.10350	2.0
163.11119	1.9
163.14792	7.4
177.12737	7.5
201.82310	1.4
205.08835	4.0
205.12198	12.0
205.14114	4.0
205.19485	74.7
206.19121	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	205.1948
Annotation	(+)-Theonellin
Peak:m/z	Relative Intensity
53.03933	1.1
55.05501	13.3
57.03441	0.6
57.07066	5.4
60.04517	4.4
61.02919	0.5
61.04844	1.0
65.03926	2.4
67.05495	100.0
67.23736	0.4
68.05833	1.1
69.03413	1.2
69.07059	11.2
69.07442	0.6
71.00607	1.3
71.08620	1.0
77.03932	0.6
79.05482	36.7
81.03432	1.0
81.07046	85.2
82.07372	0.9
83.08608	9.6
84.04485	0.5
85.02896	1.6
85.10162	0.5
87.04451	0.5
91.05463	5.8
93.07031	46.8
95.04968	2.8
95.08592	40.2
97.02871	4.9
97.10136	3.7
98.03208	0.9
99.04446	1.3
105.07019	2.2
107.04945	0.8
107.08583	29.2
108.08878	0.5
109.02869	3.7
109.06580	0.6
109.10142	38.0
110.10480	0.7
111.11691	1.0
116.34203	0.4
117.06985	0.7
119.08554	1.3
121.02860	2.3
121.06501	3.3
121.10127	81.4
122.10471	1.3
123.08049	1.4
123.11692	45.6
124.12021	0.7
127.03903	1.4
127.05872	0.9
128.06180	0.4
131.08565	1.4
133.10077	1.1
134.07196	0.6
135.08052	1.6
135.11671	59.4
136.12007	1.7
137.13240	7.1
139.03882	0.6
143.08688	0.5
143.09872	0.6
145.10141	1.5
147.08055	0.6
148.08861	1.1
149.01120	1.1
149.02321	20.2
149.09567	1.4
149.13242	19.9
150.02666	0.7
156.35773	0.4
159.08063	0.8
159.11655	1.2
160.84564	0.5
161.09576	1.0
162.10368	2.2
163.07549	0.8
163.11145	2.9
163.13519	0.8
163.14793	7.1
169.06436	0.6
177.09174	0.5
177.12735	4.3
177.16319	0.8
187.07553	1.7
198.23032	0.5
205.04861	1.3
205.08820	3.5
205.12195	6.1
205.14304	2.6
205.15865	74.1
205.19478	100.0
206.11812	0.4
206.16251	3.1
206.19888	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	205.1949
Annotation	(+)-Theonellin
Peak:m/z	Relative Intensity
53.03939	0.6
54.15411	0.4
55.01869	0.7
55.05501	3.6
57.07067	11.0
58.58157	0.4
60.04520	2.5
61.04850	1.2
62.58863	0.3
65.03930	3.8
67.05500	3.3
69.03413	0.8
69.07059	7.6
69.47840	2.4
69.48251	0.9
71.08617	0.4
72.93779	3.0
79.05477	3.8
81.03417	0.9
81.07049	22.2
81.75858	0.4
82.07356	0.4
83.08612	3.2
84.04493	0.5
85.02887	1.4
87.04456	0.5
90.94822	0.4
91.05459	2.7
93.03410	1.8
93.07032	19.9
95.04975	0.7
95.08595	13.4
97.02872	3.4
97.10168	2.1
98.21487	0.9
99.04451	0.5
105.07022	2.4
107.08585	13.5
109.02882	2.1
109.06507	0.4
109.10141	10.6
111.04417	1.1
111.11698	1.2
113.96389	4.9
116.05280	0.5
119.08602	0.9
121.02859	10.8
121.03931	1.4
121.06508	1.7
121.10126	52.7
122.10479	0.9
123.07998	0.5
123.11697	6.1
127.03852	0.9
127.05840	0.6
131.08565	0.5
131.97421	6.6
133.10226	0.6
135.11684	10.1
145.10089	1.1
149.02324	100.0
149.13239	18.6
150.02667	3.2
150.13609	0.4
154.99010	2.9
159.11703	0.5
162.10390	1.0
163.11194	0.4
163.14836	1.6
167.03392	2.2
169.99620	0.4
173.01540	0.4
177.12737	2.7
177.51811	0.5
187.07573	0.9
187.14737	0.4
190.04993	1.6
190.09937	0.4
190.11772	0.4
191.14249	2.4
205.08908	2.2
205.12215	4.8
205.14218	2.1
205.15987	0.7
205.19505	13.1
206.11795	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.0969
Annotation	L-Tryptophan
Peak:m/z	Relative Intensity
66.05469	0.4
69.71108	1.8
69.71521	1.2
74.02434	1.4
91.05462	1.1
115.05444	1.6
117.05750	0.8
117.06984	2.4
118.06522	33.2
119.06863	0.6
130.06491	2.1
132.08066	8.9
134.85352	0.4
142.06508	3.4
143.07285	4.2
144.04396	0.5
144.08063	17.8
146.05983	79.5
147.06317	0.9
159.09151	8.7
160.07523	1.1
170.05997	6.5
181.97968	0.5
188.07033	100.0
189.07376	1.5
205.09665	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.0855
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.9
53.22192	0.4
55.01873	1.0
55.05504	0.4
57.03426	0.5
57.07064	2.6
60.04509	4.9
61.04850	1.2
61.75497	0.4
63.91889	0.3
65.03935	1.8
67.81975	0.3
67.89758	0.4
69.03414	1.2
69.07056	0.7
69.89321	2.5
71.04975	0.5
75.03179	0.4
76.78054	0.4
78.95265	0.6
79.05476	1.1
81.03400	1.2
81.07047	0.7
84.04491	0.6
85.02406	0.4
85.02898	1.5
87.04472	0.5
91.05459	10.8
93.03384	1.4
93.07014	2.4
95.04929	0.6
95.08596	1.1
97.02876	4.7
99.04447	0.8
103.05468	1.6
105.07022	2.7
107.04935	3.5
107.08588	1.3
109.02850	2.8
109.06495	0.5
113.96371	1.0
115.05423	7.6
116.06247	2.9
117.06986	2.1
119.04932	0.4
119.08572	2.7
119.97913	0.7
120.97523	0.4
121.02851	3.1
121.03654	0.4
121.03991	0.4
121.06482	4.1
121.10124	1.2
122.94203	0.7
123.01068	0.4
125.16270	0.4
126.10487	0.6
127.03912	0.7
128.06200	3.1
129.07011	2.7
131.04901	4.9
131.08542	17.5
131.97403	0.7
133.06487	1.7
133.10104	0.7
135.04401	0.7
135.08040	1.3
135.11662	1.1
141.06964	13.9
143.08490	0.9
144.05675	11.4
144.09323	0.5
145.02827	0.8
145.06458	3.6
145.10089	1.9
146.07210	1.1
147.04347	0.9
149.02312	18.6
149.13261	0.5
151.03867	0.9
155.05969	0.6
158.03578	0.8
158.96243	0.7
159.04364	3.4
159.08022	14.7
159.11644	1.5
161.05920	1.0
161.09576	1.5
162.10460	0.9
163.03885	4.4
163.07509	0.8
163.11139	0.6
163.96819	0.9
169.06419	15.0
169.07582	1.6
171.09134	0.5
173.05850	0.5
175.07408	0.7
176.04617	0.9
177.05519	0.5
177.09062	0.8
177.12698	4.2
181.97827	1.5
187.07506	63.8
188.07893	1.2
190.09862	0.8
205.08562	100.0
205.11902	8.5
205.15834	0.9
206.08929	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	205.0854
Annotation	Eriosematin F
Peak:m/z	Relative Intensity
51.02365	0.5
55.01851	1.2
57.03429	7.0
57.07050	0.6
60.04498	0.9
65.03899	0.5
70.80136	1.1
72.93773	2.8
77.20303	0.4
79.05476	1.8
91.05470	9.8
93.07023	0.7
95.04922	0.5
97.02848	0.7
98.17009	0.4
103.05467	2.7
104.06258	0.5
105.07012	10.1
107.04955	0.5
107.08566	2.0
109.02864	1.0
109.06483	0.6
113.96383	4.2
115.05402	4.4
116.06240	3.2
117.06995	11.3
119.04936	1.1
119.08546	2.1
121.02837	0.7
121.06462	1.6
123.08045	1.5
128.06195	9.0
129.06984	11.8
131.04909	16.3
131.08539	10.0
131.97435	2.9
133.02805	2.6
133.06461	2.0
133.07494	0.9
135.08029	19.8
141.06950	4.3
144.05684	5.3
145.06461	34.4
146.06784	0.7
147.04390	7.5
147.08011	3.5
148.05173	11.6
149.02293	4.9
149.05925	1.6
149.09576	2.6
155.05986	1.2
157.00398	0.8
157.07584	1.2
159.04393	1.5
159.08026	15.8
161.02284	2.0
161.05972	2.2
162.06758	4.1
163.03870	0.9
163.07513	36.6
164.07870	0.6
166.01048	8.3
169.06427	4.6
171.04376	1.3
172.05148	5.3
173.05956	28.1
174.06284	0.9
175.01590	1.0
175.03856	0.8
175.07452	1.1
175.08795	0.5
177.09067	5.0
177.12698	1.3
177.51823	2.2
182.52800	0.4
187.03938	1.0
187.07516	28.9
188.07869	0.9
190.02489	1.1
190.06209	1.7
198.47958	0.5
200.04633	4.7
205.05060	14.3
205.08565	100.0
206.05203	0.5
206.08960	2.6
215.06918	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.0857
Annotation	Anofinic acid
Peak:m/z	Relative Intensity
53.00834	0.4
58.30899	0.4
60.04497	0.6
70.68111	1.5
74.44938	0.3
80.67310	0.3
91.04881	0.6
91.05465	9.5
96.35123	0.4
97.02872	1.3
97.10243	0.4
103.05446	1.2
105.07012	0.7
105.50706	0.4
107.04953	1.3
107.95901	0.4
109.02863	0.6
115.05433	7.0
116.06221	3.3
117.06986	1.6
119.04919	0.4
119.08546	2.0
121.02824	0.9
121.06486	0.5
121.10165	0.6
128.06198	2.9
129.06984	2.7
131.04926	5.3
131.08546	17.3
133.06450	1.4
135.04388	0.4
141.06961	14.3
144.05688	9.8
145.06462	2.9
147.04439	0.7
149.02312	4.4
151.03908	0.5
155.06050	0.6
158.03600	1.0
159.04396	3.2
159.08028	12.3
161.09612	0.8
163.03879	2.2
169.06442	18.3
169.07614	1.7
170.06931	0.5
171.09167	0.9
176.04648	0.9
177.09000	0.6
177.12807	0.9
181.67020	0.4
181.97929	0.4
187.07515	69.5
188.07886	1.0
205.08571	100.0
206.08894	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.0857
Annotation	Anofinic acid
Peak:m/z	Relative Intensity
53.03953	0.5
55.01860	1.4
55.05492	0.9
56.96564	2.3
57.07071	4.1
60.04513	1.9
61.04835	0.6
65.03925	1.7
67.05477	0.8
69.03432	0.9
69.37202	4.9
81.03392	0.8
85.02877	1.7
87.04462	0.7
91.05470	9.1
93.03387	0.6
93.07022	1.3
95.08610	0.7
97.02880	6.2
98.21507	0.8
99.04446	0.9
103.05445	1.4
105.07011	1.6
107.04936	2.1
107.08585	1.1
109.02881	2.7
109.10219	0.8
111.04411	0.6
113.96393	1.5
115.05398	6.5
116.06249	3.0
117.07034	2.2
119.08543	2.4
121.02857	5.7
121.03768	0.8
121.06490	3.0
121.10106	0.9
127.03908	1.3
128.06204	2.8
129.07018	2.6
131.04927	4.4
131.07565	0.8
131.08556	16.4
131.97391	1.1
133.06470	1.5
133.10097	0.8
135.11617	0.5
139.03865	0.8
141.06975	11.6
141.07957	0.4
144.05681	11.1
145.02815	0.7
145.04982	0.5
145.05432	0.5
145.06447	3.6
145.10095	0.6
147.04396	0.9
147.07985	0.7
149.02324	38.6
149.53746	0.6
151.03847	0.9
154.98927	0.6
155.06062	0.5
157.06493	0.5
158.03947	0.7
159.04419	3.6
159.08023	12.9
159.11647	1.0
160.54424	0.6
161.04579	1.1
161.05872	0.8
161.09602	1.0
161.15009	0.5
162.10362	0.9
163.03877	2.6
163.11110	1.0
167.03407	0.9
168.05661	0.8
169.06436	15.9
169.07625	1.9
169.54884	0.5
170.05067	1.0
170.06886	0.5
172.05177	0.7
176.04680	0.8
177.05470	0.6
177.09061	0.8
177.12744	3.1
181.97734	0.5
187.07515	62.7
188.07729	0.8
190.09753	0.8
205.08575	100.0
205.12199	4.9
205.14030	1.7
205.15933	1.5
206.08920	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.0856
Annotation	Anofinic acid
Peak:m/z	Relative Intensity
55.01862	1.6
56.96573	0.6
57.07069	1.5
60.04515	1.2
61.04863	0.8
65.03925	0.9
67.05489	1.5
69.03431	1.3
69.83852	3.0
79.05511	0.8
91.05466	7.3
93.07013	0.7
95.65520	0.6
97.02875	2.1
103.05535	0.7
105.07017	4.0
107.04944	8.1
109.02870	1.0
115.05429	6.7
116.06208	2.3
117.07037	1.9
119.04935	1.3
121.02849	2.9
121.06490	2.3
128.06255	1.2
129.06967	2.1
131.04912	6.7
131.08549	15.6
132.05693	1.8
133.06473	5.9
133.10089	1.4
141.06964	19.1
144.05684	19.6
145.02811	1.0
145.06499	4.6
146.07275	4.0
147.04346	1.2
149.02321	10.0
151.03900	2.8
158.03629	1.0
159.04433	3.5
159.08028	23.7
161.05965	2.5
161.09601	5.5
163.03886	1.1
163.05254	0.5
166.86081	0.7
168.05663	0.8
169.06433	24.6
169.07599	2.8
171.05518	1.9
176.04643	1.1
177.12730	2.1
186.06705	0.7
187.07515	80.2
188.07869	1.6
190.10103	0.7
205.08571	100.0
206.08916	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1793
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
53.03922	1.2
55.05502	7.6
56.05008	0.9
56.91708	0.9
56.96558	13.4
57.07061	2.3
60.04519	42.2
65.07840	1.0
67.05163	1.1
67.05498	18.4
68.05015	1.9
69.06752	0.9
69.07059	8.7
69.49319	8.1
73.42107	0.8
79.05479	10.9
81.03418	1.1
81.07047	32.4
83.08603	3.5
83.63753	0.8
84.04494	8.2
85.02895	4.3
85.91887	0.8
91.05474	13.5
93.06464	1.3
93.07034	24.9
94.07381	0.9
95.04966	1.6
95.08594	60.5
96.04472	3.7
97.02877	4.4
97.10168	1.9
98.97564	1.4
99.04392	1.6
101.90447	1.0
105.07019	46.5
106.07326	1.1
107.08578	30.1
109.10144	43.1
110.06027	1.1
114.05510	3.8
117.06988	2.5
119.00145	1.0
119.08567	38.3
120.96492	1.7
121.10127	26.3
123.11683	9.1
126.05514	13.0
127.03902	1.4
131.00150	2.7
131.08543	2.2
133.10112	31.3
135.11671	4.9
138.05518	1.4
144.06519	1.9
145.04962	1.9
145.10092	2.3
147.11673	58.4
149.01204	15.6
156.06607	1.1
157.10072	1.1
159.11649	2.1
160.12433	1.0
161.09622	3.5
161.13232	16.8
167.02284	11.2
168.06595	1.6
172.02875	2.2
175.07484	1.3
175.14859	6.6
182.09563	1.2
185.09560	1.2
186.07597	1.7
188.04634	2.4
190.03897	2.1
202.99367	1.1
203.07002	8.4
203.10664	4.6
203.14336	3.3
203.17934	100.0
204.08659	13.3
204.13750	7.2
204.18279	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.179
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
53.24820	0.9
55.01841	1.1
55.05234	1.1
55.05497	8.9
57.07049	3.0
60.04512	51.9
65.03935	1.9
67.05489	33.5
68.04993	1.3
68.29239	1.0
69.03389	1.4
69.07054	23.8
71.63399	1.7
73.97656	0.9
79.05465	8.3
81.07038	44.6
83.08604	6.0
84.04481	9.6
85.02867	3.2
90.65615	1.1
91.05455	14.9
93.07024	19.3
95.08586	58.4
96.04472	6.3
97.02869	4.1
97.10142	2.0
98.06033	2.1
99.04447	1.9
100.24410	1.1
105.07011	56.9
107.08566	22.3
109.10133	75.3
114.05527	5.6
115.05399	4.1
117.07026	5.2
119.08557	47.9
120.96472	1.5
121.10111	20.0
123.11686	6.6
126.05487	15.8
128.06145	1.1
129.06927	1.0
130.21040	1.0
131.08566	2.7
133.09084	2.0
133.10101	34.9
135.11697	7.6
138.05438	1.1
142.61005	1.1
143.08611	1.3
144.06511	4.0
145.04895	1.5
145.06471	1.8
145.10086	6.0
147.07945	1.5
147.11655	79.8
159.11658	2.0
160.05231	1.5
160.12460	3.5
160.40245	1.1
161.09554	2.2
161.11945	1.7
161.13217	19.4
168.06548	1.1
173.02278	2.0
173.05943	1.3
175.07474	2.3
175.14783	5.6
179.97720	1.2
185.05927	1.5
185.09546	1.9
185.13150	1.6
186.07645	1.4
188.04602	5.6
189.11317	1.6
203.03358	10.3
203.06969	16.5
203.08762	1.4
203.10712	3.9
203.14227	4.5
203.17914	100.0
204.08618	15.7
204.13742	8.0
204.18214	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.179
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
53.03946	0.9
55.05499	4.9
56.05016	0.9
57.03413	0.7
57.07064	1.5
60.04516	47.0
67.05167	0.7
67.05492	10.3
68.05007	2.1
69.03413	0.9
69.07055	9.2
69.37059	2.9
69.37489	3.2
77.03951	0.6
79.05475	5.1
81.07045	24.9
83.01332	0.9
83.08600	2.7
84.04031	0.7
84.04498	9.5
85.02908	4.1
91.05461	11.0
93.07028	13.1
95.04945	0.8
95.08593	31.5
96.04501	3.0
97.02871	3.4
97.10159	1.3
98.06042	0.8
99.04433	1.6
105.07013	38.9
107.08576	19.0
109.06525	0.8
109.10138	23.3
110.05938	0.8
114.05525	3.2
114.55179	0.6
115.05390	1.8
116.95148	0.6
117.06985	2.8
119.08561	28.9
120.96453	1.4
121.10117	10.5
123.11680	4.8
126.04551	0.7
126.05498	12.7
127.03862	1.1
129.06905	0.7
131.08562	3.6
133.10110	22.2
134.96248	1.0
135.11662	2.6
138.05450	0.8
142.07771	0.8
144.06499	2.1
145.04915	1.7
145.06462	0.8
145.10104	3.9
147.11662	54.4
148.12036	1.3
157.10117	1.9
159.11670	2.6
160.05177	1.0
160.12418	3.7
161.09538	1.0
161.13228	17.4
168.06570	0.8
175.07536	1.4
175.11263	0.6
175.14751	4.7
179.97798	1.3
186.07603	1.7
188.04626	3.6
203.06973	9.8
203.10619	2.3
203.14267	3.8
203.17928	100.0
204.06906	1.0
204.08665	11.9
204.13800	4.4
204.18275	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1792
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
50.53949	0.7
53.03947	0.8
55.05507	4.3
57.07050	1.0
58.40427	0.6
60.04520	21.7
67.05495	12.8
68.05008	1.8
69.07056	6.0
79.05486	4.9
81.07046	20.2
83.08613	1.7
84.04496	5.9
85.02892	3.1
87.70496	0.7
90.32565	0.7
91.05475	8.3
93.06458	1.2
93.07029	17.1
95.04936	0.7
95.08595	46.6
96.04474	4.6
97.02873	4.0
97.10127	0.8
99.04442	1.4
105.07021	31.3
107.07849	1.4
107.08578	27.0
109.10143	30.9
110.06055	1.1
110.61854	0.7
111.96871	0.8
114.05505	5.1
115.05428	1.3
117.06965	1.2
119.08566	24.5
120.02052	0.8
120.96495	1.7
121.09303	1.1
121.10128	14.3
123.11684	5.5
126.05500	10.3
129.06950	1.1
129.97890	1.3
132.02043	2.5
133.10115	19.2
134.96194	0.8
135.11646	3.1
138.05487	1.3
142.07788	0.8
144.06511	2.7
145.04973	1.0
145.10121	1.8
147.04529	0.9
147.11670	35.8
157.10097	1.0
159.11647	1.5
160.05151	1.4
161.13235	15.8
168.06517	1.9
173.02328	3.2
175.07484	1.4
175.11166	1.2
175.14786	8.5
179.97878	1.0
186.07442	0.8
188.04663	2.7
189.11435	1.2
203.03395	13.9
203.06953	9.5
203.08438	0.9
203.10645	2.2
203.14264	3.6
203.17931	100.0
204.03687	0.8
204.08665	9.8
204.13837	5.9
204.18236	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	203.1388
Annotation	H-Ala-Ile-OH
Peak:m/z	Relative Intensity
52.95124	0.8
53.03905	0.8
55.01833	1.3
55.05500	2.3
55.71807	0.8
55.93493	1.0
56.96550	5.5
57.03413	1.9
57.76546	0.9
58.43844	0.7
59.04970	1.0
59.53786	0.7
60.04514	42.6
61.02893	2.0
63.54120	0.8
66.20882	0.8
68.04997	2.3
69.03400	2.1
69.07048	1.5
70.06570	2.2
70.21717	3.9
71.01344	0.9
71.04959	1.1
72.08138	2.7
73.02879	2.7
78.80620	0.8
81.03402	1.3
81.07024	1.4
83.01344	1.4
83.04954	1.3
84.04488	4.2
84.08117	6.5
85.02882	4.5
85.08462	1.1
86.09688	100.0
87.04458	1.3
87.10010	1.7
87.95155	0.8
88.03967	1.0
91.05455	3.8
93.07030	0.8
96.04465	5.9
97.02859	6.9
98.97562	5.5
99.04440	1.1
101.02332	0.8
102.96836	1.6
105.07008	1.1
107.04945	1.0
109.02816	1.2
110.06026	1.8
112.11185	2.0
114.05515	6.2
115.03921	1.2
116.07023	0.8
116.98598	3.8
118.30732	0.9
119.01855	3.7
119.04949	5.1
120.08109	1.1
120.96490	2.5
120.97856	1.1
121.96588	2.7
126.05482	4.3
129.10237	1.1
129.13834	2.5
132.10179	89.5
133.10466	1.3
134.99590	1.6
135.98805	1.2
137.02925	1.2
138.05421	2.0
143.03404	2.2
145.04944	1.0
146.99644	1.3
147.04382	17.7
157.06622	0.9
157.07916	3.6
157.13348	16.7
158.11726	3.4
159.12085	1.7
161.01210	1.2
161.02963	2.9
168.06439	1.5
173.02927	2.3
176.91077	1.0
177.00645	2.3
179.97789	3.5
183.03050	2.7
186.07533	1.4
189.00751	1.0
192.03583	4.9
192.05309	1.3
203.03589	1.7
203.05238	4.7
203.06931	2.2
203.08464	4.8
203.10577	2.6
203.13879	11.2
204.08624	9.8
204.13776	2.1
219.01668	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1276
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	4.3
55.01859	25.3
55.05504	41.8
56.96558	20.7
57.03430	7.8
59.65599	1.9
60.04518	43.3
61.02919	4.6
67.05499	18.9
68.05023	5.9
68.38892	1.8
69.03416	14.2
69.07058	32.0
70.00990	3.3
70.01388	4.8
70.06590	4.7
71.04984	38.5
72.08154	7.3
73.02909	8.1
79.05484	39.1
81.03397	6.0
81.07050	22.2
83.04975	24.2
83.08615	23.3
84.04494	7.1
84.08118	3.7
84.96029	2.3
85.02892	22.6
85.06516	10.9
86.09700	12.3
87.04454	30.3
91.05468	31.2
93.07029	37.4
95.04971	6.1
95.08600	14.4
96.04484	10.1
96.05757	2.1
97.02880	35.4
97.06523	56.8
98.97571	36.2
99.04447	8.8
101.02369	3.0
103.05463	4.9
105.07027	18.9
107.04934	14.5
107.08582	63.8
107.09284	4.0
109.02859	5.4
109.06515	7.8
109.10147	3.9
110.06031	2.5
110.97545	1.9
111.04420	18.2
113.05993	100.0
114.05519	8.0
115.03927	8.9
115.05517	2.4
116.98623	27.9
117.07051	4.4
119.01849	6.9
119.04903	9.8
119.08580	14.0
120.96495	6.8
120.97803	2.4
121.02822	1.9
121.06500	3.6
121.10126	63.7
123.08067	5.5
125.05981	40.3
125.09612	90.1
126.05485	8.1
127.03957	5.9
128.02313	13.2
128.06213	7.4
128.94138	1.9
128.98587	4.7
129.06976	25.0
131.04863	4.3
131.08549	43.8
133.02863	15.8
133.06470	4.3
133.10129	6.2
134.99640	11.6
137.02824	4.8
137.09660	2.3
139.11162	51.2
139.12186	3.3
139.53192	2.1
140.02081	2.2
142.07788	5.5
143.01639	6.0
143.07010	6.3
145.05086	2.8
145.10155	3.0
146.99643	3.1
147.04382	42.0
147.05489	2.9
147.08015	11.7
147.11673	4.0
149.09622	31.5
156.96198	2.2
157.06450	18.6
157.07593	3.4
157.10109	6.7
158.99602	16.2
159.04486	2.1
159.08095	3.2
159.11661	3.1
160.05154	3.8
161.05946	2.8
161.09607	5.2
167.10663	60.4
168.05397	5.8
168.06630	3.9
168.55565	2.6
170.03502	1.9
173.04729	3.7
175.03951	8.2
175.07585	15.2
175.11154	2.8
177.00703	32.0
177.05975	9.1
177.55934	2.2
179.03406	11.7
179.56255	3.0
179.97807	8.0
182.05176	19.2
182.55411	2.9
183.03117	6.6
183.04823	3.2
185.05989	8.5
185.09859	4.9
185.11702	46.8
191.03731	7.3
191.05768	21.3
191.53865	3.4
191.55821	3.7
192.03583	6.4
192.05707	2.4
193.03546	2.5
195.01794	3.1
200.02339	2.4
202.23547	2.0
202.56499	3.6
203.03415	6.6
203.05272	3.9
203.06931	37.0
203.10721	13.7
203.12634	3.8
203.14320	5.5
203.17879	4.5
204.08676	17.6
204.13832	8.8
219.01804	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	203.0698
Annotation	4-Hydroxy-5-methoxy-2-naphthaldehyde
Peak:m/z	Relative Intensity
55.01844	0.3
57.83274	0.1
60.04515	1.2
66.23691	0.1
70.41644	0.3
77.03923	0.1
78.04700	0.2
79.05468	0.1
81.07043	0.1
84.04469	0.2
85.02856	0.1
91.05462	2.0
95.08566	0.1
96.04398	0.1
103.05445	0.6
104.06233	0.6
105.06980	0.5
106.01478	0.1
107.04913	0.1
114.05477	0.1
115.05425	2.3
116.06214	0.2
117.06995	3.5
118.04166	0.1
119.04935	0.1
119.08562	0.8
120.96513	0.1
126.05499	0.2
127.05415	0.5
128.06206	0.2
129.06975	0.6
131.04897	1.8
131.08534	0.1
132.05682	1.5
133.06465	0.3
133.10054	0.1
134.03584	0.2
134.96211	0.1
135.08002	0.2
138.05450	0.1
143.04852	0.3
144.05649	0.4
145.02827	0.6
145.06454	4.5
147.04375	0.3
147.08005	1.2
147.11691	0.1
149.05898	0.1
155.04875	2.0
155.06027	0.7
157.06425	0.2
157.09985	0.1
159.04381	1.1
160.05165	8.6
161.02338	0.1
161.05951	2.0
163.07518	1.6
170.03615	0.7
171.04355	0.4
172.05154	2.7
173.02307	5.4
173.05864	1.1
173.07143	0.2
175.04028	0.2
175.07515	5.1
176.07828	0.1
177.01729	0.1
179.97725	0.1
183.05499	0.6
185.05937	7.6
186.06276	0.1
187.03851	1.6
188.04640	47.9
189.04997	0.8
191.03362	1.1
203.06984	100.0
204.07254	1.6
206.03758	0.1
206.05695	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.0699
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	0.4
63.36103	0.1
69.41268	0.1
78.04691	0.3
91.05467	1.9
98.20720	0.4
103.05451	0.5
104.06251	0.6
105.07023	0.3
107.04959	0.1
115.05441	2.4
116.06235	0.2
117.06204	0.2
117.07005	3.5
119.04940	0.2
119.08554	0.9
127.05397	0.4
128.06178	0.2
129.06966	0.6
131.04898	1.8
132.05701	1.4
133.06435	0.2
135.08008	0.1
143.04886	0.3
144.05690	0.4
145.02820	0.4
145.06462	4.5
145.07594	0.3
145.81912	0.1
146.06873	0.1
147.04361	0.4
147.08022	1.1
149.35052	0.1
155.04878	1.8
155.06032	0.8
157.06483	0.3
159.04405	1.0
160.05176	8.8
161.02391	0.1
161.05983	2.1
163.07520	1.5
167.14804	0.1
170.03661	0.7
171.04393	0.5
172.05183	2.3
173.02316	5.5
173.05890	1.0
173.07155	0.2
174.02669	0.1
175.07513	4.7
177.01851	0.2
180.84596	0.1
183.05516	0.6
185.05960	7.0
186.06271	0.2
187.03877	1.7
188.04659	48.7
189.05023	0.9
191.03358	1.0
199.78587	0.1
203.07001	100.0
204.07336	2.6
206.05661	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.07
Annotation	4-Hydroxy-5-methoxy-2-naphthaldehyde
Peak:m/z	Relative Intensity
54.03495	0.1
55.01847	0.4
55.98391	0.1
60.04510	0.1
69.83913	0.4
69.84346	0.4
78.04715	0.2
79.05447	0.2
91.05460	1.6
93.07064	0.1
93.69598	0.1
103.05434	0.6
104.06260	0.8
105.06996	0.4
115.04656	0.2
115.05437	2.7
115.06245	0.1
116.06237	0.1
117.06998	3.1
118.04160	0.2
119.08572	0.8
125.68748	0.1
127.05419	0.2
128.06190	0.1
129.07001	0.6
131.04895	1.7
132.05692	1.4
133.06506	0.2
135.08061	0.3
143.04895	0.3
144.05676	0.3
145.02811	0.5
145.06464	4.6
147.04311	0.2
147.08037	1.3
155.04872	2.0
155.06033	0.6
157.06526	0.2
159.04382	0.8
160.05168	8.8
161.02322	0.2
161.05931	1.7
163.06311	0.1
163.07559	1.6
164.04552	0.1
164.07854	0.1
170.03603	0.7
171.04346	0.4
172.05157	2.3
173.02312	5.5
173.05884	1.2
173.07130	0.2
174.02641	0.1
175.03789	0.1
175.07516	4.7
183.05544	0.5
185.05954	6.6
186.06265	0.2
187.03874	1.9
188.04654	47.7
189.04982	1.1
191.03345	0.9
203.06995	100.0
204.07326	2.5
206.05704	1.4
213.16620	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	203.0699
Annotation	4-Hydroxy-5-methoxy-2-naphthaldehyde
Peak:m/z	Relative Intensity
55.01848	0.4
56.09212	0.1
60.04497	0.3
68.58773	0.1
69.29023	0.3
69.29441	0.9
78.04722	0.2
79.14166	0.1
81.44716	0.1
90.05801	0.1
91.05466	1.6
94.22705	0.1
96.04414	0.2
103.05440	0.5
104.06223	0.5
105.07022	0.3
107.04899	0.1
115.05438	2.5
116.06255	0.1
117.06200	0.2
117.07000	3.4
119.04921	0.1
119.08557	0.9
121.06501	0.1
127.05422	0.3
128.06194	0.4
129.06978	0.7
131.04906	1.8
132.05710	1.4
133.06454	0.2
134.03627	0.1
135.08009	0.2
143.04832	0.3
143.08543	0.2
144.05646	0.4
145.02815	0.5
145.06462	4.7
145.07590	0.2
146.03612	0.2
147.04364	0.4
147.08006	1.2
155.04880	2.2
155.06029	0.7
155.27490	0.1
157.06396	0.2
159.04376	1.0
160.05165	8.9
161.05960	2.3
163.07507	1.4
170.03625	0.8
171.04408	0.4
172.05157	2.5
173.02319	6.0
173.05911	1.4
173.07201	0.2
174.06569	0.2
175.03955	0.2
175.07518	5.4
177.01765	0.2
183.05511	0.5
185.05949	7.0
186.06322	0.3
187.03856	1.8
188.04646	50.7
189.04993	1.0
191.03320	1.0
203.06990	100.0
204.07323	2.6
204.13797	0.1
206.05719	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.0699
Annotation	3-Hydroxy-5-methyl-1-naphthoate
Peak:m/z	Relative Intensity
53.14439	0.8
55.01859	1.4
55.05492	2.1
57.03426	1.0
60.04515	22.0
66.53691	0.7
67.05462	1.1
68.04975	0.8
69.03409	1.0
69.44642	5.4
70.06564	2.3
79.05469	2.0
80.93831	0.7
81.03410	0.8
81.07047	0.7
83.04926	1.1
83.08586	0.8
84.04466	1.9
84.08115	1.1
85.02865	2.5
86.09668	1.4
91.05466	12.2
93.07012	1.4
95.08594	1.5
96.04481	1.2
97.02910	1.6
97.06529	0.9
99.04449	0.8
99.08038	0.8
103.05435	2.4
105.06994	5.5
107.04944	9.4
107.08556	2.5
109.10120	1.3
111.04437	1.1
112.11238	1.0
114.05485	1.0
115.05412	3.5
117.06994	2.3
119.04915	2.8
119.08556	12.5
120.96505	1.4
121.02841	10.1
121.06429	1.1
121.10068	1.2
126.05505	2.7
128.06198	18.4
129.06982	17.6
131.04887	6.0
131.08527	2.6
132.05673	3.7
133.02864	1.0
133.06483	5.0
133.10103	1.9
139.05412	2.8
141.06937	1.0
142.07744	2.6
143.08572	1.7
144.05667	2.6
145.06465	5.6
145.10036	0.9
147.04384	11.1
147.08020	38.3
147.09206	1.9
147.11659	2.4
155.06042	3.2
157.06453	29.1
157.10094	4.0
159.08006	1.9
159.11673	0.8
160.05170	8.7
161.05939	10.6
161.09584	1.7
162.05467	1.6
175.03888	22.0
175.07515	31.3
175.10992	1.0
179.97810	1.3
185.05942	48.3
185.09512	1.5
185.13199	0.7
188.04665	4.7
188.08270	1.5
203.06993	100.0
203.10652	6.0
203.14194	4.1
203.17908	2.4
204.06741	0.9
204.08661	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	203.0523
Annotation	Unknow
Peak:m/z	Relative Intensity
61.11583	0.9
70.43709	4.9
77.95441	1.0
92.11491	0.9
117.68799	1.0
203.05249	100.0
204.05727	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.0699
Annotation	2,2',3-Trihydroxybiphenyl
Peak:m/z	Relative Intensity
51.47640	0.3
53.03935	1.1
55.01866	1.5
55.05494	0.5
56.96523	0.3
56.98032	0.3
60.04517	4.7
65.03936	0.6
67.05482	0.6
68.04055	0.4
68.05054	0.4
69.03420	1.1
69.07066	0.6
70.36293	0.7
70.36716	1.3
72.17302	0.3
77.03918	0.7
78.04691	1.6
79.05478	5.0
81.07040	0.8
83.01307	1.0
84.04504	0.8
89.03897	0.8
90.04681	0.3
91.05468	49.6
92.05801	0.6
93.07054	0.9
95.04962	1.9
95.08599	1.1
96.04479	0.8
97.02882	1.1
98.21407	0.5
102.04650	0.8
103.05448	6.8
104.06236	5.4
105.03380	2.3
105.06356	0.7
105.07020	6.4
106.04171	0.4
107.04926	1.9
107.08590	0.5
109.10141	0.8
114.05479	0.5
115.05438	91.7
116.06292	7.0
117.07001	62.0
118.04155	1.4
118.07335	1.3
119.04939	1.3
119.08559	3.8
121.02861	2.2
121.06476	1.3
121.10134	0.6
126.05510	1.2
127.05437	2.7
128.06219	2.6
129.06978	3.0
131.04922	4.5
131.08522	2.2
132.05696	6.5
133.06470	2.5
133.10072	0.9
135.08046	1.4
140.79338	0.4
143.04936	1.4
143.08543	1.6
144.05685	1.3
145.06465	37.3
146.03618	1.8
146.07108	1.2
147.04385	1.0
147.08029	10.6
147.11710	1.2
149.09616	0.5
155.04860	0.6
155.05988	3.4
155.08549	0.9
157.06474	2.4
158.07259	1.1
159.08029	0.5
160.05193	4.3
160.08815	1.1
161.05965	9.5
161.09598	9.8
162.06697	0.9
163.06256	0.7
163.07521	6.6
171.08011	1.0
173.05962	29.7
173.09322	0.7
174.06340	0.5
175.07524	67.3
175.10927	2.9
176.07980	1.7
178.06306	0.4
185.05956	6.0
187.07465	0.9
188.08304	9.3
191.06993	4.0
201.06352	0.4
203.07002	100.0
203.10619	21.2
203.14250	5.8
203.17824	1.8
204.07205	3.1
204.08383	0.6
204.08963	0.8
204.11021	0.6
204.13832	0.9
221.08051	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	202.0558
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74532	0.6
53.32747	0.6
54.77187	0.7
55.81891	0.6
71.63013	0.9
82.99813	1.3
98.95676	0.6
101.00182	1.0
101.00852	17.6
101.01478	1.2
116.98717	0.7
118.69672	0.6
119.01902	100.0
120.02013	1.4
124.02441	1.9
132.96700	1.0
137.02937	42.3
138.03056	1.1
142.03481	39.4
143.01938	0.7
143.03658	0.8
160.04539	20.2
161.02936	22.7
161.65758	0.6
165.05083	1.4
178.05629	0.9
179.03983	61.7
184.04570	1.9
202.05573	3.5
224.21223	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	200.0464
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25306	0.4
55.05519	2.2
56.05035	1.3
56.22468	0.4
57.07069	0.6
58.06601	0.6
60.95848	0.4
69.07056	1.9
70.06585	0.5
70.84155	1.3
73.89580	0.4
74.06068	1.8
83.08605	1.5
91.05461	0.8
101.18833	0.4
114.89807	0.4
115.04584	0.6
115.04799	0.6
115.05436	41.4
116.06224	59.9
117.06564	1.5
118.04148	1.2
126.04684	0.5
129.03366	0.7
143.04919	4.7
144.05684	46.8
145.06049	1.5
154.04158	0.5
155.04895	2.0
155.77373	0.5
156.17445	11.2
158.03618	0.8
171.04388	25.0
172.05167	81.9
173.05499	2.0
189.61365	0.5
199.03903	3.6
200.04657	100.0
200.20074	15.0
201.05060	2.7
218.05663	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	200.0402
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87689	0.6
53.03912	0.8
53.07254	0.6
54.98602	0.6
55.01869	1.0
56.05026	3.2
56.96558	11.9
57.03436	2.3
58.53396	0.6
58.99870	0.7
61.01139	0.7
61.02918	2.5
69.03423	1.9
69.55060	4.8
70.06583	1.7
70.98120	0.6
71.95253	1.8
72.08146	1.0
73.02911	3.5
74.02441	1.3
74.06067	1.7
81.03410	0.9
82.01444	2.4
82.06563	1.6
84.04506	1.9
84.08131	1.6
85.02895	5.5
86.06066	1.0
86.09690	1.6
87.04465	1.3
97.02901	2.0
97.06540	0.9
98.97572	100.0
100.02476	9.3
100.07627	0.6
101.00876	4.2
102.02247	1.6
102.05531	3.2
104.01266	0.6
105.02165	0.6
106.64491	0.7
110.01247	1.1
110.07178	0.9
110.97581	2.2
113.00829	3.0
115.02442	0.6
116.98608	90.2
117.01899	1.2
118.03502	5.5
118.96752	1.7
119.01894	24.8
120.02036	1.3
120.03249	1.1
126.00730	5.7
127.01530	2.9
128.02295	0.7
128.07066	2.2
128.98560	2.2
129.10220	0.7
131.01888	38.0
132.01976	0.8
133.01541	0.6
133.03458	6.7
134.02310	0.7
134.99641	57.0
136.02374	0.7
136.06166	12.2
137.01901	0.9
137.02924	10.4
140.00189	2.5
140.02301	1.4
140.98509	0.7
141.00323	0.8
142.03461	0.8
145.03368	0.8
146.02310	1.1
146.99615	1.5
147.03029	0.8
149.01155	1.1
149.02942	23.0
149.04132	1.4
150.03073	0.6
151.04474	3.0
152.02292	0.9
153.00690	9.8
153.96696	0.8
154.03473	27.6
154.08636	0.7
154.12247	1.3
155.02798	2.0
156.01804	1.2
156.05046	4.5
158.01234	6.8
158.99660	2.4
159.01364	2.5
159.05022	1.9
161.01302	0.7
161.02879	1.7
164.03348	0.6
167.52562	0.8
168.01399	0.7
170.03310	1.1
170.99661	1.5
172.02916	1.2
172.04524	14.9
173.02917	3.2
174.06180	3.5
175.98611	0.6
176.02286	1.6
176.98376	1.0
176.99261	0.9
177.00700	7.2
177.02432	23.4
177.98103	1.8
182.02974	12.3
189.00688	1.8
190.05713	0.9
191.03928	5.5
195.00140	0.9
195.01730	5.9
195.03493	11.2
200.04025	53.1
200.12740	2.3
201.00635	0.9
201.02431	9.8
201.04257	1.6
206.30423	0.5
213.72166	0.6
218.05087	22.0
219.01671	1.6
219.03490	17.7
219.05109	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	200.0229
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80321	0.5
50.88991	0.4
55.01864	0.8
56.05018	2.7
56.96556	12.2
57.03433	3.2
61.02922	2.7
69.03411	2.9
69.07054	0.7
69.92398	2.6
70.06580	1.1
71.95249	2.0
72.08138	1.4
73.02900	2.8
74.02415	0.6
74.06072	1.3
81.03414	0.6
84.04501	1.3
84.08129	1.6
84.96024	0.9
85.02900	3.9
86.09702	0.8
87.04454	0.7
97.02853	2.3
98.21382	0.7
98.97571	100.0
99.79681	0.5
99.97844	0.5
100.02468	1.5
100.07599	0.4
101.00868	0.7
102.02240	0.6
102.05525	1.9
104.01342	0.4
105.02139	0.8
106.02843	1.2
109.02876	0.7
110.01290	1.0
110.97577	1.2
112.99098	0.7
115.02527	0.5
115.03364	1.4
116.98605	89.3
118.03507	1.0
118.96742	0.9
119.01880	4.8
120.01987	0.8
120.03275	0.9
125.01819	0.5
126.00739	1.5
127.01512	1.0
127.03927	0.9
128.02338	0.9
128.98602	2.6
129.10248	0.9
131.00194	0.8
131.01894	4.6
133.01604	0.7
133.03413	2.5
134.99641	55.4
136.06168	8.5
137.02937	1.8
137.04533	0.6
140.00195	2.8
140.02261	1.4
140.98643	0.6
143.00233	0.6
144.99829	0.9
146.02298	1.8
146.99635	1.6
147.05113	0.6
147.36488	0.5
149.01167	1.1
149.02908	3.4
151.04482	1.1
152.02220	0.9
153.00694	9.4
154.03465	2.9
155.02773	2.2
158.01244	7.3
158.99657	2.4
159.01205	0.5
161.01215	0.8
161.02843	1.5
163.04208	0.5
168.01392	1.8
170.03436	0.7
170.99667	1.0
172.02985	0.6
172.04506	2.5
176.02312	1.8
177.00684	8.4
177.02409	3.8
182.03099	2.6
182.08038	0.6
183.08511	0.5
189.00700	2.1
189.53772	0.5
191.03886	1.9
195.01743	5.2
195.03525	1.8
199.18880	0.9
200.02240	0.8
200.04053	6.9
200.09059	0.5
201.00710	0.7
211.55301	0.5
218.05031	2.2
218.08620	0.5
219.01627	0.9
219.03520	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.0598
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37641	0.5
53.03933	0.9
53.51619	0.5
53.81081	0.5
55.01855	1.1
55.05500	4.9
56.05028	0.8
56.05823	0.7
56.96552	3.1
57.03420	1.2
57.07056	2.4
57.93550	7.8
65.03922	1.5
67.05480	2.3
69.03403	2.2
69.07053	11.3
70.06580	1.3
70.07368	0.7
70.61292	0.9
70.95853	0.6
71.04971	1.1
71.08646	0.6
72.04487	2.2
72.08134	1.4
72.93753	0.7
72.95889	0.7
73.02903	1.1
74.09284	0.7
74.09704	14.3
74.93793	0.5
75.94591	5.9
78.99920	0.6
79.05468	2.2
81.03406	1.4
81.07030	2.6
83.04973	1.7
83.08612	3.2
84.04485	1.5
84.08138	1.6
84.08943	1.1
85.02889	2.2
85.06521	0.6
86.06049	1.0
86.09691	1.8
86.66892	0.5
89.06042	0.7
91.05473	0.9
93.07024	2.5
93.95631	2.0
95.04951	3.2
95.08576	1.3
97.02866	0.7
97.06499	1.8
97.10144	1.8
98.10500	0.8
98.96151	3.4
98.97563	14.0
98.98180	1.1
99.04410	0.8
100.07052	0.6
100.07591	3.7
102.05528	0.7
107.04937	6.0
107.08581	2.1
109.02847	4.3
109.06528	0.7
109.10130	0.7
110.03638	2.0
110.07133	1.2
111.04426	5.2
111.08079	1.3
111.11687	4.9
113.98387	0.7
115.05492	0.6
116.97200	91.6
116.98499	16.8
118.78705	0.5
121.02845	7.8
121.10123	1.4
123.04385	2.7
125.02384	1.1
125.05993	1.3
125.09636	1.3
126.01123	0.9
126.03109	17.7
129.07086	0.6
131.99522	26.0
132.99268	0.6
134.95839	5.4
134.99631	19.5
135.04369	5.2
135.08055	1.6
135.11638	0.9
135.45587	0.6
136.06166	1.8
136.07571	0.6
138.03087	3.2
139.03868	1.4
139.07452	0.8
139.98743	3.1
140.04645	3.8
141.05435	23.7
148.96172	9.1
148.97661	1.6
149.02312	51.1
150.02654	1.0
150.96913	0.8
152.96886	30.7
153.00679	5.5
153.05429	21.1
153.09079	1.6
153.96692	0.9
154.08615	0.7
155.01143	1.0
155.07021	1.5
157.97450	6.3
158.01210	2.8
158.99661	0.7
163.03870	9.4
163.11166	0.7
167.04697	1.7
170.97934	8.7
175.98492	100.0
176.98524	1.8
177.00708	1.8
181.04922	16.9
181.06482	0.9
181.08490	1.2
181.12039	0.7
182.08002	2.8
184.07431	0.7
189.00587	0.6
193.99538	2.9
195.01772	1.1
199.00153	5.5
199.04108	1.0
199.05994	6.6
199.07535	1.2
199.18866	64.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	200.0227
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96555	8.1
57.07057	0.7
57.98947	0.5
64.40342	0.5
71.07361	1.3
71.95235	1.6
86.06339	0.6
98.97569	100.0
100.76600	0.6
101.69054	0.5
116.98602	92.5
119.01881	0.6
124.82745	0.6
134.99635	56.2
140.00162	3.3
153.00693	9.0
158.01245	6.5
176.02299	1.4
177.00717	5.8
195.01740	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	198.0073
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.9
55.05506	2.8
56.96556	39.0
57.03434	0.6
57.07084	1.4
58.99872	0.9
60.08179	0.5
61.02915	2.3
67.05511	0.5
69.03428	1.0
69.07061	2.3
69.52414	0.4
69.99071	2.1
70.06603	0.7
70.95869	0.6
70.99862	0.5
71.04983	0.6
71.08646	0.5
72.93796	0.7
73.02921	0.7
74.06104	0.5
77.00895	0.6
79.05505	0.4
81.03436	0.4
81.07068	0.6
82.01463	1.2
83.05001	0.8
83.08609	2.8
84.01600	0.4
85.01439	0.8
85.02890	3.0
86.06108	0.4
87.23486	0.4
93.07039	0.4
95.06064	2.8
95.08603	0.6
96.08143	0.4
97.02869	0.7
97.10170	0.9
98.03981	0.8
98.21403	0.6
98.84656	0.4
98.97579	2.1
100.02462	6.9
100.03034	0.5
100.07624	0.6
101.00882	0.9
103.02426	4.9
105.04766	0.5
107.04967	0.8
109.02920	0.5
110.02151	0.5
110.97549	10.9
114.09225	0.6
115.02454	0.5
116.97243	2.6
116.98624	1.2
117.01926	0.4
118.03505	4.6
119.01909	4.3
119.02688	0.9
121.03490	3.8
124.01879	0.5
125.02616	1.1
125.52756	0.4
126.04021	0.8
127.03933	0.8
128.98587	19.7
131.01883	1.7
131.02744	0.6
131.99519	1.2
132.00661	0.5
132.05101	0.4
132.95802	0.9
133.03442	2.1
133.95995	0.5
134.99696	0.8
137.02811	1.7
138.03401	2.0
138.53494	0.7
141.01268	0.5
142.96475	0.8
144.05035	1.6
145.03365	0.5
145.04945	0.9
146.51515	0.7
146.99634	15.8
147.01328	2.7
147.03943	5.4
147.05055	1.0
147.54092	0.7
149.01225	0.6
149.02896	0.9
150.96867	1.3
151.04295	0.5
151.24503	0.4
151.97089	1.3
152.01868	0.7
152.96873	0.6
153.03934	0.6
154.03470	1.1
154.04639	0.4
154.13368	0.7
155.97403	0.6
156.98064	6.3
158.54674	0.8
159.05055	0.4
160.04712	0.7
160.97551	0.5
161.02962	0.5
165.00697	2.8
170.01492	0.8
170.02962	7.3
170.06653	0.9
173.98563	0.4
174.99124	55.0
175.98473	2.8
177.02348	0.7
178.04878	0.5
180.06519	0.4
181.02533	1.5
190.98611	0.4
192.01755	0.5
193.00183	100.0
194.00575	0.9
195.00604	0.5
198.00642	2.2
198.02423	0.8
198.06088	0.5
198.18503	57.8
211.01233	8.7
216.01772	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	197.117
Annotation	Tschimganical A
Peak:m/z	Relative Intensity
51.39423	0.8
55.01868	1.1
55.05513	2.4
55.93539	1.1
57.07066	1.0
59.04996	1.2
67.05489	2.5
69.03423	1.3
69.07075	1.2
69.84430	1.9
69.84844	2.6
70.95855	12.8
72.93781	5.6
79.02244	0.7
79.05489	5.1
80.75021	0.7
81.07045	4.2
83.04997	0.9
83.08584	1.2
88.96908	2.4
90.94800	1.0
91.05463	11.9
93.07030	10.3
95.04955	2.8
95.08585	3.1
97.06510	1.1
99.04494	1.0
100.07606	0.9
105.03403	3.1
105.07024	18.7
107.08582	100.0
108.08941	1.1
108.79530	0.8
109.06489	5.5
109.10147	7.0
111.08083	1.0
111.98462	13.5
113.96386	2.4
114.94758	1.2
119.04969	1.0
119.06087	1.1
119.08565	7.6
121.06486	2.9
121.10142	4.6
123.04426	0.7
123.08086	1.2
123.11671	2.0
125.05963	1.3
128.06157	1.1
129.99486	8.8
131.08531	2.1
131.97418	0.9
132.95813	23.4
133.10115	56.4
134.10454	1.5
135.11688	15.0
137.05945	4.1
137.09599	3.2
139.07503	1.6
143.08629	1.0
146.07220	1.5
149.09595	1.9
150.96873	41.1
151.03874	2.6
151.07532	0.9
151.11157	9.4
153.01085	0.9
155.97403	20.1
156.97659	0.8
161.09604	18.8
167.10672	8.5
168.97885	1.9
173.98474	38.9
174.98801	1.3
179.10648	33.1
180.10919	1.2
180.44292	0.7
191.99483	1.1
197.00114	2.3
197.11702	80.2
198.12009	2.0
198.18504	26.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	196.0367
Annotation	Unknow
Peak:m/z	Relative Intensity
57.19392	21.8
69.77258	51.6
69.77687	100.0
119.01870	32.5
131.01865	35.4
133.03448	34.3
136.03709	29.6
155.01904	25.4
173.02916	70.1
195.07076	34.0
196.09555	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	195.1378
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
53.03929	4.0
55.01855	4.0
55.05503	15.5
57.03429	5.8
57.07069	2.0
65.03916	2.2
67.05498	60.9
68.96312	1.3
69.06716	1.5
69.07059	20.4
70.46169	3.0
70.51478	0.9
70.94234	1.4
71.01337	1.5
71.04988	5.6
72.12090	0.9
72.93766	1.4
73.02911	1.3
79.05484	37.5
80.05804	1.2
81.03414	6.5
81.07050	100.0
82.07385	1.3
83.04979	11.5
83.08608	12.6
84.08133	1.4
85.06525	3.7
88.18986	0.9
89.03901	5.9
89.06025	5.2
90.94806	0.9
91.05471	23.2
93.07030	58.6
95.04964	8.6
95.08598	37.3
97.06521	12.3
97.10136	2.2
98.06044	0.9
98.85980	0.9
99.08070	3.0
100.02470	1.0
103.05442	1.3
105.04507	1.2
105.07014	9.7
107.04940	2.5
107.08578	28.3
109.06499	3.1
109.10127	3.7
109.98910	2.3
111.04454	1.5
111.08067	8.0
113.05962	1.0
113.09636	1.0
113.96380	2.3
117.03366	11.6
117.07003	10.5
118.03596	1.0
118.89891	1.0
119.08556	2.7
121.06488	5.4
121.10123	13.3
123.08074	1.0
123.11684	1.0
125.05967	1.3
129.06955	1.2
130.96284	2.2
131.08548	12.2
131.96135	2.1
131.97415	3.7
133.02812	3.4
133.10107	15.6
134.03615	1.4
135.04407	5.9
135.08034	5.5
135.11681	27.6
138.06572	1.3
139.03754	1.0
139.07576	1.2
145.02821	24.0
146.03169	1.2
147.11647	1.0
148.97360	4.4
149.05972	9.8
149.09618	2.9
149.13252	28.0
149.97188	7.0
151.11165	2.7
151.58475	0.9
153.97887	3.8
154.97787	1.2
159.11681	15.1
163.03891	46.8
164.04201	1.3
167.07056	1.4
167.08582	1.2
171.99017	5.1
172.00281	1.2
172.98785	3.4
174.42651	0.9
177.05452	41.8
177.12720	16.4
177.16339	3.3
178.05811	1.7
180.03629	1.3
186.05460	2.0
195.02893	5.1
195.06517	9.4
195.08279	1.6
195.10165	1.7
195.11952	1.6
195.13799	23.0
195.15688	2.2
196.17010	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1378
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
53.03930	3.3
55.01859	3.7
55.05500	14.0
56.96550	1.1
57.03426	5.0
57.07064	3.0
59.09028	0.9
65.03917	2.2
67.05494	60.3
68.96317	2.6
69.03414	2.2
69.07057	19.8
69.96123	1.0
71.01344	1.4
71.04976	4.7
71.35896	1.9
71.94090	1.3
71.95276	1.0
72.93781	2.9
79.05481	36.4
81.03403	6.4
81.07044	100.0
83.04974	11.1
83.05453	1.4
83.08614	11.2
85.06522	4.7
89.03919	4.2
89.05994	4.7
91.05466	23.3
93.07030	59.6
95.04954	8.7
95.08591	37.3
95.32804	1.2
96.08243	0.9
97.06510	14.8
97.10133	2.3
99.04433	1.2
99.08080	2.7
105.07012	9.0
107.04945	2.9
107.08579	30.1
109.06493	3.0
109.10143	3.4
109.98930	2.0
111.08073	5.4
113.09636	2.2
113.96393	3.3
117.03363	6.9
117.06998	11.0
119.08576	3.5
121.06488	5.6
121.10139	12.5
123.08044	2.1
123.11676	2.0
125.06039	2.0
126.47676	1.1
127.99936	1.1
130.96269	2.3
131.08551	12.5
131.96140	3.4
131.97432	3.6
133.02846	4.3
133.08556	1.5
133.10103	17.9
134.03615	1.1
135.04407	6.2
135.08043	4.3
135.11671	29.6
135.12694	1.7
137.13210	1.1
138.06586	1.6
139.07607	1.5
145.02837	15.2
148.97331	8.1
149.05940	9.9
149.09610	2.7
149.13235	27.0
149.97159	12.1
150.13533	1.4
151.11188	2.4
153.12706	0.9
153.97878	4.4
154.97726	2.5
159.11662	20.8
163.03886	54.4
164.04300	1.7
167.07037	2.9
168.90964	1.1
171.98941	5.5
172.98776	6.0
177.05449	26.1
177.12717	13.3
177.16393	4.0
178.05853	1.5
195.00867	1.1
195.02893	8.1
195.06531	10.1
195.08662	2.0
195.10219	2.3
195.13806	20.8
195.15720	3.2
196.17030	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1377
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
53.03930	2.1
55.01862	2.5
55.05505	10.5
57.03424	4.6
57.07061	3.9
62.69534	0.9
63.11599	0.9
65.03939	1.9
66.50363	1.0
67.05499	11.4
68.96312	2.9
69.03415	3.0
69.07059	15.1
69.20055	0.8
70.94246	1.9
71.02113	1.6
71.02427	1.3
71.04983	6.2
71.71296	1.0
72.93776	2.8
72.95960	1.1
77.03907	1.5
79.05481	23.9
81.03404	4.0
81.07043	28.1
83.04956	2.9
83.08601	5.8
84.08118	1.2
85.06523	1.2
89.03869	2.3
89.06046	5.0
91.04945	1.8
91.05467	13.7
93.07030	43.7
95.04966	5.7
95.08582	13.2
97.06529	2.0
99.08087	1.5
105.04506	1.5
105.07022	10.2
107.04932	4.7
107.07027	1.4
107.08581	25.9
109.06494	5.1
109.10147	2.0
109.98927	3.1
111.08062	2.1
113.96387	4.6
115.05444	1.2
117.03355	6.0
117.06976	7.6
119.08581	7.7
121.06469	7.8
121.10125	10.8
123.08111	5.1
125.06013	2.7
127.99936	1.7
129.07004	1.7
130.96283	3.6
131.08553	10.7
131.96130	3.9
131.97429	3.7
133.02834	7.2
133.06506	6.0
133.10123	4.4
135.04390	8.4
135.08046	5.0
135.11688	14.2
137.09596	1.3
139.07561	1.4
145.02809	14.0
148.97339	8.9
149.05977	11.4
149.13246	23.5
149.97171	7.5
152.04785	1.1
153.09155	2.4
153.97858	3.0
154.97729	2.3
159.11662	9.2
163.03888	100.0
164.04237	2.9
167.07013	2.9
167.98174	1.4
171.98911	8.4
172.98827	4.8
177.05453	30.5
177.12753	8.7
177.16418	4.0
178.05757	1.2
186.05548	1.0
187.69177	1.1
195.01271	1.2
195.02808	5.3
195.06506	11.7
195.08202	1.8
195.10265	1.5
195.12093	1.6
195.13809	5.1
195.15572	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1377
Annotation	Norbisabolide
Peak:m/z	Relative Intensity
52.27925	0.7
53.03936	2.5
55.05497	1.7
57.03431	1.6
59.04999	1.6
65.03919	2.1
67.05497	19.0
69.07059	5.7
69.41478	3.4
69.41906	4.7
79.05480	100.0
80.05815	1.0
81.07046	34.5
83.04972	3.7
88.35972	0.8
91.05455	6.4
93.03400	2.8
93.07030	25.9
95.04964	3.2
95.08596	3.4
97.05894	1.9
97.06519	33.6
105.07016	3.0
107.04942	6.0
107.08581	14.7
111.04432	15.3
111.08071	1.2
117.07002	3.2
119.08585	3.0
121.06500	1.2
121.10123	7.1
125.05974	51.4
131.08607	1.0
133.10139	3.1
135.08098	1.1
135.11665	8.0
139.07512	2.1
143.07011	0.9
147.11693	0.9
149.13239	73.6
150.13579	1.6
159.11668	7.7
177.11171	1.7
177.12727	35.7
195.13786	22.7
196.14166	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1377
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
51.02360	0.6
53.03947	2.5
53.04170	0.4
55.01863	3.7
55.05502	17.9
57.03431	5.7
57.07064	1.9
59.04999	0.7
61.63202	0.5
62.94949	0.4
64.36439	0.5
65.03525	0.4
65.03943	2.1
67.05494	69.3
68.05822	1.1
69.03422	1.2
69.07058	19.8
70.71824	0.7
70.72150	1.1
71.01349	1.8
71.04976	5.9
73.02902	0.9
79.05480	41.3
80.05836	0.6
81.02922	0.4
81.03401	10.7
81.07043	100.0
82.07394	0.9
83.04963	10.2
83.08602	14.0
85.02889	1.1
85.06522	3.8
87.04476	0.8
89.06034	1.0
91.05466	35.8
93.07028	58.1
94.07341	1.0
95.04953	7.1
95.08591	29.8
96.08910	0.6
97.06519	11.4
97.10155	1.5
99.08069	2.6
103.05476	1.1
105.04529	1.2
105.06364	1.0
105.07014	10.9
105.07668	0.9
107.04932	1.4
107.08578	29.5
109.06487	3.0
109.10136	3.1
111.08061	6.1
112.03501	0.5
113.06033	1.0
113.09606	0.9
115.05446	0.8
117.03324	1.0
117.06992	12.7
119.08552	2.6
121.06494	4.7
121.10126	11.0
123.08080	1.1
123.11693	2.9
125.06065	0.5
129.06934	0.7
130.07738	0.7
131.08546	13.9
131.97382	0.8
133.02872	0.7
133.06465	1.8
133.10110	26.2
134.10507	0.8
135.04410	1.0
135.08041	4.2
135.11665	29.0
136.12035	0.8
139.07536	0.6
145.02803	2.3
147.11656	1.9
148.97328	0.6
149.05951	1.8
149.09618	1.5
149.13239	23.3
149.97173	0.9
151.11180	4.5
153.09062	0.9
156.87314	0.5
159.11671	17.9
159.13000	0.9
163.03883	14.9
171.98801	0.8
177.05437	4.8
177.12723	11.4
177.16199	0.5
195.02800	1.3
195.06464	1.6
195.11940	1.2
195.13766	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	195.1377
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
53.03942	2.9
55.01866	2.2
55.05252	1.3
55.05505	17.1
55.65060	0.6
57.03431	5.8
57.07058	2.3
58.42628	0.5
58.86143	0.6
58.87770	0.5
59.05001	0.7
60.23571	0.6
65.03929	2.1
65.46385	0.7
67.05494	70.0
68.05830	1.0
69.03418	1.4
69.07057	19.3
71.01346	1.4
71.04985	5.5
71.35948	1.4
71.36282	0.7
73.02876	1.0
77.03956	0.6
79.05481	40.6
80.05841	0.9
81.03411	10.8
81.07044	100.0
82.07387	1.9
83.04967	10.4
83.08611	12.1
85.02892	0.9
85.06529	4.8
89.06017	0.7
90.94897	0.6
91.04881	1.2
91.05466	33.6
93.07029	59.2
94.07333	1.0
95.04966	8.4
95.08595	31.1
96.40015	0.7
97.06506	10.5
99.08080	2.0
103.05455	0.6
105.04507	0.8
105.07018	11.4
106.37238	0.6
107.04952	2.2
107.08578	27.5
108.08902	0.6
109.06490	2.8
109.10163	3.1
109.10821	0.8
111.08063	5.1
113.09601	1.2
115.05434	1.0
117.06998	12.0
119.08575	2.4
121.06509	5.4
121.10123	9.6
123.08067	1.3
123.11700	3.7
125.09522	1.0
127.07515	0.8
131.07567	1.1
131.08551	17.0
133.02840	1.7
133.10109	26.5
134.10486	1.1
135.04414	2.3
135.08063	4.7
135.11671	24.6
135.12692	1.4
136.12042	0.7
139.11176	0.9
145.02834	2.0
146.38756	0.6
147.11613	1.2
148.97362	0.8
149.05962	1.7
149.09738	1.2
149.13229	23.6
151.11176	3.4
153.09059	0.9
159.11671	16.4
163.03880	23.3
164.04153	0.9
167.06987	1.1
171.98941	0.7
177.05489	4.2
177.12749	10.7
177.16302	0.9
195.06516	1.8
195.10153	1.0
195.11986	1.5
195.13771	22.9
196.14153	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1375
Annotation	Norbisabolide
Peak:m/z	Relative Intensity
53.03935	4.5
55.01849	3.0
55.05502	18.0
57.03423	5.2
57.07057	3.7
59.04993	1.2
65.03918	3.6
67.05492	65.1
68.96321	3.8
69.03410	2.6
69.07051	20.4
69.55361	7.9
69.55780	2.7
70.94237	1.3
71.01313	2.0
71.04980	11.8
72.93795	1.8
79.05481	45.2
81.03402	7.7
81.07043	100.0
81.90529	1.1
82.07396	1.8
83.04962	8.6
83.08604	18.6
84.08128	2.8
85.02871	2.1
85.06531	7.5
86.97353	1.3
87.04424	1.3
89.03912	2.8
89.05993	6.1
90.94855	1.6
91.05464	34.6
93.07024	64.3
95.04930	7.7
95.08591	36.8
97.06513	8.9
97.10136	2.3
99.04427	1.3
99.08080	4.0
102.71387	1.2
103.05434	1.5
105.07016	12.4
107.04939	3.8
107.07847	2.2
107.08579	39.6
109.06499	3.9
109.10145	4.9
109.98907	4.7
111.04433	2.1
111.08071	8.5
113.96357	2.8
117.03336	9.2
117.06992	12.3
119.08540	4.1
121.06500	8.5
121.10126	14.9
123.08057	1.5
123.11685	4.5
125.05982	5.2
125.09570	1.7
127.99937	3.0
130.96295	5.1
131.08553	11.4
131.96130	3.0
131.97411	3.8
133.10103	28.3
133.11064	2.0
134.03651	1.3
135.04451	3.3
135.08069	7.3
135.11664	34.2
136.12030	1.4
139.03877	1.9
139.07431	2.5
145.02812	15.5
147.76436	1.3
148.97351	9.2
149.05959	14.8
149.09544	2.7
149.13239	50.9
149.97202	4.4
151.03897	1.2
151.11140	4.7
153.09206	1.4
153.97841	6.2
159.11665	18.0
163.03883	15.5
167.06992	4.8
167.08432	1.7
167.14249	6.1
171.98955	10.8
172.98769	3.7
177.05443	38.7
177.08966	1.8
177.12733	19.3
177.16324	8.5
178.05794	1.9
195.02870	5.6
195.06485	14.1
195.08348	3.3
195.10175	3.6
195.11890	1.5
195.13776	33.8
195.15645	3.1
195.17461	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	195.1378
Annotation	Norbisabolide
Peak:m/z	Relative Intensity
51.53598	0.5
51.85463	0.6
53.03937	2.1
55.01860	1.4
55.05501	9.1
55.56922	0.6
56.96552	1.0
57.03424	0.9
57.07069	4.2
65.03908	0.7
65.86227	0.6
67.05499	29.1
68.96318	2.1
68.99786	0.9
69.03420	0.8
69.07063	12.2
70.74940	2.1
70.94254	0.7
71.04990	1.3
71.08623	1.2
71.27161	0.5
72.93766	1.0
74.66639	0.6
79.05485	24.8
81.07047	50.7
82.07372	0.7
83.04966	2.2
83.08611	16.6
84.08128	0.8
85.02895	0.8
85.06532	6.6
89.03909	2.1
89.06015	4.2
91.05470	11.8
93.07031	57.4
94.07370	1.2
95.04958	5.2
95.08598	18.3
97.06532	4.4
97.10157	0.8
105.07006	3.1
107.04943	2.8
107.08581	34.7
109.06499	1.8
109.10143	2.9
109.98920	2.3
111.04438	2.7
111.08067	9.0
113.96395	1.4
117.03345	6.2
117.07017	2.3
119.08560	2.5
121.06516	4.6
121.10125	12.9
123.08073	0.7
123.11668	0.7
125.06006	3.2
125.09590	1.1
127.99960	1.1
130.18489	0.6
130.96263	2.6
131.08531	2.7
131.96193	1.5
131.97420	1.8
133.10104	3.2
134.03665	1.0
135.04414	2.5
135.08054	4.6
135.11684	9.6
137.09564	0.7
137.13171	0.6
138.06628	0.8
139.03911	8.6
139.07516	10.0
141.09042	0.8
145.02840	10.4
147.11673	1.1
148.97311	5.2
149.05962	12.3
149.13242	100.0
149.97224	2.6
150.13564	2.4
150.47038	0.7
153.03879	0.8
153.09053	1.1
153.97856	2.9
154.97801	0.7
159.11667	7.5
163.03882	9.2
163.07492	1.0
167.07019	2.9
167.14301	1.5
171.98930	5.0
172.98837	1.6
174.04375	1.2
177.05446	31.4
177.09038	1.4
177.12730	15.2
177.16417	2.4
178.05714	0.9
182.21997	0.6
195.02896	2.8
195.06511	13.3
195.08475	1.5
195.10255	4.1
195.11937	1.1
195.13797	16.1
195.15570	1.1
195.17432	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1013
Annotation	gamma-Methoxyisoeugenol
Peak:m/z	Relative Intensity
53.03940	1.2
55.01871	1.7
55.05494	0.9
57.03435	0.6
65.03915	0.5
67.05495	1.5
68.96322	0.6
68.99797	1.2
69.03423	1.0
69.07063	1.0
71.02319	1.0
71.04979	0.4
77.03936	0.5
78.04686	0.8
79.05481	11.8
81.07047	2.0
83.04979	0.5
84.08127	0.4
89.03900	3.3
89.06009	1.1
91.05464	7.4
93.03393	0.4
93.07026	2.6
95.04960	4.8
95.08588	0.5
97.02872	0.4
97.06532	0.6
102.04689	0.4
103.05450	10.1
105.03396	0.5
105.07014	12.4
106.04103	0.6
106.07324	0.5
107.04937	100.0
107.08580	3.0
108.05285	1.0
109.06525	1.4
109.10169	0.6
109.98902	0.9
110.03693	0.7
110.07196	0.3
111.04432	1.1
113.96327	0.4
115.05438	7.2
116.06211	0.6
117.03355	7.5
117.07017	2.6
119.04935	1.1
119.08590	0.4
120.05692	2.9
120.49493	0.4
121.02821	0.3
121.06463	2.6
121.10120	1.9
122.03644	0.4
123.04411	2.0
124.05154	1.8
125.05997	2.7
127.99971	0.7
130.96295	1.6
131.01868	0.4
131.04947	1.3
131.08540	0.7
133.02809	0.9
133.04968	1.6
133.06461	1.1
134.03587	1.6
135.03511	0.4
135.04417	2.2
135.08031	25.3
135.11700	1.2
136.08411	0.4
137.05956	1.7
137.09610	1.8
138.06619	0.7
139.03902	1.4
139.04889	0.5
139.07509	0.5
140.04631	0.4
142.05476	0.4
145.02815	15.3
145.06485	0.5
145.07581	1.7
147.04376	2.0
148.05167	1.0
148.97357	2.9
149.05954	10.9
149.09598	0.9
149.13268	0.7
149.97211	0.5
151.03915	1.2
152.04662	1.1
153.05487	0.5
153.97862	1.8
154.06250	6.0
159.11711	0.7
161.03004	0.5
161.05910	0.4
162.03085	0.5
163.03882	5.2
163.07516	39.4
164.08105	1.1
165.05455	1.6
165.06769	0.4
167.07016	41.4
168.07346	1.0
171.98927	2.4
175.05994	1.4
177.05444	28.9
177.09045	0.9
177.12672	0.9
177.16350	1.3
178.05861	0.8
180.07764	7.0
183.04996	0.4
184.06534	0.6
195.02907	1.2
195.06519	9.3
195.10139	56.0
196.10468	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0649
Annotation	Dimethyl phthalate
Peak:m/z	Relative Intensity
53.03924	1.0
57.07051	0.6
67.05479	0.7
69.07051	0.5
70.86820	0.9
77.03916	0.3
78.05047	0.3
79.05472	2.4
81.07044	1.7
85.06523	0.8
89.03874	0.3
89.05992	0.5
90.10600	0.3
91.05417	0.3
92.02573	0.3
93.07007	1.0
95.04955	2.4
95.08596	0.8
97.06517	0.3
105.03366	0.7
105.04475	0.4
105.07001	0.3
107.04970	0.5
107.08575	0.8
109.10120	0.3
111.08049	0.3
113.96438	0.3
117.03326	0.6
121.10093	0.5
130.96292	0.3
131.08522	0.2
133.02832	8.0
135.04396	7.5
135.08078	0.6
135.11714	0.4
137.09648	0.2
145.02800	0.8
148.97327	1.0
149.05966	1.0
149.13263	0.7
153.97876	0.4
157.86118	0.3
163.03873	100.0
164.04257	1.2
171.98938	0.6
174.55524	0.2
177.05424	2.6
177.12747	0.3
177.16359	0.6
195.02869	0.7
195.06494	1.5
195.13763	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0649
Annotation	Isoferulic acid
Peak:m/z	Relative Intensity
53.03924	0.7
55.01861	1.0
64.88550	0.6
65.03931	0.6
67.05493	1.3
68.96301	1.4
68.99776	6.8
69.96432	2.6
69.96854	1.4
70.27480	0.7
70.51575	0.7
77.03913	0.7
79.05474	2.7
81.07049	9.5
83.04951	0.6
83.08623	0.6
89.06018	0.7
91.05463	1.8
93.07037	4.8
95.04919	1.0
95.08572	1.0
97.06530	0.7
103.05450	2.6
105.07024	1.1
105.24763	0.5
107.04923	5.0
107.08554	1.9
112.85102	0.7
121.06476	11.1
121.10123	1.5
125.05969	11.1
130.96297	0.7
131.04895	1.7
135.04375	1.6
135.11636	1.0
145.02795	1.9
148.97316	2.1
149.05957	73.4
150.06299	0.8
153.08986	1.0
153.97871	1.0
159.04326	0.8
159.11792	0.7
163.03845	2.6
167.07016	18.9
171.98911	1.8
177.05440	100.0
177.12708	1.1
177.16321	0.7
178.05811	1.5
195.06497	78.1
195.15681	0.7
196.06808	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.065
Annotation	trans-4-Hydroxy-3-methoxycinnamate
Peak:m/z	Relative Intensity
50.52934	0.6
53.84708	0.6
55.01849	1.2
67.21908	0.6
68.99774	5.3
69.47921	0.8
69.48326	4.4
72.79048	0.6
75.64971	0.6
79.05458	1.1
80.75719	0.6
81.07048	7.3
91.05466	1.6
93.07011	3.0
95.04953	1.3
95.08561	0.7
98.20705	1.1
103.05460	3.6
107.04932	4.5
117.03374	1.7
121.06497	10.7
125.05969	10.6
127.82452	0.7
131.04889	2.0
135.04369	2.4
135.11719	0.8
145.02827	2.7
148.97342	1.5
149.05959	74.4
150.06288	1.0
163.03871	1.2
163.71584	0.6
167.07018	22.8
171.98952	0.8
177.05443	100.0
177.12773	0.9
178.05838	2.9
195.06502	76.8
196.06931	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.065
Annotation	trans-4-Hydroxy-3-methoxycinnamate
Peak:m/z	Relative Intensity
55.01883	0.5
58.40659	0.4
67.73673	0.4
68.62569	0.5
68.99780	8.6
70.77326	1.3
79.05499	1.1
81.07045	7.4
81.10860	0.5
91.05476	1.6
93.07027	2.8
103.05445	4.0
107.04935	5.0
114.81534	0.5
119.19019	0.5
121.06496	12.6
125.05977	10.8
131.04915	1.6
135.04362	1.2
149.05965	77.7
150.06282	1.6
158.74889	0.5
167.03354	0.5
167.07025	20.3
177.05450	100.0
178.05801	1.9
179.65996	0.4
195.06509	78.1
196.06854	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.065
Annotation	trans-4-Hydroxy-3-methoxycinnamate
Peak:m/z	Relative Intensity
54.72892	0.3
55.01860	0.6
67.33258	0.4
68.45378	0.4
68.99778	5.8
69.00116	0.6
71.01347	0.3
71.14417	0.7
79.05476	0.7
80.54078	0.3
81.07048	6.0
91.05480	1.0
93.07028	1.8
95.04962	0.4
103.05466	2.9
107.04932	3.7
114.08823	0.3
121.06486	11.2
125.05974	9.6
125.06831	0.7
128.16530	0.4
131.04909	1.1
135.04407	1.2
149.05959	65.4
150.06320	1.2
167.07018	17.5
177.05444	100.0
177.52113	0.3
178.05833	2.1
195.06502	78.4
196.06862	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	194.9667
Annotation	Unknow
Peak:m/z	Relative Intensity
58.79587	4.7
61.41093	4.5
66.04509	4.4
67.59305	4.6
70.61624	18.1
83.71649	4.7
92.56905	5.0
112.89590	100.0
116.89024	6.0
166.74338	4.8
173.32591	5.0
194.96652	32.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	194.9454
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51297	11.1
56.44657	11.9
69.53852	52.8
69.54279	52.7
76.43215	11.4
84.08152	13.0
94.13535	11.0
94.92992	100.0
131.01839	12.5
132.20863	14.6
142.07990	11.2
156.58363	11.9
160.78439	12.1
162.63084	10.9
194.94539	85.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1584
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
55.05499	11.7
57.07063	2.0
59.04989	2.4
67.05497	8.7
68.01180	1.2
69.07056	31.3
71.04984	16.1
71.08040	3.1
79.05478	7.9
81.07040	21.5
83.04947	1.9
83.08611	2.8
85.06543	9.5
91.05463	7.0
93.07025	29.1
94.14124	1.2
95.04953	27.7
95.08045	1.8
95.08593	22.8
97.06490	4.6
97.10148	11.5
99.08073	5.1
103.05430	3.0
105.07012	28.7
107.08572	32.2
109.06496	100.0
109.10130	20.4
109.29432	1.1
109.65412	1.2
110.06128	1.1
110.06835	1.8
111.08032	6.8
111.11689	4.0
112.68063	1.2
115.05422	3.0
115.40894	1.1
118.04162	1.8
119.07780	2.0
119.08565	27.2
121.10124	8.3
122.10632	1.1
123.08025	4.1
123.11678	23.4
133.02805	1.3
133.06476	14.1
133.10106	24.7
133.23039	1.3
135.11658	41.2
137.05959	2.3
137.09576	15.8
147.11642	4.5
149.05905	1.2
149.13245	12.7
151.11145	3.4
161.05962	19.5
175.13242	2.6
175.14784	48.3
178.02579	1.7
193.04921	5.1
193.15845	85.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1584
Annotation	beta-Ionone
Peak:m/z	Relative Intensity
52.72001	0.7
53.03908	0.7
55.01848	1.9
55.05499	22.1
57.03424	0.7
57.07069	5.9
59.04976	2.9
59.59486	0.7
65.03917	1.4
67.05493	24.7
69.03413	12.5
69.07055	15.9
70.04105	2.4
71.04978	4.4
71.08616	1.4
72.80020	0.7
73.06567	0.9
75.84415	0.6
79.05473	12.2
80.96997	0.7
81.02959	1.1
81.03397	11.0
81.07040	31.2
81.97352	0.7
83.04964	30.0
83.08604	10.6
85.06525	5.8
87.04417	1.6
87.08087	1.4
91.04947	1.2
91.05460	14.0
93.06464	1.0
93.07027	16.5
95.04948	7.7
95.08586	39.6
97.06516	3.6
97.10144	3.6
98.06087	0.7
99.08087	1.8
103.05436	1.2
105.07008	21.7
107.04913	2.3
107.08576	34.6
109.05770	1.6
109.06496	21.1
109.10136	68.8
110.10465	1.2
111.04459	0.9
111.08048	8.1
115.05450	0.9
117.06961	1.6
119.08557	41.8
120.08865	1.0
121.10119	26.1
123.08039	36.0
123.11665	10.5
125.09581	2.2
127.12785	0.8
129.06960	3.0
131.08546	6.2
133.02829	3.1
133.06450	3.9
133.10103	47.1
135.08051	1.3
135.11667	62.1
136.07416	0.9
136.11987	1.2
137.05923	1.4
137.09581	29.9
137.13191	1.0
138.10356	5.6
142.07732	1.2
145.10185	1.0
146.97423	1.7
147.08018	2.0
147.10619	1.1
147.11658	9.8
149.09593	5.2
149.13226	15.0
150.13687	1.0
151.11162	13.4
151.14778	10.3
157.10069	5.2
161.05914	4.3
165.12685	2.0
165.16331	4.6
169.99016	1.1
175.11192	9.0
175.14789	37.3
176.15250	1.0
178.02574	2.2
193.04913	9.7
193.08527	1.9
193.12210	15.8
193.15845	100.0
194.16167	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	193.1584
Annotation	beta-Ionone
Peak:m/z	Relative Intensity
53.03934	2.4
53.18822	1.9
55.01859	3.5
55.05501	25.3
56.96547	2.9
57.03420	2.4
57.07050	5.6
59.04988	4.3
59.22038	1.8
67.05492	25.8
69.03416	14.3
69.07055	13.9
71.04971	6.4
71.07432	3.7
71.07784	2.9
71.08628	2.4
72.20982	1.8
76.56448	1.7
79.05481	28.1
81.07043	45.3
82.07372	1.9
83.04970	33.2
83.08604	11.3
85.06523	7.9
91.05461	21.3
92.41882	1.8
93.07028	25.1
95.04955	8.5
95.08588	46.7
97.02794	1.6
97.06522	7.7
99.08046	2.4
103.05383	2.2
105.07011	38.4
107.08573	40.8
109.06498	27.0
109.10137	70.7
111.04449	1.9
111.08054	8.0
111.69737	1.8
115.05434	2.4
117.06989	1.9
119.04960	1.8
119.08559	57.0
121.10114	24.6
122.03073	2.6
123.08045	36.9
123.11698	10.5
125.05957	5.4
125.09565	3.0
129.06960	2.0
131.03635	2.4
131.08545	6.4
133.02814	5.7
133.06461	12.4
133.10107	48.7
133.53880	1.7
135.08144	2.1
135.11667	80.4
136.12051	1.9
137.05937	6.7
137.09599	25.5
137.13197	1.9
138.10371	5.5
146.97398	5.2
147.08006	2.1
147.11670	32.2
148.07640	1.9
149.02344	2.5
149.09529	2.2
149.13254	18.0
150.06148	2.4
150.14902	1.6
151.07542	3.5
151.11160	15.0
151.14777	10.0
157.10112	3.2
161.05968	14.6
165.05411	3.1
165.12712	2.3
165.16362	4.8
169.99001	2.5
175.11200	12.2
175.14798	45.8
175.16252	3.4
178.02583	4.0
181.73027	1.7
193.04941	23.8
193.08571	5.5
193.12238	14.4
193.15852	100.0
194.08124	2.1
194.15544	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1221
Annotation	Ibufenac
Peak:m/z	Relative Intensity
53.03934	0.8
55.01856	1.4
55.05488	2.2
55.14674	0.7
57.07066	89.2
59.04976	1.7
63.42130	0.7
64.22209	0.8
64.74634	0.7
65.03926	0.8
67.05502	6.1
69.03406	1.8
69.07058	5.2
70.21984	3.2
70.63929	0.8
71.04973	1.0
79.05489	6.9
80.04994	1.4
81.03387	2.3
81.07053	10.4
83.04965	1.2
83.08577	1.5
85.06530	100.0
86.06859	1.1
87.04448	2.2
89.01389	0.9
91.05459	7.9
93.07034	4.2
95.04935	2.9
95.08595	5.7
97.06503	1.1
99.08119	1.1
103.05466	1.5
105.07013	14.6
105.81319	0.8
107.04935	2.2
107.08555	3.9
109.06504	4.7
109.10145	3.9
111.08063	0.9
113.24352	0.8
115.05451	1.9
119.08572	7.9
121.06474	1.3
121.10152	1.7
123.04388	1.6
123.08015	2.1
123.11683	2.4
125.05955	1.2
131.08554	1.5
133.02837	8.8
133.06459	9.3
133.10078	7.7
135.08052	1.1
135.11667	2.5
136.07547	1.1
137.05930	5.5
137.09552	1.3
146.97449	5.0
147.08020	2.2
147.11676	8.0
148.07526	1.2
149.02292	2.7
149.05914	1.6
149.13199	0.9
151.07483	1.7
157.10106	1.7
159.33432	0.8
161.05978	10.5
165.05399	2.2
165.08926	0.8
165.12679	1.8
166.08617	2.0
169.99010	3.4
175.03940	0.9
175.07481	2.9
175.11131	4.1
175.14787	2.5
178.02626	4.3
193.04922	31.2
193.06717	1.7
193.08566	4.7
193.10335	1.9
193.12193	14.8
193.15891	5.8
193.17523	1.2
194.05391	1.0
194.08058	1.9
194.15347	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	193.1221
Annotation	Ibufenac
Peak:m/z	Relative Intensity
53.03925	3.1
54.88094	1.0
55.01860	2.5
55.05509	6.9
57.03424	1.3
57.07058	3.6
65.03924	1.5
65.07928	1.3
67.05497	14.4
69.03418	2.0
69.07059	5.6
69.60555	8.0
71.04981	33.3
73.02879	1.6
74.01711	1.0
79.05482	73.0
81.03393	5.1
81.07043	74.2
83.04975	6.0
85.06528	35.9
87.04424	1.9
91.04882	1.8
91.05463	30.5
93.07030	15.2
93.21475	1.0
93.76814	1.1
95.04945	5.7
95.08582	3.4
97.06523	7.4
97.07024	1.3
103.05444	1.8
105.07012	30.9
107.04923	3.7
107.08593	7.7
109.06500	39.4
109.07242	2.3
109.10133	2.6
111.04457	1.6
111.08073	2.5
115.05403	2.6
117.06983	3.6
119.08564	25.8
121.06467	1.5
121.10110	4.2
123.08028	3.0
125.05986	9.5
129.06990	9.1
131.08578	8.0
133.02821	2.3
133.06465	29.6
133.10095	10.6
135.11691	2.5
137.05962	8.6
137.09590	1.9
139.07570	1.2
142.07776	3.5
145.10109	4.8
147.08026	9.3
147.11661	40.6
149.02324	1.9
149.09584	3.2
149.13414	1.3
151.07492	4.8
157.10103	9.8
161.05959	6.2
165.12772	6.4
171.35492	1.1
175.11159	96.9
175.14719	3.2
176.11450	1.5
178.02551	1.8
193.04951	11.6
193.08578	3.8
193.12213	100.0
193.15874	5.1
194.12610	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1219
Annotation	Ibufenac
Peak:m/z	Relative Intensity
53.03926	6.1
55.01844	5.2
55.05499	17.7
57.03425	4.2
57.07060	3.9
59.04980	5.0
61.21031	1.8
65.03915	3.8
67.05496	22.5
69.03426	11.4
69.07047	20.6
70.95846	3.4
71.04990	11.7
71.20476	4.0
72.41267	1.9
72.93776	8.4
79.05474	46.3
81.03381	7.8
81.04603	1.6
81.07040	50.2
83.04963	20.5
83.08588	6.3
85.02815	2.6
85.06509	5.6
87.04456	3.0
90.94800	4.1
91.05462	49.7
93.06458	3.0
93.07025	50.9
95.04948	19.6
95.08591	31.0
97.06516	28.1
99.04411	5.3
99.08092	3.9
103.05460	4.5
105.03284	1.9
105.07011	100.0
107.04906	6.8
107.08568	36.4
108.95863	3.2
109.06485	28.9
109.10123	19.8
111.04424	4.0
111.08044	8.7
111.11691	2.4
115.05434	8.7
117.06987	6.4
119.04902	5.0
119.08562	67.7
120.95387	1.7
121.02999	2.1
121.06483	10.9
121.10102	16.2
123.04409	4.8
123.08038	23.1
123.11674	7.1
125.05959	7.2
127.07520	2.6
128.03764	2.9
129.06999	8.6
130.03493	4.4
131.04825	2.3
131.08542	17.1
132.03954	2.0
133.02850	17.0
133.06476	31.6
133.10101	95.3
135.08026	28.3
135.11664	24.4
137.05939	10.3
137.09615	15.2
142.03476	16.0
142.07750	5.6
145.10075	5.8
146.97386	6.5
146.99600	2.5
147.04378	2.9
147.08018	9.9
147.11656	95.4
148.07491	3.0
149.02313	6.3
149.09561	9.2
149.13220	5.3
151.04015	10.6
151.07515	11.3
151.11148	7.6
151.14745	2.6
152.03992	4.2
153.54298	2.0
154.03427	8.6
157.10114	14.4
157.64488	1.7
158.04779	3.4
161.05949	32.2
162.54759	2.1
163.04016	10.6
165.05350	3.2
165.09180	2.1
165.12712	17.1
165.54312	1.9
166.08643	2.4
169.99014	5.1
172.04518	8.2
173.04523	5.4
175.03836	3.3
175.11159	55.6
175.14767	32.3
177.07503	2.4
177.52628	1.9
178.02560	11.4
187.87299	1.6
193.03230	3.8
193.04933	62.6
193.06750	3.3
193.08533	14.6
193.10406	4.5
193.12206	67.5
193.13890	2.9
193.15802	37.6
193.17332	2.2
194.08124	2.9
194.15305	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	193.1222
Annotation	Ibufenac
Peak:m/z	Relative Intensity
50.01577	0.5
53.03924	2.4
55.01858	3.8
55.05502	9.6
56.96560	1.0
57.03416	1.9
57.07061	1.9
59.04995	1.1
64.86961	0.5
65.03926	2.7
67.05494	20.4
69.03416	2.1
69.07055	7.8
69.78359	3.0
70.06582	0.7
71.04976	4.3
73.60883	0.6
77.03931	0.9
79.05479	100.0
80.05827	1.5
81.03406	17.7
81.07041	66.1
82.07385	0.8
83.04967	6.3
83.08600	3.5
85.06532	5.4
87.04467	0.6
90.22430	0.5
91.05466	40.3
92.05773	0.5
93.03368	0.8
93.07027	19.8
95.04951	13.1
95.08577	6.0
97.02882	1.1
97.06513	17.4
99.08061	1.0
101.05997	0.6
103.05453	3.4
105.03397	1.1
105.07011	44.6
106.07343	0.7
107.04948	6.7
107.08577	10.4
108.04468	0.9
109.06498	41.7
109.10138	3.6
111.04420	4.5
111.08044	1.5
115.05434	3.1
117.06988	2.9
119.04918	2.2
119.08558	29.9
121.02827	0.7
121.06485	2.8
121.10101	2.9
122.03673	0.6
123.04414	1.2
123.08041	3.5
123.11658	0.7
125.05971	23.9
127.07531	1.6
128.06239	0.7
129.06982	8.9
131.04919	1.0
131.08556	6.5
133.02815	3.3
133.06474	22.0
133.10107	14.5
135.08029	1.0
135.11676	3.8
137.05954	12.7
137.09608	1.9
139.07494	2.6
142.07750	3.0
145.10109	2.2
146.07274	1.0
146.27570	0.5
146.97423	2.2
146.99615	0.6
147.08038	6.5
147.11662	45.4
148.12010	1.1
149.02307	4.4
149.03391	1.0
149.09612	1.1
149.13216	1.2
151.07523	16.3
151.11148	2.3
157.10095	11.3
160.08821	0.8
161.05960	12.3
165.05444	3.7
165.12727	3.4
166.08566	1.1
169.98990	1.5
175.07561	1.5
175.11154	40.7
175.14720	5.3
176.11536	1.1
178.02582	3.2
193.04936	17.7
193.06752	1.2
193.08524	5.4
193.12213	40.7
193.15800	5.6
194.08170	0.5
194.12479	0.7
194.15370	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.122
Annotation	Ibufenac
Peak:m/z	Relative Intensity
53.03926	6.1
55.01847	5.1
55.05500	27.2
56.96537	6.4
57.03411	5.9
57.07072	10.5
59.04993	4.5
65.03947	2.3
67.05494	15.4
68.08193	1.9
69.03410	4.2
69.07049	9.5
70.08353	4.5
70.08748	3.6
70.68524	1.6
71.04977	9.9
73.26625	1.7
79.05480	28.6
81.03416	8.9
81.07043	22.8
83.04971	8.5
83.08605	14.0
85.06525	9.5
87.04445	7.1
88.95277	1.8
91.05467	71.7
93.07027	56.8
94.04187	1.7
95.01313	19.0
95.04952	21.3
95.08594	14.7
97.02846	2.1
97.06512	3.8
97.10139	2.4
98.06039	2.5
99.08096	4.2
101.49622	2.0
103.05429	7.5
105.03383	3.2
105.07015	100.0
106.07321	2.4
107.04929	3.2
107.08594	10.9
108.04424	2.1
109.06493	14.0
109.10152	8.7
111.04397	7.5
113.96401	2.7
115.05408	7.8
115.11205	1.7
117.07027	3.7
119.04912	3.2
119.08563	56.4
120.05228	3.9
121.06460	4.7
121.10096	5.3
122.03650	2.2
123.04454	9.9
123.08037	6.1
123.11668	5.1
129.06989	10.9
131.08546	29.5
131.97418	3.2
133.02820	13.9
133.06470	24.2
133.10110	97.2
135.11656	7.1
137.05957	63.2
137.09576	6.4
142.07803	3.3
142.15817	2.0
145.06456	4.1
146.97403	11.1
146.99551	2.3
147.04414	2.1
147.08034	8.4
147.11679	54.8
148.07463	3.3
148.86176	1.9
149.02312	6.4
149.05779	2.7
149.13248	3.6
150.03085	2.7
151.07512	5.5
157.10088	13.6
160.08876	1.8
161.05963	22.1
163.07549	6.3
165.05490	3.4
165.12706	3.8
166.08638	3.5
169.99030	6.9
175.03882	2.1
175.07520	7.4
175.11147	37.3
175.14772	11.1
178.02586	9.6
178.09819	2.7
187.11176	2.2
193.03236	3.6
193.04936	60.0
193.08577	12.0
193.10356	4.1
193.12198	34.4
193.14029	4.1
193.15749	15.6
194.05228	2.3
194.08148	1.9
194.15382	7.2
205.12228	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1221
Annotation	Ibufenac
Peak:m/z	Relative Intensity
53.03933	4.9
54.55614	1.0
55.01855	1.7
55.05498	4.0
60.24611	1.2
65.03641	1.2
65.03938	1.9
66.64143	1.2
67.05497	6.7
69.07052	2.3
70.81541	2.4
70.81923	2.4
71.04984	3.2
76.79584	1.2
77.03895	2.5
79.05484	17.2
81.07040	13.2
83.04961	2.0
91.05470	76.0
93.03384	2.9
93.07031	56.5
95.04951	14.0
95.08587	2.1
105.04501	3.0
105.07017	32.6
107.08580	5.9
109.06495	11.4
111.04501	1.4
115.05473	1.3
115.43360	1.0
117.07057	1.5
119.04920	9.5
119.08570	13.5
121.06477	1.8
123.04429	4.7
129.07018	2.9
131.08530	1.9
133.06467	4.9
133.10114	1.6
137.05963	100.0
137.72165	1.2
142.07758	2.3
145.11665	1.2
147.07997	2.4
147.11665	63.0
148.11961	2.4
157.10115	3.2
165.12744	2.0
175.11172	26.4
192.08705	1.3
193.04933	1.2
193.12219	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	193.1222
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	0.6
56.96570	1.5
57.07066	90.3
67.05502	1.3
69.07069	2.5
69.60297	3.1
69.60724	1.5
70.10412	0.5
70.98141	0.6
72.93776	2.2
74.93831	1.8
79.05478	5.0
81.07050	4.3
85.06529	100.0
86.06857	0.8
87.08083	1.2
91.05461	3.5
93.07035	2.5
95.08569	1.2
97.06475	1.0
103.05465	0.8
105.07012	6.6
109.06503	1.9
113.96415	3.3
115.05438	1.0
115.96408	6.3
119.08540	1.4
123.51530	0.5
125.05953	0.7
131.97403	3.0
133.02864	1.0
133.06465	3.5
133.10110	0.9
133.97496	3.1
135.11674	0.7
137.05942	3.5
146.97375	0.6
147.08073	0.7
147.11655	2.6
156.99016	0.9
159.06694	0.9
160.51447	2.1
161.05949	6.1
161.51485	2.6
162.06300	0.8
165.12730	1.2
170.51994	2.5
170.57498	1.0
172.02101	0.6
173.02238	1.8
175.11151	1.3
175.14764	1.2
178.02657	0.8
189.05437	11.7
190.05731	0.8
193.04951	4.7
193.08566	1.2
193.12244	8.5
193.14111	0.9
193.15852	1.6
193.17778	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1221
Annotation	Ibufenac
Peak:m/z	Relative Intensity
53.03938	2.2
53.34026	0.7
54.57159	0.7
55.01859	3.3
55.05251	1.0
55.05503	9.8
59.04985	0.9
60.08521	0.6
65.03929	1.1
65.41116	0.7
66.71440	0.6
67.05492	10.7
69.07056	6.5
70.48798	0.7
70.80814	2.7
77.03941	0.7
79.05482	100.0
80.05807	0.9
80.94028	0.7
81.07045	32.9
81.51942	0.7
82.80048	0.7
83.04959	1.3
85.06536	0.8
91.05469	24.8
93.07027	14.0
95.04967	5.7
95.08586	3.6
97.06519	24.0
103.05466	5.8
105.07016	67.4
106.07333	1.1
107.04939	7.7
107.08575	11.1
109.06506	2.1
111.04453	1.6
111.08114	1.1
115.05452	8.2
117.06998	1.9
118.04165	3.7
119.04964	0.8
119.08564	16.8
121.06498	3.1
121.10152	0.8
123.08099	1.8
125.05976	38.0
127.04902	0.7
127.54382	0.7
129.07010	5.7
131.04929	1.5
131.08571	3.0
133.02844	2.0
133.06471	46.9
133.10092	7.1
134.06839	1.2
135.11699	1.4
137.05959	4.4
137.09608	1.7
139.07538	6.0
142.07809	3.1
143.06026	1.8
143.07048	1.2
145.10089	1.0
146.07266	3.0
146.97491	1.6
147.08032	7.9
147.11667	46.5
148.12013	0.9
149.02342	1.5
149.05893	0.8
149.13264	1.2
151.07526	24.7
151.11168	1.6
157.10117	5.4
161.05960	40.7
162.06287	1.0
165.12746	3.6
169.99046	1.6
175.11160	55.9
178.02615	1.2
193.04930	8.6
193.06595	0.8
193.06934	1.0
193.08611	9.0
193.12233	18.3
193.15901	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1221
Annotation	Ibufenac
Peak:m/z	Relative Intensity
50.85937	1.3
51.02369	1.4
53.03932	8.2
55.01852	3.6
55.05503	10.6
56.15813	1.2
56.96545	5.4
57.07069	1.8
57.09005	1.2
58.21206	1.1
58.96166	1.9
59.65236	1.3
60.95842	2.9
65.03939	2.9
65.07980	1.4
67.05493	12.7
69.03401	1.9
69.07057	8.4
70.80730	2.4
70.81128	2.5
71.04987	3.2
71.93250	1.3
77.92553	1.3
79.05481	94.8
80.05808	1.3
81.03417	2.8
81.07043	37.3
83.04961	3.2
85.06505	1.3
87.04488	1.4
87.56339	1.3
90.88263	1.3
91.05466	88.6
92.05770	1.4
93.07030	67.2
95.04953	13.8
95.08574	7.5
97.06526	22.6
103.05466	2.9
105.03374	1.4
105.04564	1.7
105.07016	72.0
106.07356	1.5
107.04938	6.3
107.08577	17.6
108.04451	1.6
109.06498	11.7
109.10126	2.1
111.04418	3.0
115.05420	4.8
117.06978	6.5
119.04939	10.2
119.07764	2.5
119.08559	28.9
121.06504	5.4
121.10108	3.4
123.04411	6.2
123.08080	2.3
125.05974	29.8
129.06967	7.7
131.08560	4.6
133.02809	3.1
133.06476	27.3
133.10124	14.3
135.11667	8.5
137.05956	93.9
137.09554	1.5
138.06303	2.4
139.07556	5.7
142.07738	3.7
145.06398	1.8
145.10074	3.4
146.07227	1.8
146.97429	1.6
147.08046	4.5
147.11667	100.0
148.11972	1.9
149.13214	2.3
151.07530	23.3
151.11113	1.6
157.10101	6.5
157.53474	2.0
158.03421	4.2
159.02965	3.8
160.08888	1.8
161.05962	11.6
163.07507	3.1
165.12727	6.5
167.04105	1.5
175.06372	2.0
175.11162	68.7
175.14778	6.0
176.11484	1.8
178.02580	2.2
193.04918	15.1
193.08594	5.4
193.10405	2.1
193.12221	36.9
193.15881	5.7
203.06966	2.1
205.07602	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	193.122
Annotation	Ibufenac
Peak:m/z	Relative Intensity
53.03919	2.5
55.01847	3.4
55.05505	8.3
55.41930	1.0
65.03918	1.6
67.05491	9.3
69.03403	1.7
69.07056	6.6
70.22823	3.5
72.29356	0.8
77.03909	1.3
79.05479	97.6
80.05824	1.5
81.07040	30.1
83.04967	2.2
87.04434	1.1
91.05463	21.7
93.07026	13.9
95.04935	6.4
95.08598	4.6
97.06514	28.4
97.50346	0.9
98.21397	1.2
103.05442	10.0
103.46848	0.8
104.49931	1.0
105.03364	1.0
105.07011	100.0
106.07352	1.9
107.04938	8.1
107.08566	10.7
107.26250	0.9
109.06483	3.9
109.10104	1.2
111.04394	1.1
111.08051	1.9
111.39877	0.9
115.05432	15.4
117.06982	1.7
118.04134	5.8
119.04889	1.2
119.08562	16.5
121.06497	3.8
121.10125	1.3
123.08031	2.5
125.05966	43.3
127.71469	0.7
129.06999	4.1
131.04889	2.6
131.08540	3.3
132.05693	1.0
133.02823	2.9
133.06468	74.4
133.10081	8.5
134.06793	1.7
135.11646	1.1
137.05923	3.6
137.09610	1.0
139.07501	4.5
142.07719	3.0
143.04979	1.5
143.06003	4.6
143.06995	1.2
145.10046	1.2
146.07236	2.0
146.97424	2.0
147.08047	9.4
147.11662	48.0
148.12016	1.3
149.05960	0.9
149.13211	1.9
151.07515	24.6
151.11153	2.0
157.10109	7.1
160.08780	0.9
161.05954	85.3
161.59798	0.9
162.06259	1.9
165.09055	1.0
165.12729	3.4
166.08582	1.2
169.99016	1.8
175.11159	59.1
175.14812	2.5
176.11441	1.5
178.02556	1.7
193.04945	14.1
193.06836	1.6
193.08569	10.2
193.10378	1.8
193.12204	18.1
193.15814	3.5
193.17490	1.2
194.15421	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0857
Annotation	(E)-Methyl 4-methoxycinnamate
Peak:m/z	Relative Intensity
53.03922	0.9
55.01863	5.2
55.05497	2.7
56.96563	1.3
57.03420	1.7
57.07071	1.2
59.04995	2.6
65.03929	1.3
67.05505	6.7
69.03409	2.5
69.07047	3.5
69.59560	7.6
71.04970	1.2
79.05485	12.8
81.03414	6.5
81.07039	6.6
83.04964	2.2
85.06538	1.7
87.04485	1.7
90.21862	1.0
91.05463	14.1
93.07025	4.6
95.04949	5.7
95.08605	3.2
98.20796	2.1
98.97584	1.8
99.08117	1.0
103.05457	11.5
105.03378	1.1
105.07015	92.0
106.07390	1.9
107.04929	1.7
107.08586	4.2
109.06509	4.3
109.10137	3.4
111.04436	1.5
111.08083	1.0
115.05436	17.8
115.24345	1.0
117.07030	1.5
118.04147	8.4
119.04967	1.5
119.08564	11.0
121.06497	0.9
121.10144	1.8
123.04456	2.0
123.08057	2.6
123.11697	1.1
131.04904	2.6
131.08563	1.9
132.05707	1.8
133.02835	8.5
133.06476	80.4
133.10097	11.8
134.06772	2.1
135.08041	1.8
135.11711	2.6
136.07590	6.2
137.05980	5.6
137.09581	3.0
143.04974	2.0
143.06047	5.3
145.06374	1.1
146.97450	2.7
146.99545	1.3
147.04422	2.0
147.08020	2.8
147.11664	13.1
149.02353	1.1
149.05948	2.3
150.03107	1.5
151.03870	1.0
151.07529	1.5
151.11104	2.1
160.05077	3.1
161.06012	100.0
162.06380	2.4
165.05460	3.7
165.12839	1.6
175.07518	2.8
175.11107	6.6
175.14825	5.9
178.02608	3.7
181.06221	1.2
193.04929	28.4
193.08556	20.2
193.12177	11.2
193.15891	5.0
194.15291	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0857
Annotation	(E)-Methyl 4-methoxycinnamate
Peak:m/z	Relative Intensity
53.03942	0.4
55.01857	2.6
55.05504	0.6
61.27985	0.4
69.57648	0.7
69.58060	3.1
77.03961	0.4
79.05476	7.0
81.07054	0.6
90.04684	0.4
91.05476	3.4
93.07057	0.7
94.01246	0.4
95.04961	1.6
95.08595	1.0
103.05455	10.1
105.07018	70.2
106.07338	1.2
109.06496	0.5
109.10146	0.8
115.04661	1.0
115.05443	14.5
118.04144	8.4
118.04916	0.8
119.08578	0.5
131.04903	2.9
132.05701	0.8
133.06474	70.4
134.06802	1.1
135.11627	0.7
137.05971	0.6
143.04945	1.2
143.06033	5.0
149.05957	1.2
161.05963	100.0
162.06348	2.5
165.48192	0.4
175.14835	0.5
193.04932	3.3
193.08569	13.4
193.12248	1.0
193.15822	1.2
194.05307	0.5
194.15417	1.0
205.18153	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0857
Annotation	(E)-Methyl 4-methoxycinnamate
Peak:m/z	Relative Intensity
51.55731	0.4
53.03932	1.2
55.01853	1.9
55.05507	0.8
57.07065	0.4
59.04974	0.4
67.05492	0.8
69.03418	0.5
70.90278	0.4
71.63428	0.5
77.03903	0.6
79.05054	0.6
79.05484	8.8
81.03364	0.6
81.07035	1.3
87.04470	0.5
89.03918	0.4
90.04675	0.7
91.05467	4.3
93.07030	1.0
95.04949	1.6
95.08582	1.4
99.08053	0.5
103.05461	9.9
105.07014	73.8
106.07343	1.3
107.04922	0.6
107.08587	0.7
109.06492	0.6
109.10155	0.5
115.05434	14.5
118.04145	6.6
119.08587	1.0
121.73577	0.4
131.04892	2.7
131.31639	0.5
132.05679	1.2
133.02808	1.8
133.06471	70.8
133.10117	1.3
134.06819	1.3
135.11696	0.5
137.05960	1.6
143.04933	1.3
143.06026	4.1
146.97359	0.5
147.11699	0.9
148.07558	0.5
148.50957	0.5
149.05945	0.7
161.05956	100.0
162.06300	2.4
165.05450	0.7
169.98987	0.7
175.10039	0.5
175.14789	0.9
178.02628	0.9
178.06229	0.5
180.21176	0.5
193.04910	7.1
193.08591	14.5
193.11263	1.6
193.15877	2.0
193.17593	0.5
194.15419	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0858
Annotation	(E)-Methyl 4-methoxycinnamate
Peak:m/z	Relative Intensity
53.03938	1.0
55.01862	3.1
55.05506	1.3
57.07064	1.3
59.05003	0.7
67.05508	2.8
69.07056	1.5
71.04993	0.7
71.35872	0.8
75.20365	0.5
79.05484	10.3
81.03425	0.7
81.07043	2.9
82.00867	0.4
83.08603	1.1
85.06518	0.8
87.04448	0.7
88.04723	0.5
90.04704	0.8
91.05473	6.1
91.16631	0.5
93.07021	3.0
95.04973	2.4
95.08591	3.9
97.06518	0.8
99.08084	0.7
101.31189	0.4
103.05447	10.3
105.07018	82.3
106.07366	1.6
107.04945	0.7
107.08584	2.0
108.04427	0.5
109.06506	0.9
109.10153	2.6
111.04414	0.6
115.05440	17.3
118.04147	7.4
119.08545	3.2
121.10128	0.9
123.08083	1.0
131.04929	3.3
132.05704	1.1
133.02831	2.0
133.06476	73.4
133.10075	3.2
134.06801	1.7
135.11642	1.7
137.05989	1.5
137.09605	0.8
141.36632	0.5
143.04922	1.2
143.06033	4.0
146.97414	2.0
147.08154	0.7
147.11661	2.4
149.05984	0.8
149.13243	1.0
161.05960	100.0
162.06306	2.1
165.05461	0.6
169.99010	1.0
175.11269	1.0
175.14822	4.9
178.02635	1.7
193.03278	0.6
193.04951	9.2
193.08580	13.2
193.10281	0.9
193.12219	2.0
193.14110	0.7
193.15849	5.1
194.15431	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0494
Annotation	1,3,6,8-Naphthalenetetrol
Peak:m/z	Relative Intensity
51.02364	0.3
53.03934	0.6
55.01863	1.7
55.05492	1.1
56.96541	0.5
57.03422	0.5
57.07058	1.1
57.14005	0.2
59.04977	0.9
62.91378	0.3
64.36282	0.2
65.03925	0.4
67.05222	0.2
67.05493	2.9
68.99767	0.6
69.03423	1.2
69.07055	1.5
70.06576	0.4
70.60118	0.9
71.04976	1.5
73.02872	0.4
77.03901	0.6
79.05479	6.8
81.03381	0.9
81.07038	4.2
81.19938	0.3
83.04975	1.3
84.08115	0.5
84.84771	0.3
85.02881	0.5
85.06534	2.5
87.04509	0.3
89.03885	0.8
91.05467	8.1
93.07033	2.6
94.04166	0.5
95.04954	2.5
95.08591	1.4
97.02891	0.4
97.06512	0.8
98.97588	0.3
99.04427	0.3
99.08070	0.6
103.05464	3.0
105.03368	0.9
105.07016	25.8
107.04935	0.7
107.08580	2.6
109.02895	0.4
109.06506	2.9
109.10152	1.3
111.04379	0.6
111.08075	0.3
115.05430	4.1
117.03305	0.5
117.06986	0.6
118.04160	1.5
119.04905	0.8
119.05751	0.2
119.08564	6.3
121.06469	0.6
121.10111	0.9
122.03636	3.2
123.04378	0.7
123.08048	1.2
123.11674	0.5
125.05972	0.6
129.05452	0.3
129.07005	0.7
130.06474	0.4
131.04887	0.5
131.08524	1.1
132.05687	0.3
133.02837	28.3
133.06471	20.5
133.10098	2.7
134.99786	0.2
135.08025	1.4
135.11664	1.4
136.06187	0.5
136.07539	1.0
136.66216	0.2
137.05957	7.6
137.09581	0.8
143.04895	0.5
143.05998	0.9
145.10072	0.6
146.05965	1.0
146.97432	1.3
147.04384	0.7
147.08009	1.4
147.11667	12.7
148.07491	0.6
149.02293	0.9
149.05968	2.4
149.09625	0.3
149.13220	0.3
150.03098	3.8
151.03839	1.4
151.07562	0.6
151.11174	0.7
157.10092	0.5
160.08748	0.3
161.02353	0.8
161.05960	24.4
162.06311	0.4
165.05450	4.5
165.09076	0.5
165.12721	0.7
169.99052	0.7
175.03838	0.3
175.07520	0.8
175.11151	3.8
175.14812	1.4
177.00633	0.3
178.02582	20.4
179.02965	0.5
192.45857	0.2
193.04935	100.0
193.08502	5.9
193.12175	5.3
193.15799	1.8
193.17310	0.3
194.05301	1.9
199.06755	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	192.9301
Annotation	Unknow
Peak:m/z	Relative Intensity
59.44781	5.6
59.58193	6.1
66.50525	6.1
71.47346	14.4
96.92801	7.7
109.47146	5.4
114.89319	52.1
116.89117	100.0
118.88918	7.0
175.97260	6.5
190.70085	6.0
192.99854	77.2
193.98331	9.5
203.45285	6.2
209.93362	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	192.0767
Annotation	Carbendazim
Peak:m/z	Relative Intensity
53.47894	0.2
55.01855	0.3
55.05503	0.3
56.96539	0.3
57.07052	0.3
65.03929	0.3
67.05490	0.7
68.19745	0.2
69.03409	0.7
69.07045	0.3
69.43578	0.7
69.43996	1.5
70.07404	0.2
79.05497	1.2
80.05023	0.2
80.05794	0.3
81.03387	0.3
81.07050	1.1
82.07378	0.7
83.04975	0.4
84.05309	0.2
84.08123	0.4
90.94801	0.3
91.05472	1.5
92.05807	0.4
93.07056	1.0
94.07391	0.8
95.04942	0.8
95.08588	0.5
96.08887	0.3
97.02891	0.4
97.06495	0.2
98.20748	0.5
103.05443	0.7
104.05793	0.3
105.07019	3.6
106.07343	0.9
107.04939	0.8
107.08598	1.4
108.05257	0.5
108.08908	1.5
108.95815	0.2
109.06482	0.6
109.10130	0.4
110.06100	0.2
110.07062	0.3
110.10522	0.3
110.90040	0.2
115.05402	0.6
118.04167	0.3
118.06547	0.3
118.07360	0.7
119.04958	0.3
119.08580	0.7
120.08085	0.3
120.08852	0.3
121.06514	0.6
121.10141	0.5
122.06834	0.7
122.10425	1.1
123.08049	0.3
131.04918	0.4
131.08589	0.6
132.05446	2.4
132.08919	1.4
132.95824	0.5
133.02861	0.6
133.06476	2.8
133.10104	0.9
134.10442	2.0
135.08089	0.5
136.07492	0.3
136.08395	0.5
136.12041	0.3
137.05966	0.4
145.06473	0.5
146.03618	0.3
146.05965	0.7
146.06883	3.6
146.10487	1.1
146.97441	0.6
147.04372	0.2
147.08044	0.3
147.11659	0.8
148.07552	0.8
148.11986	0.7
149.05966	0.5
150.06332	1.1
150.09006	0.5
150.10043	0.5
150.13574	0.7
150.96878	1.6
160.05043	100.0
161.06078	2.7
164.06956	0.3
164.11476	0.3
164.15169	0.7
174.13589	1.8
175.11172	0.5
175.85495	0.2
177.07973	0.3
178.02579	0.4
191.97177	0.3
192.07660	29.6
192.10442	1.0
192.14822	3.5
192.17372	1.9
193.04915	2.0
193.08330	1.0
193.12143	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1427
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
53.03917	2.1
53.43468	1.4
55.05493	4.1
56.96570	3.0
57.07056	4.7
59.04982	2.5
65.15733	1.4
67.05502	11.2
69.03387	7.7
69.07048	9.0
71.04983	18.1
79.05475	16.6
79.98034	1.4
81.07056	12.4
83.04938	4.4
83.08586	2.9
85.06528	10.8
88.15445	1.5
91.03551	1.5
91.05469	25.5
93.07037	22.1
95.04956	9.8
95.08590	17.0
97.06509	19.4
103.05443	4.8
105.07012	33.9
107.04934	8.0
107.07430	1.7
107.08579	41.9
107.27805	1.4
108.90427	2.0
109.06499	14.7
109.10139	10.3
111.08035	4.7
115.05393	2.7
117.07008	11.0
119.08566	12.4
121.06494	9.7
121.10123	43.8
123.08041	6.6
123.11691	2.1
125.68102	1.4
129.06982	3.5
130.07762	1.6
131.04890	3.4
131.08534	23.4
133.10112	36.0
135.04376	3.9
135.08037	26.8
135.11638	4.4
137.09706	2.4
143.08560	5.5
144.09282	2.3
145.06456	3.4
145.07558	2.7
145.10106	24.2
146.05960	4.6
147.11668	19.1
149.05972	13.2
149.09607	9.8
149.13239	19.9
155.08514	1.8
158.10880	7.2
163.11150	10.5
163.14694	2.3
173.05879	1.6
173.09593	13.0
173.13225	37.1
191.03331	3.5
191.05461	2.3
191.06798	9.0
191.10641	42.8
191.14273	100.0
191.17900	4.4
192.06506	2.3
192.10251	2.1
192.14253	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	191.1428
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.8
55.01851	1.9
55.05506	9.4
57.03419	1.7
57.07057	2.6
58.71482	0.8
59.04978	2.5
65.03925	1.2
67.05492	7.9
69.03418	18.5
69.07059	16.3
70.77567	1.2
70.77901	1.8
71.04976	2.6
72.04488	3.8
78.03773	3.3
79.05482	16.4
81.07050	14.3
83.04965	5.6
83.08603	2.3
85.06525	4.1
91.05467	41.0
93.07030	18.9
95.04954	4.7
95.08591	11.4
97.06537	4.9
98.14089	1.0
99.96144	0.8
102.03757	2.1
103.02153	9.5
103.05474	6.9
104.06194	0.9
105.07016	73.0
106.07298	1.5
107.04930	4.2
107.08579	36.3
109.06527	6.5
109.10148	4.1
111.08045	3.2
114.03716	1.2
114.05506	12.8
115.05445	2.6
116.06236	1.3
117.06996	18.5
119.08563	100.0
120.04799	9.6
120.08900	1.4
121.06486	7.0
121.10121	19.8
121.10996	1.2
123.08035	6.7
123.11634	2.0
129.06972	4.0
130.07759	2.6
131.04854	4.4
131.06409	1.1
131.08548	25.1
132.04749	2.1
132.09360	3.0
133.06488	1.2
133.10120	22.3
135.04424	7.0
135.08018	20.1
135.11644	4.8
143.08556	6.1
144.09293	1.9
145.06450	2.2
145.10097	43.7
146.05965	3.1
147.07977	1.8
147.11664	56.4
148.05104	1.5
148.11958	1.1
149.06012	1.6
149.07405	6.7
149.09595	28.0
149.13219	7.3
150.96902	0.9
155.08606	1.3
158.10876	8.4
159.07921	0.9
160.05045	13.9
161.09566	2.0
163.05779	1.5
163.07521	3.1
163.11162	3.7
163.14775	4.5
173.05861	0.9
173.09615	5.5
173.13261	24.5
174.05783	1.6
176.04642	1.2
191.03288	1.1
191.05478	1.3
191.07155	5.9
191.08511	7.4
191.10652	15.5
191.14285	65.6
192.07735	4.6
192.14589	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1427
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
55.05495	4.1
55.75990	1.9
56.96542	5.3
57.07050	2.2
59.04973	2.1
61.40949	1.7
63.16636	1.6
65.03909	2.4
66.47077	1.6
67.05490	16.1
69.03400	5.7
69.07037	6.3
69.80654	8.5
71.04977	27.1
76.70305	1.9
79.05472	14.7
81.07056	13.4
83.08564	3.9
85.06519	7.2
91.05459	24.0
93.07038	14.9
95.04968	11.3
95.08601	12.8
97.06503	6.8
97.33438	1.7
98.21486	2.5
103.05451	4.5
105.07013	36.2
107.04926	5.3
107.08578	38.0
109.05782	3.7
109.06504	66.8
109.10136	73.6
114.39178	1.7
115.05443	14.8
117.06992	27.0
119.08530	11.0
121.06470	6.6
121.10117	35.6
121.12531	2.1
123.08034	26.5
126.75561	1.9
129.06973	4.8
131.08542	38.3
133.06406	2.2
133.10106	20.1
135.08028	71.6
135.11714	3.3
137.09589	2.2
143.08438	3.9
145.06482	16.4
145.10083	14.2
146.06075	2.5
147.08076	2.3
147.11684	13.1
148.02820	3.5
149.09558	11.6
149.13228	9.8
150.10385	4.3
157.03304	8.5
158.10883	7.3
160.83614	1.7
161.09676	2.2
163.07504	9.1
163.11148	2.6
173.05908	13.3
173.09671	4.0
173.13231	49.3
176.12016	2.2
191.03357	5.8
191.06950	23.9
191.10628	7.8
191.14264	100.0
192.14526	3.2
203.07018	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	191.1425
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03919	4.0
53.73529	1.2
55.01846	1.5
55.05497	7.3
55.85954	1.1
56.24550	1.2
57.07058	3.8
59.04973	2.0
65.03925	2.8
67.05495	7.7
69.03070	1.6
69.03414	24.9
69.07058	8.3
70.74548	4.2
78.73728	1.2
79.05475	36.7
81.03423	1.5
81.07040	35.7
83.04972	10.7
83.08594	2.8
85.06528	3.2
91.05465	21.3
93.07026	21.5
95.04942	5.1
95.08581	8.6
97.06509	2.7
101.68497	1.3
103.05411	2.4
105.04462	1.5
105.07011	20.3
107.04272	2.1
107.04929	25.0
107.08573	64.9
109.06486	6.1
109.10143	8.9
111.08124	1.9
115.05434	1.9
116.06147	1.4
117.06978	6.8
119.08558	8.8
121.06481	10.8
121.10119	20.8
122.07277	2.2
123.08025	4.1
129.06955	1.7
130.07689	1.5
131.08527	14.4
133.10103	100.0
134.10425	2.1
135.04451	1.3
135.08032	14.2
135.11647	3.4
137.09595	27.6
143.08568	3.1
145.10081	17.7
147.11629	5.1
149.05898	3.0
149.09625	5.9
149.13220	14.7
158.10881	4.4
163.07533	1.5
163.11148	1.6
163.14830	3.7
170.28578	1.3
173.06064	1.4
173.09685	1.4
173.13235	19.2
191.03397	2.7
191.06889	1.7
191.10709	6.6
191.14264	66.1
192.14560	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1427
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
50.21811	0.3
53.03939	0.4
55.05501	2.6
56.76161	0.2
57.03430	0.5
57.07064	0.8
58.67265	0.3
65.03925	0.4
67.05498	2.4
69.03419	8.9
69.07057	2.5
70.96927	0.5
70.97265	0.3
71.05017	0.3
77.03894	0.3
79.05485	3.8
81.07047	3.7
83.04972	1.5
83.08655	0.4
91.05471	4.9
93.07035	4.1
94.11627	0.3
95.04953	0.9
95.08606	2.0
97.06533	0.3
103.05447	0.4
105.07016	9.2
106.07278	0.3
107.04944	1.9
107.08584	14.9
109.06493	1.5
109.10146	5.1
109.43083	0.2
113.21174	0.2
115.05463	0.7
116.06194	0.4
117.07013	1.4
118.07782	0.6
119.06129	0.4
119.08569	2.9
121.06490	1.6
121.10125	10.6
122.07293	2.7
123.08074	1.4
126.94773	0.2
129.07007	0.4
129.14714	0.3
131.08548	4.6
133.10112	100.0
134.10391	1.7
135.08038	3.6
135.11668	1.5
137.09599	21.9
139.51158	0.2
143.08560	1.2
145.06490	0.3
145.10101	3.1
147.11671	2.1
149.05890	0.2
149.09622	1.2
149.13239	9.1
158.10904	2.3
163.07608	0.6
163.11247	0.5
163.14827	1.7
173.09599	0.4
173.13242	9.0
174.13535	0.3
191.03375	1.0
191.06985	0.5
191.10605	1.4
191.14281	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	191.1427
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	2.1
54.95639	1.7
55.01850	3.3
55.05503	9.1
57.03405	2.3
57.07063	3.6
59.04982	1.5
65.03922	2.6
67.05495	8.6
69.03419	16.4
69.07065	13.2
69.45389	1.9
69.45798	13.1
71.04973	6.7
77.93846	1.6
78.29520	1.6
79.05480	20.6
81.07043	26.9
83.04972	8.6
83.08630	2.5
85.06510	5.5
90.04684	1.6
90.94803	1.9
91.04958	2.5
91.05467	33.5
93.07028	32.5
95.04980	9.7
95.08595	28.1
97.06501	7.2
97.10171	1.5
98.21472	3.1
99.08059	2.6
102.04684	2.9
103.05453	62.1
105.03356	4.8
105.07011	70.4
107.04934	10.0
107.07849	3.4
107.08575	55.3
109.06499	11.3
109.10135	8.5
111.08068	2.8
113.09629	9.5
115.05423	6.2
116.06209	2.1
117.07005	15.5
118.04129	19.9
118.06477	1.7
119.04916	6.7
119.07774	2.8
119.08562	34.6
120.05634	2.6
121.06469	19.2
121.09291	3.0
121.10125	34.1
123.08039	6.6
129.06984	4.3
130.04115	6.3
130.07742	4.6
131.04909	49.0
131.08546	56.3
132.05658	3.1
133.02867	10.0
133.06471	5.3
133.10112	71.0
135.08023	25.7
135.11652	8.6
137.13217	2.2
143.08501	8.4
144.09317	4.5
145.06490	3.4
145.07622	2.1
145.09027	2.8
145.10106	39.4
146.03578	3.7
147.08076	2.9
147.11665	35.8
148.05180	35.6
149.05945	2.2
149.09613	16.8
149.13234	25.5
158.10838	9.6
160.05031	8.9
161.13203	2.9
163.07515	53.7
163.11188	10.1
163.14790	12.3
164.07846	1.8
173.05934	6.8
173.09608	7.1
173.13234	57.5
174.13588	2.1
176.04695	8.4
191.03336	2.0
191.05190	2.2
191.05463	1.3
191.06953	54.2
191.10677	17.0
191.14284	100.0
192.07483	2.2
192.14610	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	191.1427
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
53.03929	1.6
55.01859	1.1
55.05491	3.1
57.07064	2.3
59.04979	2.0
61.12276	1.0
66.45473	1.0
67.05497	7.0
69.03389	2.5
69.07054	5.4
70.77814	3.8
71.04989	5.1
74.40824	1.0
79.05473	5.6
81.07037	8.8
83.08600	3.9
85.06519	3.2
91.05464	15.3
93.07028	8.4
95.04946	6.9
95.08584	8.8
96.92035	1.0
97.06505	5.5
98.11477	1.1
98.34561	1.0
103.05453	1.1
105.07008	29.4
107.08579	18.0
109.06499	26.3
109.10133	23.6
111.08068	2.0
116.06234	2.0
117.07003	6.0
119.08556	11.0
121.06471	3.1
121.10117	11.8
123.08041	6.9
123.11680	3.3
129.07005	2.0
131.08549	33.7
132.90437	1.1
133.10109	100.0
135.08034	29.5
135.11716	1.8
143.08533	4.9
144.09294	2.8
145.10097	11.8
145.31712	1.0
147.11673	12.4
149.09637	5.4
149.13234	14.9
158.10886	9.2
160.05049	2.5
163.07472	1.5
163.11136	2.8
163.14743	2.6
171.11658	1.2
173.13231	54.6
180.61859	1.1
191.14267	52.0
192.14719	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1427
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	3.0
55.01856	3.3
55.05502	13.1
57.03405	3.2
57.07058	2.2
59.04965	1.8
63.91255	1.4
67.05499	12.6
69.03413	25.3
69.07046	17.4
69.86509	6.2
69.86913	2.5
70.95834	1.9
71.04972	7.3
72.93751	2.6
73.02908	1.6
75.49919	1.5
79.05480	21.9
81.03407	3.0
81.07044	23.0
83.04962	7.7
83.08611	2.8
84.50078	1.4
85.02901	2.0
85.06512	6.0
90.94805	1.5
91.05462	37.3
91.71880	1.3
92.71385	1.3
93.07030	28.8
95.04940	8.3
95.08587	21.9
97.02913	2.0
97.06520	9.1
101.88267	1.4
103.05436	5.5
105.03371	1.6
105.07010	75.2
107.04938	29.3
107.07848	3.2
107.08570	56.5
109.06482	11.0
109.10130	6.7
111.08011	2.0
115.05450	3.4
116.06204	1.4
117.06998	16.7
118.46589	1.4
119.08556	65.7
121.06484	14.6
121.10117	30.2
123.08029	6.5
129.06953	8.3
130.07764	3.4
131.04861	4.2
131.08543	61.6
132.05602	1.8
132.95749	3.2
133.06490	2.3
133.10101	46.3
135.04369	4.3
135.08018	21.0
135.11650	10.6
143.08516	5.5
144.09288	3.6
145.06468	5.0
145.10094	49.4
146.06013	2.4
146.10466	1.7
147.08037	7.0
147.11653	82.9
149.05960	2.1
149.09579	21.1
149.13235	17.2
158.10924	6.7
160.05035	71.0
163.03770	2.0
163.07510	5.7
163.11125	10.1
163.14778	11.1
173.09627	13.2
173.13232	46.3
176.99928	2.7
191.03372	2.8
191.06885	7.3
191.10626	33.5
191.14268	100.0
192.07623	20.3
196.98892	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1427
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
53.03923	1.9
55.01853	2.6
55.05500	10.0
57.03420	2.2
57.07049	2.1
58.06625	1.0
62.16746	1.5
67.05489	12.7
69.03126	1.1
69.03417	12.8
69.07055	12.2
69.48855	1.0
69.92721	7.5
69.93040	1.6
71.04958	3.6
79.05483	15.6
81.07041	36.8
83.04961	8.4
83.08585	4.9
85.06521	4.7
86.09669	1.5
89.87570	1.3
90.21840	1.1
91.05461	24.1
93.07020	34.1
95.04967	8.3
95.08589	21.2
97.06507	7.0
99.08042	1.4
103.05444	2.6
105.07011	39.1
107.04922	3.9
107.08575	73.7
109.06498	9.4
109.10146	7.0
111.08019	2.8
115.05459	2.6
117.07003	10.0
119.08559	21.7
121.06485	17.0
121.10123	40.3
123.08038	8.9
124.29531	1.1
126.08940	1.0
129.06963	4.7
130.07736	3.0
131.04884	4.6
131.08540	38.5
133.10101	80.6
134.10434	1.2
135.08029	21.3
135.11656	8.3
136.06128	5.4
143.08559	5.1
144.09311	3.2
145.06465	5.4
145.07506	1.1
145.10098	22.4
147.07977	1.4
147.11650	23.3
148.08797	1.4
149.09604	16.3
149.13229	29.2
150.13684	1.5
158.10863	8.2
160.05031	50.4
162.10297	1.3
163.11156	3.7
163.14786	20.6
173.09569	1.5
173.13228	47.5
191.06995	4.2
191.10622	4.7
191.14272	100.0
192.07674	14.3
192.14650	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	191.1064
Annotation	Aristelegone A
Peak:m/z	Relative Intensity
53.03933	2.0
55.05497	3.6
56.96553	7.2
57.07058	2.2
59.04987	3.1
67.05502	9.2
69.03425	8.2
69.07051	6.8
70.73000	1.5
71.04966	2.2
71.62304	2.9
79.05488	14.9
80.19557	1.5
81.07043	10.0
81.94408	1.6
83.04967	4.3
87.12959	1.8
90.30843	1.8
91.04885	2.7
91.05468	55.2
93.07040	10.7
95.04942	4.2
95.08588	4.6
103.05457	8.0
105.03361	2.1
105.07019	41.2
107.04946	9.2
107.08577	15.1
109.06494	8.1
109.10124	9.1
110.95558	1.6
115.05434	9.0
116.06222	3.9
117.07002	54.0
117.07833	2.9
118.06505	1.7
119.04989	2.0
119.08562	16.0
120.05659	2.1
121.06528	4.3
121.10140	12.4
123.08070	5.2
123.11697	4.9
128.06200	5.5
129.06982	5.8
130.06915	1.6
130.07765	10.8
131.04938	9.6
131.08542	15.3
132.05681	5.0
133.10103	19.5
133.94177	1.7
135.04401	10.4
135.08047	14.2
135.11661	7.1
137.09650	2.8
143.08562	5.3
144.05693	8.2
145.06480	32.8
145.10106	100.0
146.05983	4.3
147.08003	3.8
147.11665	12.3
149.05972	3.6
149.09605	5.7
149.13226	5.1
153.06909	3.4
155.06018	2.5
155.08554	5.7
157.03336	7.0
158.07253	11.1
158.10846	4.0
160.05122	2.3
162.05501	2.2
163.07532	6.6
163.11185	7.2
173.05984	7.6
173.09607	36.0
173.13219	15.7
191.03384	4.2
191.06946	20.1
191.10667	17.7
191.14281	48.6
191.17978	2.5
192.10133	4.6
192.13861	2.4
203.07037	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	191.1062
Annotation	Aristelegone A
Peak:m/z	Relative Intensity
51.04659	0.3
51.74636	0.4
53.03927	1.1
55.01848	1.0
55.05483	1.5
57.03413	0.4
57.07058	0.7
59.04987	0.4
60.75595	0.3
65.03904	1.0
67.05167	0.5
67.05492	5.7
69.03422	1.7
69.07059	1.9
69.66948	0.7
69.67358	1.7
71.04961	1.0
76.43755	0.3
79.05048	0.6
79.05477	8.7
81.07050	2.5
83.04951	1.4
85.06487	0.4
86.23124	0.3
91.05462	18.7
93.06456	0.7
93.07022	8.6
95.04963	2.8
95.08579	0.9
98.21461	0.6
103.05454	6.2
105.03364	1.0
105.07011	13.0
107.04942	3.9
107.05626	0.6
107.08566	4.2
109.06485	1.2
109.10139	0.8
111.15096	0.3
115.05437	4.0
116.06235	1.9
117.06993	17.4
118.07310	0.5
119.08554	3.8
121.06477	4.6
121.10149	2.1
123.04384	0.5
123.08061	0.5
126.96389	0.3
128.06186	1.0
129.06990	3.0
130.07764	4.8
131.04910	1.7
131.08548	2.2
132.05638	0.5
133.06421	0.7
133.10094	2.3
134.07210	0.7
135.04384	2.5
135.08018	1.9
135.11659	1.8
143.08531	2.7
144.05679	1.0
145.06471	2.6
145.10095	17.6
146.05969	0.5
146.10632	0.5
147.11607	0.8
149.05949	7.2
149.09589	0.8
149.13246	0.5
153.06964	1.5
154.07809	0.4
155.08522	5.5
158.07245	0.9
158.10916	0.5
161.05997	0.7
162.06757	2.4
163.07475	0.6
163.11150	6.9
173.09586	33.3
173.13130	2.2
174.09941	0.9
191.10632	100.0
191.14214	6.0
192.06508	0.6
192.11089	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	191.1063
Annotation	Aristelegone A
Peak:m/z	Relative Intensity
50.01575	0.6
51.02362	0.5
53.03926	1.5
55.01847	1.3
55.05509	2.2
57.07050	0.8
59.04976	0.6
67.05495	6.3
69.03426	2.5
69.07053	2.2
71.04962	1.9
71.24161	0.8
79.05480	13.4
81.03403	0.6
81.07053	2.5
83.04955	1.8
83.08605	0.5
85.06480	0.4
90.26186	0.4
91.05463	17.9
92.76810	0.4
93.06469	0.7
93.07030	9.3
94.29742	0.4
95.04948	2.7
95.08568	1.8
97.06500	0.8
100.44900	0.4
103.05441	5.9
105.03416	0.5
105.07012	17.2
107.04944	4.5
107.08573	5.7
109.06496	2.2
109.10133	1.4
115.05436	3.7
116.06172	1.4
117.06203	0.8
117.06996	13.8
119.04948	0.7
119.08553	3.9
121.06493	8.4
121.10128	3.3
123.04436	0.7
123.08033	0.9
123.11710	0.6
128.06184	1.5
129.06995	2.1
130.07767	5.4
131.04883	1.9
131.08572	4.3
132.05608	0.7
133.06441	0.5
133.10114	3.7
135.04393	6.4
135.08035	3.3
135.11717	2.3
143.08514	2.4
145.06444	3.6
145.07545	0.7
145.10098	18.0
146.05978	1.2
146.10426	0.5
147.08049	0.6
147.11743	0.9
149.05959	17.4
149.09561	1.5
149.13239	1.0
153.06921	1.0
155.08505	4.8
158.07193	1.0
158.10918	1.1
160.04994	0.7
161.05945	1.0
161.09583	0.4
162.06694	2.1
163.03896	1.3
163.07492	1.2
163.11154	11.5
163.13322	0.5
163.14778	0.8
173.09604	30.9
173.13159	3.6
174.05438	0.5
174.09900	1.2
191.03331	1.5
191.07011	2.8
191.10638	100.0
191.14227	10.8
192.06416	0.6
192.11188	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1063
Annotation	Bruguierol A
Peak:m/z	Relative Intensity
53.03913	0.6
55.01847	0.9
55.05486	1.4
59.04963	0.6
64.54615	0.4
65.03926	0.6
67.05495	5.7
69.03433	2.3
69.07045	1.8
69.50699	3.8
71.04969	1.1
77.03928	0.5
79.05042	0.7
79.05479	7.9
81.03391	0.8
81.07056	2.1
83.04951	1.4
85.06518	0.5
91.05463	17.9
93.06462	0.6
93.07023	9.0
95.04977	2.4
95.08576	0.9
97.06516	0.7
103.05451	4.8
105.03365	1.1
105.07010	12.5
107.04933	3.2
107.08553	3.5
109.06502	1.0
109.10111	1.3
115.05417	3.5
116.06207	1.9
117.06203	0.8
117.06996	15.2
119.04871	0.6
119.08549	3.6
121.06483	4.2
121.10150	2.2
123.04417	0.8
123.08041	1.0
123.11653	0.6
128.06168	1.3
129.06985	2.0
129.57835	0.4
130.07753	5.4
131.04912	1.5
131.08571	2.6
131.44519	0.5
133.10098	2.7
134.07304	0.6
134.66492	0.5
135.04384	1.7
135.08003	2.3
135.11655	2.4
143.08519	1.5
144.05693	0.9
145.06430	2.7
145.10092	15.4
146.05991	0.5
147.08032	0.7
147.11681	1.2
149.05949	5.2
149.09563	0.7
149.13284	0.7
153.06969	1.2
155.08507	5.0
158.07242	1.1
158.10907	0.4
161.05971	1.1
162.05516	0.5
162.06720	2.3
163.07500	0.7
163.11171	6.6
163.14833	0.7
173.09592	29.5
173.13075	2.3
174.09953	0.9
175.07495	1.3
191.10632	100.0
191.14224	7.1
192.06635	0.4
192.11092	2.3
200.57666	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1062
Annotation	Bruguierol A
Peak:m/z	Relative Intensity
53.03918	1.1
55.01849	0.6
55.05495	1.6
57.03419	0.5
57.07063	0.8
59.04982	0.5
65.03936	0.6
67.05170	0.4
67.05493	5.6
69.03430	1.8
69.07062	2.0
70.28420	0.4
71.04964	0.9
71.63165	0.7
79.05052	0.7
79.05482	11.1
81.07042	2.8
83.04949	1.2
83.64983	0.4
86.64381	0.4
91.05470	16.5
93.07032	11.3
95.04961	2.2
95.08588	2.1
103.05456	5.5
105.03358	0.5
105.07012	11.2
107.04924	3.5
107.07942	0.6
107.08584	5.7
109.06515	1.0
109.10135	1.6
115.05440	3.3
116.06213	1.6
117.06207	0.7
117.07008	13.6
119.08582	2.7
120.05652	0.4
121.06481	3.6
121.10127	6.1
122.03213	0.6
123.04388	0.7
123.08074	0.6
124.08497	0.4
128.06218	1.1
129.06996	2.1
130.07768	5.3
131.04948	1.6
131.08537	1.7
133.06473	0.8
133.10126	1.9
135.04405	2.2
135.08015	1.7
135.11670	3.6
143.08517	1.9
144.05644	0.5
145.06459	2.6
145.10101	14.2
147.11664	0.9
149.02338	0.9
149.05978	5.8
149.09514	0.5
149.13208	1.2
150.02649	3.5
153.06969	0.8
155.08533	4.6
158.07230	0.8
162.05525	0.7
162.06699	2.3
163.11154	6.3
167.79533	0.4
173.09604	30.3
173.13225	2.1
173.15514	0.4
174.09982	0.7
191.10646	100.0
191.14220	6.5
191.17900	2.4
192.11125	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1064
Annotation	Aristelegone A
Peak:m/z	Relative Intensity
50.27489	0.5
53.03934	1.8
55.01856	1.4
55.05514	2.7
56.96558	0.6
57.03431	0.8
57.07060	0.7
59.04983	1.0
65.03921	1.6
67.05163	0.7
67.05500	6.4
69.03411	3.4
69.07042	1.9
69.65385	2.9
69.65794	1.2
71.04977	1.8
79.05482	20.8
79.20244	0.6
81.07035	3.7
83.04513	0.7
83.04977	2.1
83.08567	0.7
86.04435	0.6
91.05469	17.3
91.97993	0.6
93.07033	12.1
95.04962	4.5
95.05514	0.7
95.08576	2.0
97.02859	0.8
97.06493	0.8
98.70718	0.5
103.05459	6.7
105.03340	0.8
105.07017	23.4
107.04944	6.1
107.08575	7.7
108.90417	0.7
109.06521	2.9
109.10122	2.0
115.05456	3.0
115.41838	0.5
116.06181	1.0
117.07003	15.5
118.04103	0.8
119.04920	1.4
119.08553	6.0
121.06483	12.6
121.10129	4.5
123.08050	1.3
123.11695	1.4
128.06181	1.7
129.06982	3.5
130.07776	5.5
131.04881	2.1
131.08540	5.0
132.05574	0.5
133.10107	6.4
134.07195	0.6
135.04390	7.5
135.08054	4.7
135.11676	2.7
137.05991	0.6
137.09669	0.6
143.08527	2.2
145.06439	4.1
145.10100	20.2
146.05986	1.6
147.08063	1.2
147.11685	2.3
149.05957	33.2
149.09601	1.6
149.13228	1.8
150.06357	0.7
153.06943	0.7
155.08521	4.1
158.07260	1.0
158.10863	1.1
160.05054	1.0
161.09570	0.8
162.06740	1.7
163.03894	0.7
163.07475	2.0
163.11165	16.3
167.96970	0.7
173.09608	28.4
173.13182	5.0
191.03366	1.4
191.06999	4.1
191.10645	100.0
191.14249	15.6
192.06400	0.7
192.08115	0.6
192.11000	2.2
192.13843	0.7
192.17537	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1064
Annotation	Bruguierol A
Peak:m/z	Relative Intensity
52.75723	0.5
53.03933	0.5
55.01864	0.5
55.05500	1.7
57.07084	0.4
63.02879	0.5
65.03917	0.6
65.62516	0.4
66.85030	0.4
67.05495	4.7
69.03427	2.0
69.07047	2.0
69.52905	3.8
71.04974	1.1
77.03912	0.5
79.05479	7.7
81.07056	2.4
83.04948	1.3
87.21710	0.4
91.05464	15.4
93.07030	6.9
95.04935	1.4
95.08572	1.2
97.16128	0.4
103.05455	4.4
105.03412	0.7
105.07024	10.9
105.07735	0.7
107.04943	3.0
107.08572	4.0
109.06483	1.8
109.10133	1.2
115.05441	3.0
116.06223	0.9
117.07002	14.8
119.08540	3.3
121.06494	4.0
121.10103	2.4
123.04352	0.6
128.06177	0.9
129.06947	2.4
130.07764	4.7
131.04897	2.3
131.08531	1.8
132.05658	0.5
133.06442	0.6
133.10095	1.3
135.04381	1.3
135.08003	1.9
135.11668	1.6
143.08525	2.0
144.05670	0.7
145.06465	2.1
145.10097	15.9
147.04424	0.5
147.11623	0.5
149.05949	5.5
149.09593	0.9
149.13313	0.5
153.06924	1.1
155.08540	4.6
158.07259	1.0
162.05589	0.5
162.06674	2.4
163.11156	7.2
172.77150	0.4
173.09598	32.0
173.13188	2.0
174.09898	0.9
191.10640	100.0
191.14207	8.1
192.06458	0.6
192.11125	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1063
Annotation	3-Dimethylallyl-4-hydroxybenzaldehyde
Peak:m/z	Relative Intensity
53.03930	3.9
55.01859	1.5
55.05505	5.5
55.17557	0.9
57.07067	26.7
57.22955	0.9
65.03938	1.2
67.05200	1.1
67.05494	10.4
69.03391	1.8
69.07048	8.1
70.40311	4.1
71.04988	13.3
79.05484	71.0
80.05803	2.1
81.07050	11.4
83.08596	4.1
85.06534	15.6
87.00724	0.9
91.05469	48.1
93.07037	30.2
95.04949	6.8
95.08593	16.6
97.10126	1.4
103.05457	12.7
105.03370	7.1
105.04496	1.8
105.07018	25.2
107.04942	16.7
107.08577	24.4
109.06485	2.9
109.10157	7.0
111.08117	1.2
115.05441	1.2
117.07008	16.0
119.08601	5.6
121.06483	8.8
121.09301	1.5
121.10129	20.2
123.08060	1.0
123.11648	2.4
124.68977	1.1
129.06958	1.3
130.07765	2.8
131.04890	3.5
131.08551	5.4
132.05524	1.1
133.10117	3.4
135.04399	69.9
135.07977	2.2
135.11682	14.2
136.04675	1.7
137.05923	3.1
143.08514	2.3
144.05685	1.7
145.06480	5.3
145.10109	30.5
145.11264	1.6
146.58290	1.0
147.11653	4.1
149.05963	51.4
149.13266	5.2
155.06062	1.0
155.08487	3.4
158.07297	2.1
163.11134	9.1
163.14822	1.8
167.07086	1.9
173.09625	8.9
173.13243	8.1
191.03453	1.2
191.10648	100.0
191.14275	18.0
191.17905	27.8
192.11003	2.9
197.57108	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1064
Annotation	Aristelegone A
Peak:m/z	Relative Intensity
56.96547	1.3
65.44280	0.4
67.05489	0.9
69.07050	0.5
70.75103	1.0
72.46055	0.3
79.05479	2.4
81.02627	0.4
81.07025	0.3
83.04971	0.4
91.05470	27.8
92.05813	0.4
93.07022	0.6
93.65347	0.4
103.05464	2.9
105.07013	8.5
105.07668	0.7
107.04926	1.2
107.08578	1.0
109.10107	0.5
115.05416	2.4
116.06244	0.8
117.07001	21.2
118.07329	0.4
118.38173	0.4
119.08538	0.4
121.10117	0.5
123.08082	0.4
128.06207	0.6
129.06995	2.5
130.07773	3.1
131.04910	10.8
131.08556	3.9
132.05727	0.5
133.02826	0.4
133.06538	0.4
133.10121	1.4
135.04402	28.9
135.08034	1.0
135.11678	0.4
136.04791	0.8
142.20851	0.4
143.08527	4.2
145.06454	2.7
145.10103	100.0
146.10425	2.4
147.08069	0.3
147.11607	0.9
148.02803	0.7
149.06010	2.0
149.09587	0.8
149.13338	0.4
155.08543	3.5
157.03351	1.6
163.07552	1.2
166.73682	0.4
168.54163	0.4
173.06006	2.1
173.09604	27.1
173.13156	0.9
174.10020	0.7
191.06985	2.5
191.10629	7.5
191.14285	2.3
192.37836	0.4
203.07013	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1063
Annotation	Aristelegone A
Peak:m/z	Relative Intensity
53.03983	1.4
55.01904	1.4
55.05560	2.9
56.96624	0.8
57.07108	1.0
59.05041	1.8
63.92235	0.7
65.03991	0.8
67.05555	5.1
69.03139	1.1
69.03481	3.5
69.07119	5.3
70.07623	2.8
71.05041	2.3
72.93803	1.0
73.02950	1.0
79.05478	10.1
81.03454	0.7
81.07034	5.3
83.05019	2.8
83.08646	0.9
85.06586	0.7
91.05461	37.4
92.05864	1.0
93.07024	31.6
93.24332	0.6
93.28992	0.6
95.04958	4.0
95.08573	4.6
97.02918	0.9
97.06567	1.8
99.99739	0.6
103.05470	4.0
105.03458	0.8
105.04550	1.0
105.07006	27.5
107.04944	6.3
107.08563	13.2
109.06522	3.2
109.10177	3.0
109.45942	0.6
113.07135	2.5
115.05455	2.0
116.06284	0.7
117.06990	21.1
119.08526	6.8
121.06493	6.7
121.10123	7.9
123.08089	2.2
123.11721	0.9
125.02374	0.6
128.06226	1.1
129.06995	2.5
130.07744	6.9
130.21417	0.7
131.04915	6.0
131.08548	11.5
133.10107	9.5
135.04398	10.3
135.08015	8.8
135.11641	4.0
136.05196	1.2
136.33948	0.7
137.05962	2.6
137.09624	1.1
143.08543	5.4
145.06465	3.7
145.10089	100.0
146.05940	1.6
146.10439	2.9
147.08002	1.6
147.11649	7.4
147.29733	0.6
149.05952	11.3
149.09557	3.3
149.13245	3.9
150.02679	1.1
151.04485	0.6
155.08499	1.9
158.07278	1.4
158.10855	2.7
160.05023	0.9
161.05965	0.8
161.09534	1.8
163.07524	1.9
163.11128	5.0
163.14769	1.4
173.05847	1.1
173.09592	13.7
173.13223	9.6
173.25735	0.7
174.05336	0.7
176.11845	0.7
191.03337	12.8
191.06871	5.3
191.08521	1.4
191.10529	28.6
191.14259	37.6
191.17827	2.4
192.06444	1.0
192.09998	1.0
192.17294	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1063
Annotation	Aristelegone A
Peak:m/z	Relative Intensity
51.53508	0.4
53.03934	1.1
55.01853	0.9
55.05503	1.8
57.03410	0.4
57.07058	0.8
65.03937	0.5
67.05495	5.5
69.03407	1.7
69.07050	2.1
69.43604	2.1
69.44039	1.2
71.04969	1.2
77.03918	0.6
79.05480	10.3
81.03385	0.6
81.07040	2.7
83.04955	1.2
87.97553	0.3
89.50076	0.3
91.05466	16.4
93.07030	9.6
95.01923	0.5
95.04961	2.7
95.08601	1.7
97.06480	0.7
103.05437	5.2
105.03391	0.9
105.04465	0.6
105.07018	10.5
107.04943	3.2
107.08582	5.1
109.06474	1.3
109.10139	1.0
111.04465	0.6
115.05426	3.1
116.06200	1.6
117.07001	14.0
119.04896	0.4
119.08543	3.2
121.06471	4.3
121.10136	2.9
123.04371	0.5
123.07198	0.4
123.08060	0.8
123.11630	0.4
124.44968	0.4
128.06178	1.4
129.06972	1.9
130.07765	5.8
131.04857	1.6
131.08540	2.5
133.06467	0.7
133.10098	2.6
135.04414	2.1
135.08034	2.1
135.11716	1.9
137.35284	0.3
141.39680	0.3
143.08545	1.7
144.05681	0.8
145.06479	2.5
145.10092	17.2
146.06010	0.8
146.10555	0.4
147.11635	0.9
149.05946	6.1
149.09583	1.3
149.13203	0.8
150.02606	0.5
153.06972	1.3
155.08504	4.7
158.07231	0.8
160.05081	0.5
161.05983	0.6
162.06755	2.4
163.07552	0.7
163.11151	7.5
163.14746	0.4
167.59692	0.5
173.09596	28.9
173.13152	2.7
174.09967	1.0
189.09062	0.4
191.07088	2.3
191.10635	100.0
191.14217	8.1
192.06471	0.7
192.11063	2.8
201.09688	0.4
214.86406	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.07
Annotation	1,2,3,4-Tetrahydro-4-oxo-1-naphthoic acid
Peak:m/z	Relative Intensity
50.01616	0.3
55.01865	1.2
55.05502	0.6
55.33829	0.3
57.07067	0.5
59.04997	0.5
67.05498	0.5
67.06899	0.3
69.03421	1.0
69.07053	0.7
69.63748	2.0
71.04969	0.4
72.17064	0.3
79.05483	2.0
81.07050	1.0
83.04971	0.6
84.08109	0.3
85.06528	0.8
86.09679	0.5
91.05457	3.5
93.07025	1.6
95.04968	0.8
95.08580	0.7
100.69708	0.3
103.05457	5.2
105.07010	3.0
107.04941	4.2
107.08597	2.0
107.97992	0.3
109.06505	0.4
109.10126	0.8
110.07127	0.3
115.05441	3.8
116.06217	0.4
117.06998	17.5
119.04948	0.3
119.08541	1.2
121.06475	1.4
121.10122	1.1
123.08067	0.5
123.11668	0.5
127.05441	1.2
129.78595	0.3
130.04141	0.3
131.04906	43.3
131.08499	2.3
132.05197	0.7
133.06459	0.6
133.10106	1.8
133.10995	0.3
135.04396	0.5
135.07964	1.6
135.11620	0.6
145.06459	100.0
145.10085	2.6
146.06865	2.0
147.04399	0.5
147.08029	0.6
147.11668	1.2
148.05170	1.0
149.05956	16.1
149.09576	0.8
149.13240	0.7
150.96860	0.4
155.05997	7.5
163.03931	0.6
163.05984	0.6
163.07515	4.2
163.11134	0.4
167.05577	0.4
173.02202	0.3
173.05898	1.8
173.09602	1.0
173.13228	1.3
176.04642	0.6
191.03305	0.7
191.05446	0.6
191.06998	12.4
191.10564	1.9
191.14278	4.6
192.06482	1.0
212.89424	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1062
Annotation	Bruguierol A
Peak:m/z	Relative Intensity
53.03920	1.3
55.05498	1.5
58.92236	0.9
67.05489	6.3
67.49621	0.9
67.96635	1.2
69.03417	2.4
69.94485	1.8
69.94894	4.8
79.05493	6.6
81.07011	2.0
83.04926	1.4
91.05465	15.6
93.07027	6.3
95.04961	2.4
98.21432	2.5
103.05438	4.7
103.55031	1.2
105.07018	11.3
107.04921	2.5
107.08568	3.5
109.06528	1.6
110.40791	1.1
115.05438	2.7
116.06244	2.2
117.06998	16.8
119.08553	2.3
121.06487	2.8
121.10095	2.3
129.06955	3.8
130.07773	5.2
131.04868	1.7
131.08557	2.5
133.10086	2.4
135.04385	1.7
135.11656	1.8
143.08530	1.4
145.10095	16.9
146.06042	1.7
149.05933	5.7
149.08162	3.0
153.06960	1.2
155.08461	5.1
162.06715	1.9
163.11122	8.0
173.09595	32.8
177.07788	1.0
191.10634	100.0
191.14171	7.4
192.08456	1.5
192.10106	1.7
192.12396	2.0
192.17487	1.3
204.88141	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.07
Annotation	1,2,3,4-Tetrahydro-4-oxo-1-naphthoic acid
Peak:m/z	Relative Intensity
50.01594	0.3
51.02375	0.3
53.00312	0.3
53.03935	0.8
55.01859	1.0
55.05493	0.2
56.96559	12.7
62.59224	0.1
63.02392	0.3
65.03931	1.2
66.55586	0.2
67.01858	0.7
67.05484	0.9
67.80544	0.2
68.71130	0.1
68.99780	0.7
69.03424	0.5
69.07055	0.2
69.30162	2.0
69.62927	0.2
77.03928	0.7
78.04704	0.5
79.05482	10.0
81.03400	0.3
81.07046	0.4
83.01357	0.2
83.04961	0.2
85.02909	0.3
89.03905	0.5
91.05467	37.5
92.05804	0.6
93.03406	0.3
93.07029	2.0
95.04959	2.7
95.08600	1.0
98.21546	0.2
99.00801	0.4
102.04642	1.2
103.05456	13.1
104.06232	0.7
105.03389	1.4
105.04535	0.5
105.07016	48.0
106.07325	0.6
107.04943	7.5
107.08580	2.4
109.02872	0.4
109.06494	0.6
109.10149	0.4
115.05438	64.4
116.06309	3.5
117.07000	100.0
118.07304	1.7
119.04932	2.6
119.05814	0.2
119.06123	0.2
119.08556	6.0
120.05733	1.3
120.08082	0.2
121.02861	0.4
121.06503	2.1
121.10116	0.5
123.04430	0.6
123.08048	1.7
123.93309	0.2
127.05425	3.0
128.01236	1.5
128.06200	3.7
129.06996	1.5
130.01657	0.8
130.04120	0.9
131.01273	0.5
131.03976	0.3
131.04909	3.8
131.08563	0.7
132.05696	2.6
133.02861	0.3
133.06487	1.4
133.10094	0.8
134.03622	0.3
135.04419	1.0
135.08031	7.8
135.11630	0.2
137.01749	0.4
138.41368	0.2
139.02258	0.7
142.02820	0.6
144.05673	0.7
145.02858	0.9
145.06462	65.0
145.10129	0.9
146.05815	0.2
146.06841	1.3
147.04404	0.6
147.08018	3.7
148.02786	5.0
148.05171	2.9
148.52933	0.2
149.02298	0.2
149.05989	2.0
149.09598	0.4
151.07541	0.2
155.04875	1.1
155.06013	3.1
157.03328	18.4
157.07556	1.5
157.53517	0.8
158.03595	2.3
159.53607	2.8
160.05127	0.3
161.05933	0.4
163.07518	40.0
164.07898	1.1
166.03865	1.2
168.54121	6.2
171.04356	0.9
173.05957	90.4
173.13232	0.7
174.06293	2.2
175.07527	1.5
176.04680	1.3
176.07892	0.4
180.04881	1.0
186.09003	0.8
191.06999	98.0
191.14226	1.8
192.07375	2.2
203.07005	10.3
204.07339	0.3
213.03036	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	190.086
Annotation	3-Indolepropionic acid
Peak:m/z	Relative Intensity
52.37037	0.5
55.01860	1.1
56.96565	0.7
57.03429	0.6
59.45330	0.5
71.61922	0.7
73.02901	4.1
73.83898	0.5
79.05498	0.7
83.04980	0.5
84.04489	1.0
85.02916	0.7
89.03901	0.7
91.05461	2.5
93.07030	0.5
103.05437	1.4
105.07008	0.6
107.04877	0.7
115.05441	2.0
116.04965	0.8
117.05737	0.9
117.06994	6.7
118.06528	20.7
119.01815	0.5
120.04430	0.7
120.08078	1.5
121.02843	0.7
130.06502	100.0
131.04938	2.2
131.07242	0.7
132.08058	2.5
137.05946	1.2
142.06480	0.8
143.07294	5.5
144.08055	68.7
145.06445	4.9
145.08395	0.9
145.10095	0.7
146.05994	1.3
149.02315	4.1
149.05942	0.7
149.96069	0.6
154.06465	1.3
155.05986	1.0
160.07498	3.6
162.05473	51.2
163.05754	1.4
167.05553	1.3
169.03421	0.8
172.03841	0.8
172.07535	25.0
172.12074	0.6
173.08047	1.2
173.09435	0.8
190.04933	26.4
190.08548	14.1
190.12312	1.1
191.03340	1.0
191.05377	0.6
191.06956	1.6
191.10571	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	190.0495
Annotation	Kynurenic acid
Peak:m/z	Relative Intensity
53.66660	0.2
56.64412	0.2
70.31393	0.2
71.05804	0.5
71.06152	0.3
72.93779	0.2
75.25358	0.3
87.47089	0.2
89.03911	0.9
95.54362	0.2
116.04964	2.1
117.06985	0.2
127.10526	0.2
130.06512	0.7
136.42918	0.3
137.05983	0.3
144.04416	0.7
144.08058	0.5
150.93489	0.2
162.05476	100.0
163.05814	2.4
164.05960	0.3
172.07558	0.3
190.04959	48.8
191.05359	1.4
191.36380	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1598
Annotation	N6,N6,N6-Trimethyl-L-lysine
Peak:m/z	Relative Intensity
56.05026	1.2
58.44524	0.4
60.08154	30.0
67.05495	2.7
70.63610	1.2
74.02425	0.6
84.08129	100.0
85.06521	0.8
85.08465	0.6
86.09734	0.4
112.89606	2.0
114.89333	2.7
130.08620	50.3
131.08939	0.5
144.13802	2.7
156.88510	0.4
189.15948	32.9
190.16457	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1595
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21828	0.3
55.01865	3.1
55.05502	2.1
56.05031	1.5
57.03429	5.5
57.04559	0.4
59.05003	1.0
60.08154	29.1
61.02916	0.4
62.00505	0.4
67.05486	2.0
68.99788	1.0
69.03419	1.5
70.06583	6.4
71.01338	1.7
71.04975	0.8
71.22199	0.7
72.08144	25.2
73.02897	2.0
74.02431	0.4
74.07198	2.1
76.49389	0.4
78.95633	0.5
83.01328	1.3
83.04958	0.5
84.04488	0.8
84.08130	100.0
85.02906	2.9
85.06534	1.7
85.08472	1.4
86.06085	0.4
86.09689	5.8
87.04441	3.1
89.02374	0.8
91.05443	0.4
94.93012	1.2
95.01313	0.6
101.02358	6.7
103.03957	0.5
111.00788	1.6
112.89610	0.9
114.89327	1.0
115.03912	7.3
116.07069	3.3
118.08630	4.5
119.01900	0.5
126.05463	0.8
126.09132	2.2
127.00281	1.6
129.01836	2.4
130.08618	47.6
131.08934	0.5
132.10153	2.0
133.03473	0.5
139.00235	2.1
143.03372	0.7
143.11766	2.6
144.06560	0.5
144.09056	0.3
144.11328	1.2
144.13806	3.9
156.09351	0.5
156.88492	0.4
157.01308	6.0
159.02866	1.3
162.05498	0.4
171.02821	1.0
172.10840	0.8
175.02393	1.3
189.03888	0.7
189.05669	0.4
189.07295	2.7
189.08887	0.6
189.13321	2.5
189.15950	29.3
190.14339	1.9
190.16130	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.127
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	0.7
55.05483	2.5
65.03905	0.8
65.24275	0.6
67.05482	2.0
69.03416	7.5
69.07046	1.5
69.78473	1.5
69.78889	2.8
71.04993	0.7
79.05461	2.7
81.03397	0.7
81.07024	2.4
83.04949	2.7
84.08121	1.1
85.02888	2.5
86.09673	1.5
87.00823	0.6
91.05470	5.0
93.07028	2.9
95.04944	1.9
103.05437	0.7
105.06376	1.0
105.07015	14.6
107.04935	0.9
107.08591	3.1
109.06502	1.4
109.60861	0.6
115.05451	1.2
117.06992	2.7
119.04916	1.8
119.08556	26.9
121.06478	1.0
121.10094	1.4
128.06181	2.3
129.05452	0.6
129.06978	3.0
130.07741	1.5
130.08643	0.6
131.04890	0.7
131.08537	7.9
132.05228	1.1
133.06540	2.8
133.10110	7.9
135.08040	3.5
139.00276	0.7
139.55136	0.6
141.06973	2.4
142.07785	0.8
143.08563	6.0
145.06427	2.1
145.10106	7.2
146.07274	1.0
146.10867	1.4
147.04381	1.3
147.08012	12.9
147.11662	17.3
149.02344	1.0
154.51367	1.0
155.08551	0.9
156.09323	19.8
159.08012	8.2
159.11678	4.2
160.04903	1.5
160.08809	4.2
161.05641	3.2
161.09624	4.9
161.13231	13.8
162.05498	1.0
164.65927	0.6
171.08131	0.8
171.11656	27.0
172.11967	0.8
174.02625	4.1
174.06792	1.0
174.10376	21.4
174.11865	1.4
189.05148	12.9
189.09123	5.4
189.12703	100.0
190.04930	0.9
190.08583	0.8
190.13014	3.6
192.03918	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1271
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	1.5
55.05494	3.1
55.27154	0.8
58.66665	0.9
59.04990	0.8
59.67693	0.8
59.91594	0.9
67.05482	2.1
68.99783	1.1
69.03416	7.0
69.07028	2.1
71.01514	1.0
71.01846	2.2
71.04967	1.3
72.08120	1.2
74.05994	0.8
79.05457	3.5
81.07016	1.6
83.04947	2.4
85.02890	3.8
86.09687	1.9
91.05470	18.2
93.07016	3.2
95.04952	3.2
95.08578	1.5
97.26044	0.8
97.62348	1.1
103.05467	1.4
105.06371	1.5
105.07021	19.8
107.04938	1.5
107.08559	2.3
109.06464	1.5
115.02184	0.9
115.05431	5.7
116.06175	2.3
117.07009	7.2
119.04958	1.0
119.08569	24.2
119.09435	1.3
121.06478	3.3
121.10115	1.2
128.06198	13.7
129.06987	11.0
130.07724	3.4
131.08549	75.1
133.06465	4.6
133.10110	7.8
141.06978	5.1
143.08548	16.3
144.09293	1.8
145.06459	4.7
145.10103	19.4
146.07166	1.8
146.10886	1.7
147.04352	1.0
147.08011	11.8
147.11667	38.5
149.02347	1.3
155.05998	1.1
155.08603	1.3
156.09320	31.6
159.08072	4.5
159.11647	8.7
160.05208	1.2
160.08751	2.3
161.05910	3.9
161.09599	10.7
161.13254	5.1
162.05460	1.4
171.08017	3.6
171.11661	42.6
174.06749	2.6
174.10387	6.3
189.05342	3.6
189.09129	20.2
189.12712	100.0
189.16313	3.0
190.12982	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	189.1271
Annotation	Unknow
Peak:m/z	Relative Intensity
55.88295	0.8
69.03408	4.2
69.95020	2.4
69.95429	3.8
79.05464	1.5
80.15832	0.8
81.42595	1.0
83.04946	1.1
89.26755	0.9
91.05454	3.5
98.20850	1.4
101.76711	0.9
105.07016	9.7
107.08576	2.5
115.05369	1.0
117.06979	2.4
117.44099	1.0
119.08562	15.3
121.10172	1.0
126.26701	0.9
128.06149	1.0
130.07773	2.0
131.08525	6.2
131.76569	1.1
133.06529	1.7
133.10112	4.4
141.06958	5.7
143.08551	5.2
145.10095	15.1
147.08037	7.6
147.11655	12.7
155.08507	1.4
156.09319	37.5
156.20607	1.0
157.09634	1.2
159.08081	4.7
159.11668	11.8
160.08774	1.4
161.09521	2.3
161.13210	5.6
171.11662	49.8
172.12015	1.3
174.10356	8.6
189.12717	100.0
190.13109	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	189.1231
Annotation	H-ILE-GLY-OH
Peak:m/z	Relative Intensity
55.01857	1.0
55.05492	1.2
55.52739	0.4
56.05027	0.4
56.96557	4.4
57.03432	2.5
60.08153	4.1
61.02917	0.6
64.77737	0.4
69.03426	2.0
69.07050	1.2
70.06577	1.3
70.75633	1.0
71.01328	0.4
72.08137	4.1
73.02892	1.4
73.06558	0.6
81.03404	1.1
84.04498	0.6
84.08130	17.2
85.02890	2.4
85.06529	0.7
85.08463	0.6
86.09691	100.0
87.04452	0.9
87.10027	1.3
91.05479	0.6
97.02879	2.1
98.21622	0.3
98.97557	2.5
99.04447	0.3
101.02348	0.9
106.96538	0.4
107.04947	1.1
110.97541	0.7
115.03922	0.4
116.07059	0.6
116.52013	0.4
116.98613	1.6
118.08640	0.5
119.01840	1.1
120.04696	0.3
127.00674	0.7
128.02263	1.6
128.98616	1.0
129.02138	0.4
130.02773	0.4
130.08624	6.9
131.00270	0.3
134.99646	0.9
139.00264	0.5
143.06346	0.7
144.13814	0.5
145.01666	2.5
145.03409	0.4
147.03279	0.8
147.05009	0.4
154.03856	8.8
154.54034	0.6
155.04671	0.6
157.01282	0.8
159.04123	0.5
161.05884	0.4
162.05447	3.3
163.02815	2.3
163.04393	5.4
163.54533	1.0
165.04288	0.4
165.54704	0.7
168.03551	0.4
171.02953	0.4
173.01215	0.6
177.00703	0.4
177.04132	4.9
177.54297	0.4
189.03955	0.6
189.06856	1.0
189.12309	2.8
189.16022	4.4
190.04991	1.2
209.03378	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1117
Annotation	3-(2'-Hydroxyethyl)-5-(2''-hydroxypropyl)-dihydrofuran-2(3H)-one
Peak:m/z	Relative Intensity
53.03932	2.6
53.14439	1.4
53.24041	1.3
55.01858	7.7
55.05500	24.2
57.03427	35.4
57.07064	73.2
58.46681	1.5
60.55536	1.4
61.02920	14.3
65.03931	2.1
67.05489	10.1
69.03420	15.0
69.07059	25.9
69.14810	1.5
69.33554	16.1
71.01347	4.5
71.04977	4.4
71.08611	4.8
73.02908	11.7
76.42771	1.5
79.05486	17.0
81.03412	2.3
81.07040	36.3
83.04982	12.1
83.08596	15.5
85.02890	20.5
85.06532	42.9
87.04446	4.1
87.08102	2.6
91.05467	6.8
93.07023	14.8
95.04948	5.0
95.08598	9.2
97.02887	4.1
97.06486	3.4
97.82494	1.3
98.21523	3.2
99.04468	2.3
99.08062	5.1
102.92955	1.6
103.03953	2.9
105.07009	4.0
107.08571	6.5
109.06521	4.1
111.04432	5.8
111.06441	1.6
111.08060	14.9
117.06966	2.1
119.08599	3.5
125.09589	6.5
127.07533	100.0
128.06161	1.6
129.05495	2.6
129.09084	7.1
132.18974	1.8
133.10115	3.0
135.08003	3.2
141.09084	6.7
147.11655	2.0
149.02332	6.2
153.09077	29.9
156.05804	1.7
171.10144	12.8
171.11530	2.6
189.09256	2.9
189.11169	6.0
189.12741	6.7
189.16379	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	189.0908
Annotation	cis-2,3-Dihydro-2,3-dihydroxybiphenyl
Peak:m/z	Relative Intensity
53.07643	0.5
55.01874	2.9
55.05494	0.7
56.96565	0.5
57.03419	0.5
59.72194	0.6
65.03899	0.6
65.56837	0.6
67.05478	1.8
69.03411	2.3
69.75602	4.1
79.05479	1.3
81.07013	0.9
83.04968	1.4
83.08601	0.8
86.94123	0.5
87.04446	0.7
87.90430	0.6
91.05460	11.0
92.36429	0.6
95.89771	0.6
97.10194	0.7
97.52831	0.5
101.02372	1.4
103.05452	4.1
105.03352	1.6
105.07015	6.9
107.08546	0.8
111.04419	1.0
115.03910	1.1
115.05442	10.6
116.06184	1.2
117.06209	1.1
117.07006	16.1
119.04925	0.9
119.08565	2.7
127.05376	1.3
128.06207	58.1
129.03326	0.9
129.05534	0.8
129.07010	9.2
130.07773	3.3
131.04904	2.1
131.08556	0.6
133.02855	3.9
133.06502	0.8
133.10086	1.7
135.04361	3.4
139.00276	1.0
141.06955	2.4
142.07773	1.4
143.04924	5.0
143.08540	39.3
145.06468	8.1
145.10103	10.4
147.04385	1.1
147.08022	1.8
147.11673	1.3
149.02319	2.2
152.06184	10.6
153.06975	49.4
154.07355	0.9
155.05992	6.0
156.09334	1.9
157.01326	2.4
159.08032	0.9
159.11737	0.6
161.05930	1.6
161.09654	0.9
161.13226	1.1
169.06570	1.5
171.08026	100.0
171.11691	2.5
172.08388	2.4
174.10408	1.4
179.06114	0.8
181.07579	2.0
189.05479	1.9
189.09087	78.7
189.12576	9.5
189.16370	1.8
190.09390	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.0702
Annotation	N-Methylquinolinium-2-carboxylate
Peak:m/z	Relative Intensity
63.34614	0.3
64.27629	0.4
68.95996	0.3
69.51141	3.0
75.23103	0.5
91.05460	2.5
98.21448	0.6
103.05412	0.6
115.05429	4.2
117.05717	1.2
117.06991	3.3
118.06519	54.8
119.06853	0.9
142.06499	5.7
143.07288	9.9
144.04436	1.1
144.08054	22.3
145.06473	0.6
145.08379	0.7
146.05980	100.0
147.06303	2.3
153.47397	0.4
155.06007	0.8
160.07555	1.5
167.14140	0.4
170.05969	8.0
181.07607	0.4
188.07028	32.4
189.07378	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.0703
Annotation	Unknow
Peak:m/z	Relative Intensity
69.50987	2.7
69.51392	0.7
84.04491	0.5
91.05454	2.7
101.62892	0.4
103.05547	0.3
115.05432	4.2
117.05717	1.0
117.06996	3.5
118.06521	55.0
119.06841	0.9
132.08078	0.5
142.06511	4.9
143.07283	8.0
144.04428	1.0
144.08061	23.5
145.06425	0.7
146.05981	100.0
147.06320	2.3
155.06038	0.4
160.07512	1.0
170.05986	8.5
171.03430	0.4
188.07028	31.0
189.07332	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.0464
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.3
56.05014	0.4
57.03438	0.3
58.06574	0.3
61.02926	0.4
62.06792	0.3
62.81734	0.3
63.02383	0.3
65.03935	0.3
69.03419	1.1
71.63121	0.4
78.04695	5.8
79.05470	0.4
82.07350	0.3
82.97729	0.3
83.04967	0.3
84.04483	2.7
85.02901	1.0
86.09751	0.3
86.35921	0.3
87.04462	0.6
89.03915	1.2
91.05471	0.9
100.07628	0.4
102.04675	1.7
103.05432	3.2
104.06230	8.3
105.07041	0.7
106.04173	0.5
106.07286	0.3
107.04970	0.4
110.10420	0.3
112.11158	0.4
114.09134	0.4
115.05443	0.7
117.03364	0.4
118.04164	0.5
118.06516	0.6
119.04975	0.3
119.08546	1.2
121.02846	0.4
128.06155	0.5
128.07053	0.8
129.03351	0.8
129.06468	0.6
130.04150	0.8
130.07341	0.9
131.04906	16.2
131.08572	0.4
132.05692	8.3
132.08917	0.3
133.02824	0.5
133.06487	0.3
134.03630	1.0
142.04175	0.3
143.08517	0.3
145.02837	8.7
145.03967	0.7
145.10101	1.0
146.03540	0.4
146.05992	0.8
146.08116	0.4
147.04333	0.7
147.08005	0.7
147.11638	0.5
156.09343	1.4
159.04390	15.2
159.11678	0.4
160.05167	38.7
161.02298	0.6
161.05617	0.6
161.09550	0.4
161.13223	0.4
162.03052	0.8
164.04703	0.4
170.03574	1.0
170.08083	0.5
171.04381	0.9
171.11673	2.2
171.14908	0.6
173.02313	38.5
174.02734	1.2
174.10406	0.8
175.03838	0.5
177.01854	0.4
179.78270	0.3
187.03874	8.2
188.04648	100.0
188.17558	0.5
189.05090	4.3
189.09085	0.7
189.12704	6.0
191.03362	10.4
206.05707	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	188.0465
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	0.2
60.04518	0.2
65.03940	0.1
65.99212	0.1
67.86320	0.1
68.99783	0.5
69.03403	0.3
70.66885	0.6
77.03929	0.4
78.04700	3.9
79.05469	0.3
84.04495	0.4
85.02866	0.2
87.04456	0.2
89.03879	1.1
91.05458	0.6
92.11905	0.2
93.07021	0.2
95.04942	0.2
102.04665	0.8
103.05450	3.0
104.06230	8.3
105.03408	0.2
105.07046	0.9
107.04927	0.4
108.02045	0.2
115.05444	0.2
117.03377	0.5
117.07057	0.3
118.04161	0.8
121.02840	0.5
128.06163	0.4
128.07037	0.2
129.03371	0.6
129.06580	0.5
130.04102	0.5
130.07336	0.6
131.04903	13.7
132.02061	0.3
132.05693	7.1
133.02829	1.4
133.06433	0.6
134.03589	1.2
135.04361	0.6
142.04109	0.2
142.08578	0.2
143.08553	0.3
145.02820	8.5
145.03835	0.4
145.06195	0.2
146.03520	0.5
146.52522	0.4
147.04384	0.9
149.02707	0.2
154.51453	0.2
158.03365	0.4
159.04385	10.0
160.05165	37.1
161.02327	0.6
161.05544	1.0
162.03067	0.5
164.04649	0.2
166.02133	0.2
170.03609	1.3
171.04338	0.9
171.08089	0.4
173.02312	33.4
174.01335	0.2
174.02597	1.0
175.03764	0.4
177.01843	0.6
187.03879	8.5
188.04646	100.0
189.05101	3.4
189.09076	0.5
191.03358	8.7
192.03824	0.2
206.05702	7.7
207.06401	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.0464
Annotation	1h-[1,2,4]oxadiazolo[4,3-a]quinoxalin-1-one
Peak:m/z	Relative Intensity
51.02396	0.2
51.49566	0.1
55.01857	0.2
55.05499	0.3
57.03409	0.1
60.04522	0.2
63.02375	0.1
65.03926	0.2
69.03419	0.4
70.50817	0.5
74.61189	0.1
77.03929	0.3
78.04699	4.0
82.06606	0.2
83.04971	0.3
83.08561	0.2
84.04492	1.1
85.02908	0.3
87.04436	0.4
87.14517	0.1
88.02186	0.2
89.03915	1.4
91.05453	0.3
98.06000	0.2
102.04678	0.6
103.05455	3.1
104.06235	8.6
104.52663	0.1
105.03405	0.2
107.04962	0.3
108.02130	0.2
111.04414	0.3
115.05384	0.2
117.03368	0.5
118.04158	0.7
121.02861	0.5
125.09586	0.2
128.06239	0.2
128.07039	0.8
129.03362	0.6
129.05627	0.2
129.06573	0.7
130.04106	0.4
130.07332	0.7
131.04907	13.5
132.05707	6.7
133.02866	0.2
133.06076	0.2
134.03613	1.2
135.04404	0.4
137.51979	0.2
142.04143	0.3
142.08655	0.2
143.04927	0.3
145.02826	8.7
145.03874	0.4
145.10124	0.1
146.03532	0.5
146.08078	0.3
146.52513	0.4
147.04375	0.5
148.08406	0.2
149.02724	0.3
150.03035	0.2
152.06944	0.2
154.51410	0.3
158.03308	0.4
159.03052	0.3
159.04388	10.1
160.05170	39.6
161.02301	0.5
161.05495	1.2
162.03117	0.5
163.03828	0.2
164.04765	0.3
170.03575	1.3
170.08113	0.4
170.11819	0.2
171.04379	1.3
173.02316	32.4
174.02660	0.9
175.03880	0.5
177.01816	0.6
187.03879	8.7
188.04652	100.0
189.05006	3.3
189.09024	0.2
189.12697	0.4
191.03363	12.7
192.03780	0.4
206.05713	11.2
207.06082	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.0002
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35609	0.6
55.05489	1.0
55.93496	0.9
56.94312	3.9
57.07064	0.7
60.04488	1.1
61.02911	0.8
62.64690	0.7
64.47450	0.7
68.91490	0.6
69.03393	2.3
69.76006	5.0
70.95860	10.2
72.04516	1.0
72.93781	34.5
82.06550	1.0
83.04966	1.9
84.04477	2.5
85.02884	1.8
88.02189	0.9
88.96892	5.9
89.94017	1.7
90.94254	1.2
90.94811	18.9
100.07650	0.9
101.06889	0.8
102.94777	2.9
106.97878	1.0
107.95055	0.9
108.95843	7.2
111.04443	0.7
111.98445	1.1
113.96378	21.2
116.96342	17.4
118.94256	2.4
120.95827	2.2
122.97304	0.7
124.07581	0.9
125.96078	2.6
126.94941	0.7
128.07098	1.4
129.05460	0.8
129.99460	1.2
131.97417	17.6
132.95813	1.9
134.97379	25.9
136.95308	3.8
140.62343	0.7
142.08635	0.8
144.95805	4.1
146.08072	1.5
146.97359	5.5
150.96927	1.6
152.98424	1.5
154.99016	6.5
155.97386	1.3
157.98979	8.3
162.96878	4.0
164.98438	100.0
167.97351	0.9
169.99030	2.5
170.08138	1.9
187.22498	1.3
188.00029	30.5
188.09264	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	188.0001
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10297	1.4
56.94292	4.4
57.07030	1.7
69.03423	2.0
70.02001	1.5
70.06580	1.5
70.95867	9.9
71.60918	1.9
72.93385	3.0
72.93774	38.8
76.97903	1.7
82.06567	1.8
82.60976	1.5
83.00222	1.6
84.04479	3.8
85.02827	1.6
87.04453	4.6
88.02161	3.0
88.96863	4.8
89.94015	3.1
90.94811	21.6
95.05009	1.5
98.06046	2.6
100.07561	1.8
102.05522	1.6
102.94811	3.4
106.42548	1.4
106.97911	2.1
108.95824	4.4
110.06001	1.6
111.98458	2.0
113.96387	24.1
116.96358	14.9
118.94243	2.7
120.95808	1.7
125.96073	1.8
128.07066	8.1
131.97418	19.2
132.95818	1.8
134.97382	30.0
136.95320	4.2
142.08595	2.0
144.95799	4.3
146.08109	3.6
146.96193	1.5
146.97380	6.7
154.99007	7.5
157.99039	8.8
162.96898	6.9
164.98439	100.0
168.20544	1.6
169.98933	1.8
170.08038	3.4
187.22517	2.7
188.00038	33.4
188.09250	10.0
188.12796	2.0
193.68457	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.0001
Annotation	Unknow
Peak:m/z	Relative Intensity
55.93514	1.2
56.94304	4.5
70.95853	9.6
71.58180	1.0
72.93774	37.4
84.04467	2.3
87.04423	3.9
88.02167	1.0
88.96895	7.0
89.94012	2.4
90.94817	17.4
100.07622	1.3
102.05538	1.2
102.94798	2.4
103.97152	0.9
107.95048	2.1
108.95842	7.1
111.98488	1.2
113.96388	21.9
116.96343	18.2
118.94252	1.8
120.95838	2.1
125.96094	2.9
128.07076	4.7
129.99457	1.5
131.97421	18.5
132.95789	1.5
134.97372	26.8
136.95290	4.5
142.08546	1.3
144.95793	5.1
146.05984	1.1
146.08087	1.5
146.97353	7.1
150.96918	1.1
154.98982	7.8
157.98978	7.5
162.33109	1.0
162.96898	5.0
164.98433	100.0
167.97394	1.5
169.98909	2.2
170.08092	2.3
188.00012	29.7
188.09192	7.5
189.00320	1.5
196.20930	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.1075
Annotation	L-Alanyl-L-proline
Peak:m/z	Relative Intensity
53.03911	0.4
55.01859	5.5
55.05503	6.1
56.04995	1.0
56.96525	0.8
57.03403	0.9
58.06589	2.8
60.04495	0.4
63.61960	0.4
67.05491	3.4
68.61889	0.5
69.03384	1.9
69.07018	1.2
69.43939	0.5
70.06585	3.5
70.85980	1.5
71.01312	0.5
71.04948	1.7
72.04463	0.6
72.08132	4.3
72.93775	0.6
79.05475	2.5
81.03392	3.0
81.07047	21.9
82.06532	0.8
83.04924	1.2
83.08607	12.1
84.04489	3.2
84.08133	12.6
85.02891	3.2
85.06523	3.2
85.08434	0.5
86.03215	0.4
86.09655	1.0
87.04434	0.6
87.94301	0.4
88.02197	5.5
90.94749	0.4
91.05442	1.2
93.06975	0.7
95.04938	1.0
95.08549	1.7
96.01449	0.4
96.08102	0.9
97.02848	1.2
98.05997	0.5
98.09680	17.7
98.97518	0.5
99.04420	1.0
99.08023	0.6
100.07571	1.5
103.05421	0.6
103.95590	0.5
105.06992	0.8
108.08098	3.1
109.02860	1.3
109.06501	3.4
109.10144	0.6
110.05990	0.8
111.04416	0.6
114.05486	1.1
114.09180	0.5
115.05898	0.9
117.06993	0.5
118.06483	0.9
121.00754	1.0
123.08031	1.6
123.11658	0.5
124.07586	0.9
126.05516	0.6
126.09138	30.8
127.03909	2.1
127.05831	1.2
127.07627	0.9
127.12274	4.3
128.02333	0.6
128.06160	1.0
128.07047	0.9
129.06947	1.1
129.10190	0.5
130.08607	1.7
131.04871	1.2
131.08502	1.5
132.04341	0.6
132.95840	0.7
136.06168	1.3
139.01826	1.3
141.05403	0.9
141.07042	0.6
142.08633	4.9
142.12248	1.7
144.05670	0.9
144.10213	0.6
145.10091	0.6
146.05972	1.8
151.03828	0.6
151.08618	6.3
159.06955	0.8
159.08044	3.0
159.11574	0.7
163.01759	0.8
163.97678	1.7
164.02078	0.8
169.09703	100.0
170.06004	0.5
170.10065	1.7
170.11743	9.2
172.08810	0.6
173.00789	2.0
181.02913	1.3
181.98793	1.2
182.03271	2.2
187.02351	0.9
187.03909	3.0
187.06078	0.8
187.07539	6.6
187.10805	14.6
187.12636	2.0
187.14323	11.2
188.06964	0.6
188.09181	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.075
Annotation	4,4'-Dihydroxybiphenyl
Peak:m/z	Relative Intensity
51.02372	0.2
57.56802	0.2
58.37912	0.2
71.00149	0.2
71.00464	0.3
78.04732	0.2
88.02209	0.3
91.05464	5.9
102.12810	0.3
103.05453	2.7
115.05436	2.5
116.06229	4.9
117.07012	0.2
119.04930	0.3
127.05444	0.7
128.06204	36.9
129.06992	37.3
130.07307	1.2
131.04916	3.9
131.07570	0.3
131.08545	6.7
132.05196	0.3
141.06985	1.0
143.04875	0.4
144.05669	5.8
144.68454	0.2
145.06459	6.4
147.04399	0.3
147.08017	6.3
148.01872	0.2
155.04881	1.0
155.06020	4.6
156.05682	1.9
157.06447	1.9
157.07611	2.7
158.03564	0.9
159.08032	23.1
160.08388	0.8
171.04376	2.8
172.05156	7.3
173.05530	0.2
175.07487	0.3
185.07068	0.4
187.07515	100.0
187.22476	4.8
188.07849	3.5
205.04921	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	186.5714
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59033	1.2
53.03924	3.5
53.69759	1.1
55.01860	2.5
55.05494	6.1
55.93505	3.4
56.05017	1.4
56.94284	2.2
57.03415	3.6
57.07063	14.5
57.93548	1.8
60.04505	2.3
61.02887	1.9
65.03918	4.9
67.05499	7.2
67.49162	1.3
69.03407	2.4
69.07059	9.9
70.06573	2.9
70.95846	2.3
71.04964	1.7
71.08611	4.3
71.94073	5.4
72.04498	2.8
72.82339	1.2
72.93771	35.7
73.02897	1.9
79.05477	46.2
79.49423	1.1
80.05012	2.9
80.05803	2.4
80.06253	3.3
81.03377	5.5
81.06605	2.2
81.07032	13.1
83.04976	1.9
83.08592	3.1
84.04488	17.1
85.02886	76.7
85.10155	2.2
86.03217	2.9
86.50628	1.5
87.04430	1.3
88.02202	11.9
88.96899	1.6
90.94810	13.4
91.05454	11.7
93.03391	8.5
93.07017	28.3
94.07330	2.3
95.04954	6.8
95.08571	4.7
96.00934	1.2
96.04471	1.5
97.02856	2.2
98.06035	4.9
98.20665	1.7
99.04422	2.9
102.12820	2.2
105.07011	6.2
107.04922	15.4
107.08566	17.7
108.04457	5.6
108.95856	2.4
109.02835	2.1
112.07594	3.3
112.96679	9.7
113.04709	5.0
113.96378	68.3
114.05505	100.0
115.05909	2.5
115.96485	1.2
116.06222	1.4
116.96455	1.1
116.97153	7.3
117.06988	5.2
119.08521	4.8
119.51170	8.1
121.06479	7.1
121.10127	4.8
123.01161	1.9
123.08072	1.5
126.05495	78.0
126.51958	6.3
127.03874	3.7
127.05818	3.1
128.01848	1.5
128.06204	8.5
128.51685	7.6
128.95052	2.4
128.96303	1.9
129.01863	2.4
129.06972	8.6
130.07741	1.5
130.97704	4.9
131.01958	4.9
131.04927	1.4
131.08554	14.1
131.97411	65.7
132.97545	1.5
133.10098	3.5
135.52454	4.0
136.06129	1.3
138.02719	4.5
138.05431	1.5
138.52986	1.4
138.98398	2.4
139.98761	2.8
140.02504	2.7
140.07028	6.1
141.02176	4.0
142.03432	1.3
142.04857	1.4
142.08611	1.7
143.08499	2.7
144.24985	1.1
145.04955	3.8
145.06464	1.7
145.10098	24.8
146.96156	2.2
146.97226	1.4
147.03212	1.7
148.96107	1.2
148.98903	1.5
149.13231	29.9
150.13551	3.1
153.99252	2.4
154.97942	1.3
154.98984	27.5
155.00154	2.1
155.99242	1.7
159.08025	8.2
159.11606	8.5
161.99956	7.6
166.97795	1.8
168.06512	5.1
173.00783	1.7
176.01534	5.5
177.12709	3.0
181.02779	1.6
184.98930	3.5
186.05919	1.9
186.07588	26.7
186.09163	1.4
186.11205	3.3
186.13774	1.9
186.18550	6.3
186.22141	30.4
187.03859	3.8
187.07501	25.0
187.11122	8.8
187.12643	2.5
187.14743	20.8
187.22450	1.6
208.00529	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	185.117
Annotation	trans-(-)-2-Acetyl-1-isopropylcyclopropaneacetic acid
Peak:m/z	Relative Intensity
53.03918	2.3
55.01850	6.0
55.05499	13.7
56.05016	2.4
56.96546	2.7
57.03414	5.8
57.07058	2.4
58.06583	3.1
59.04983	3.5
65.03882	1.4
67.05153	2.1
67.05492	23.7
69.03425	8.2
69.07055	100.0
70.06565	2.8
71.04980	34.8
71.57434	2.3
72.04487	2.7
72.08124	3.2
73.06557	11.9
79.05048	2.4
79.05477	29.9
79.46278	1.7
80.04990	4.4
81.03385	4.7
81.07041	66.3
83.04961	7.3
83.08587	5.3
84.04513	8.3
84.08129	22.7
85.02884	29.3
85.06513	7.1
86.09694	13.2
87.04453	13.9
90.32465	1.7
91.05447	5.0
93.07021	30.0
95.04958	4.0
95.08588	18.4
97.02914	1.8
97.06517	29.5
97.10119	3.9
98.06023	2.5
98.09662	2.4
99.04446	2.6
99.08069	5.1
101.05988	3.2
102.96864	2.5
105.07016	5.0
107.04940	3.2
107.08589	14.1
108.04475	2.6
109.02856	1.9
109.06448	2.3
109.10096	4.5
109.15360	1.3
110.07103	1.7
111.04413	5.1
111.08029	5.6
113.04707	3.2
113.05982	2.0
114.05505	34.4
115.07540	5.4
119.08503	1.7
120.97870	5.3
121.00774	3.7
121.06465	4.3
121.10123	34.1
122.09622	2.2
123.08040	24.1
123.11662	5.6
124.07603	2.5
125.06016	7.0
125.07889	5.3
125.09565	4.9
126.05502	20.4
127.12290	8.5
128.06201	2.8
129.06949	4.0
131.08524	4.5
137.07066	1.7
138.98906	6.4
139.01811	10.4
139.07481	1.8
139.09503	2.6
139.11153	46.9
140.06999	3.8
140.10640	14.6
141.05415	1.6
142.07733	5.0
143.06999	19.2
143.08511	3.2
149.07085	2.8
149.09569	6.7
149.13237	1.9
155.08571	1.8
157.05014	1.7
157.06392	3.0
157.09937	2.2
161.08015	1.8
162.57782	1.8
163.01807	10.0
167.06934	3.2
167.08374	1.9
167.10638	33.9
168.06627	1.8
170.10869	1.9
181.02818	26.9
185.04480	3.9
185.05946	7.2
185.09549	8.0
185.11685	37.2
185.13235	5.3
185.16591	1.7
186.03401	2.4
186.05292	1.6
186.07600	7.5
186.11150	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	185.0324
Annotation	Unknow
Peak:m/z	Relative Intensity
71.47152	38.9
71.47471	37.7
78.88359	34.5
81.46549	33.1
102.40582	34.3
110.10092	34.2
119.01932	51.3
120.02012	100.0
127.08216	30.8
167.02156	57.6
174.93481	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	184.2057
Annotation	CHEBI:68995
Peak:m/z	Relative Intensity
50.11702	0.7
52.63851	0.7
55.05500	31.8
56.05820	1.1
56.96558	1.4
57.03424	1.2
57.07064	9.9
60.95822	1.0
65.69495	0.8
67.05469	2.0
69.03397	3.5
69.03733	0.9
69.07054	39.3
70.03751	4.6
70.06564	1.6
71.04977	1.4
71.08610	2.6
71.57338	1.5
71.95236	2.3
72.04489	1.3
79.05479	1.5
81.03403	1.1
81.07022	2.1
82.03691	0.9
83.04937	2.4
83.08127	1.6
83.08607	24.5
84.05304	2.1
84.08115	1.7
85.02855	0.8
85.10156	2.9
86.03216	1.0
86.09680	2.6
93.07027	1.6
97.06509	1.1
97.10153	10.0
98.98422	2.6
99.82379	0.8
101.95014	41.8
101.95693	2.0
102.96854	1.2
105.03351	1.1
106.03661	1.1
110.06018	1.5
111.11681	3.1
112.04745	1.2
119.96047	25.1
120.97861	1.9
121.10091	1.7
124.07574	1.1
124.99957	1.9
129.07002	1.8
137.95984	1.5
137.97075	32.4
138.05440	1.5
138.09105	2.3
138.98885	4.6
139.01773	3.4
142.97629	3.3
153.49371	1.0
153.64050	0.9
155.98141	16.0
160.98671	10.5
162.03368	2.7
166.08603	2.7
167.08122	1.3
170.10869	0.9
175.31664	0.8
178.99750	7.1
184.00342	2.3
184.07413	3.1
184.09656	5.1
184.17093	6.8
184.20570	100.0
185.13214	2.2
185.20935	2.8
202.01460	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0453
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99858	0.2
60.00638	0.1
60.64198	0.1
66.03437	0.1
70.82083	0.3
82.01440	0.2
82.99805	1.0
89.99902	0.1
100.02469	0.3
101.00862	17.8
101.95019	0.9
102.00970	0.5
118.03480	0.2
119.01904	100.0
119.96041	0.4
120.01987	3.5
120.90714	0.1
121.01590	0.2
121.02342	0.5
124.02424	1.8
133.03381	0.1
137.02934	35.2
137.97092	0.2
138.03004	1.4
139.03323	0.2
142.03476	24.5
143.01921	0.6
143.03613	2.0
144.03198	0.3
160.04535	8.4
161.02934	10.2
161.04591	1.1
162.03046	0.4
162.04324	0.2
165.05046	0.7
179.03983	18.3
180.04214	0.6
184.04510	0.8
202.05672	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0729
Annotation	O-Phosphocholine
Peak:m/z	Relative Intensity
50.43923	0.7
56.05035	0.8
57.60815	1.0
60.07878	0.8
60.08157	14.9
60.10825	0.7
63.23822	0.7
69.03410	3.0
69.60403	4.1
69.60830	2.5
70.03760	4.8
71.07358	6.9
83.04963	1.0
84.05293	2.2
86.09695	71.2
87.09988	1.1
91.60008	1.0
92.40140	0.7
98.98444	11.5
100.04784	0.9
101.95008	1.0
104.10712	3.1
105.17713	0.8
105.19833	1.1
106.89775	0.9
112.04762	1.5
124.99989	57.6
137.97017	0.8
161.11928	0.8
184.07315	100.0
185.07674	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.1165
Annotation	1,2-Dihydrostilbene
Peak:m/z	Relative Intensity
53.03915	0.8
54.98172	0.3
55.01855	1.3
55.05497	3.5
57.03425	2.4
57.07053	1.0
61.02918	2.2
61.78996	0.3
65.03923	0.4
67.05492	4.1
68.08835	0.4
69.03416	15.9
69.07042	0.9
69.91728	2.2
71.01340	0.9
71.04965	1.6
73.02888	1.0
78.34724	0.3
79.05483	1.9
81.03406	1.7
81.07036	2.1
83.04968	6.4
85.02892	4.7
87.04426	1.8
91.03943	0.5
91.05453	4.5
93.07056	0.7
95.04939	1.3
95.08582	1.4
98.98447	3.4
99.04408	2.3
101.95003	0.5
103.03908	1.2
105.03360	1.8
105.07018	4.1
111.04411	4.7
115.05418	2.3
115.14287	0.4
117.05451	0.5
117.07001	2.2
119.08537	0.5
123.04417	0.8
123.11678	0.6
127.01529	0.9
128.06195	2.5
129.05511	3.6
129.06976	6.1
137.69110	0.3
139.05382	0.4
141.06963	25.9
142.07765	6.7
143.08545	2.8
144.10921	0.4
147.06474	1.2
152.06171	0.5
153.06970	13.0
154.07744	10.7
155.08522	46.4
156.09021	1.3
165.07022	0.8
166.07623	1.0
167.08511	3.5
168.09311	23.6
169.04860	0.6
169.10109	4.4
181.10080	1.9
182.10521	0.9
183.08105	2.7
183.11652	100.0
184.07516	2.9
184.12346	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	183.1013
Annotation	2-Oxo-delta3-4,5,5-trimethylcyclopentenylacetate
Peak:m/z	Relative Intensity
53.03936	4.1
55.01616	1.3
55.01861	16.8
55.05500	11.1
57.03430	14.4
57.07062	1.4
57.43583	0.7
59.04980	1.4
61.02917	8.2
61.89218	0.8
65.03931	2.0
67.05493	49.2
69.03417	67.1
69.07058	5.9
69.53410	5.7
71.04635	1.1
71.04984	12.3
71.17992	0.7
73.02899	3.2
77.03925	0.7
79.05479	10.5
81.03403	6.1
81.07044	41.6
83.04967	20.0
83.08592	1.1
85.02887	13.6
85.06524	6.2
86.09695	1.4
87.04452	6.7
91.03937	3.3
91.05454	5.2
93.07012	7.6
95.04350	1.2
95.04953	23.3
95.08587	21.7
97.02881	0.9
97.06520	8.9
98.98445	14.5
99.04436	14.7
99.08076	4.5
101.05982	1.3
101.95023	2.0
103.03902	4.1
105.03381	10.5
105.04482	1.0
105.07009	3.3
107.04913	1.1
107.08572	4.9
109.02945	0.9
109.06506	5.1
109.10138	100.0
110.10466	2.2
111.04419	16.2
113.05992	5.5
116.99477	1.1
117.05476	0.9
117.21946	0.7
118.96740	1.7
119.01922	0.9
119.08555	6.5
119.96084	1.1
121.10106	5.5
123.04405	13.1
123.08060	5.2
123.11687	3.7
125.05972	30.6
125.09611	3.0
127.01551	4.3
127.07557	1.2
127.11217	0.9
129.05467	11.6
129.06990	0.9
133.02841	3.1
137.05980	2.0
137.09596	54.2
137.97083	1.6
139.07538	1.6
140.04674	3.4
142.03490	1.3
143.07013	5.9
147.06483	2.7
147.08028	1.0
147.11667	2.5
153.09131	1.6
155.04755	1.2
155.07025	3.8
155.08652	1.2
155.10628	6.2
165.05453	1.7
165.07664	1.2
165.09074	25.6
165.12778	2.4
166.04968	0.9
168.09314	1.3
181.96684	0.9
183.06494	2.2
183.08078	3.2
183.10138	14.2
183.11685	2.2
183.13727	1.7
183.19380	3.3
184.07375	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.065
Annotation	(+-)-Methyenomycin A
Peak:m/z	Relative Intensity
53.03941	0.8
55.01853	1.0
55.04225	0.4
55.05499	1.8
57.03418	2.0
59.04993	0.4
61.02916	1.8
64.04084	0.3
65.03921	0.9
67.05473	0.3
69.03419	10.8
71.01730	0.6
71.02077	0.5
71.04971	1.1
77.03925	1.1
79.05476	0.4
81.03396	1.5
81.07050	0.5
83.04968	4.6
85.02886	3.1
87.04453	1.5
93.03384	0.6
93.07063	0.4
94.04161	1.5
95.04951	1.9
95.08572	0.4
98.18153	0.4
98.98445	1.3
99.04426	1.5
103.03926	1.0
105.03380	3.4
107.04942	1.5
109.02848	0.8
109.06504	0.4
109.10199	0.3
110.03645	8.6
111.04433	4.2
119.01910	0.5
119.04929	0.4
119.96082	0.3
122.03629	6.5
123.04422	1.1
125.05976	19.3
129.05472	2.0
129.21690	0.3
133.02834	100.0
134.03136	1.9
137.05957	42.2
138.89243	0.3
140.04686	0.4
143.06993	0.4
145.67345	0.3
147.06508	0.8
165.05452	20.6
166.05853	0.4
183.06505	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	183.0651
Annotation	(+-)-Methyenomycin A
Peak:m/z	Relative Intensity
51.02370	0.5
51.16296	0.3
52.64098	0.3
53.03928	1.3
54.94024	0.4
55.01863	2.6
55.05493	3.2
56.96540	1.0
57.03426	4.9
61.02919	4.6
61.54285	0.4
65.03926	1.8
67.05482	1.0
67.79436	0.3
69.03418	32.8
69.96312	1.3
69.96717	0.8
71.04986	2.3
73.02899	1.4
73.43171	0.3
75.04475	0.4
77.03892	1.5
79.05470	0.9
81.03405	2.6
81.07027	0.7
83.04965	11.0
85.02407	0.7
85.02886	8.1
86.09689	0.4
87.04460	3.5
91.03953	1.1
91.05466	1.1
93.03387	0.8
94.04195	2.0
95.04957	2.6
95.08585	0.7
98.97549	1.0
98.98460	1.8
99.04436	4.8
100.69195	0.4
100.89491	0.6
101.00847	0.7
101.95019	1.4
103.03910	2.2
105.03374	4.8
105.04506	0.4
107.04932	1.3
109.02863	1.0
109.06456	0.5
110.03650	9.1
111.04425	8.7
116.98589	0.4
118.03475	0.3
118.98198	0.5
119.01884	3.8
119.04931	1.2
119.96056	1.1
122.03615	5.6
123.04390	1.7
123.08066	0.6
125.05037	0.7
125.05975	18.3
129.05467	6.7
133.02831	100.0
134.03188	2.1
137.02956	1.2
137.05954	44.6
137.97115	0.5
138.06285	0.9
139.07541	0.4
140.04663	0.7
141.92107	0.6
142.03496	1.1
147.04433	2.7
147.06485	2.0
155.07013	0.8
160.04440	0.7
162.94519	0.4
165.05446	19.2
175.54611	0.4
183.06517	8.0
183.08020	0.5
183.10066	0.5
183.97546	0.5
184.07283	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	182.1537
Annotation	(+)-Myrioxazine B
Peak:m/z	Relative Intensity
53.03938	0.7
55.01855	1.5
55.05499	5.6
56.05017	0.5
56.73227	0.5
57.03423	3.0
57.07054	1.5
58.02952	20.7
61.02910	3.1
65.03936	0.4
67.05496	12.7
67.87183	0.4
69.03419	17.3
69.07057	47.1
69.77191	3.0
70.06574	1.5
70.07394	0.7
71.04974	1.4
72.08124	0.7
73.02901	1.1
74.06063	0.9
79.05483	3.7
81.03403	1.1
81.07042	12.3
83.04968	6.7
83.08600	4.8
84.08125	6.5
85.02885	5.5
85.06547	0.5
86.06087	0.5
87.04439	1.7
90.51774	0.4
91.03893	0.6
91.05457	2.5
93.07034	7.3
95.04938	1.8
95.08588	4.5
96.08110	0.6
97.06510	2.3
98.06022	1.4
98.09683	1.7
98.97579	0.8
98.98411	1.2
99.04433	1.6
100.07610	5.0
103.03928	1.6
105.07018	8.5
105.50863	0.5
107.08579	11.6
109.06495	1.2
109.10139	33.2
110.10434	0.6
111.04406	3.9
111.08032	0.6
112.07583	1.6
114.09155	11.2
116.98600	0.9
119.08549	1.1
121.10142	1.3
123.08006	0.6
123.11691	5.8
124.11214	0.5
126.09139	11.2
126.12740	1.2
128.10699	0.5
129.05449	3.7
133.10110	25.2
134.10437	0.8
134.99605	0.6
135.10670	0.6
135.11681	11.4
136.07568	0.7
136.12051	0.5
138.12759	14.4
139.13081	0.9
140.10660	1.3
140.14268	1.1
147.06525	1.2
147.11656	4.2
151.11168	8.3
152.11537	0.5
153.12714	10.9
154.15901	0.9
164.14325	1.7
165.12758	2.2
182.00816	0.5
182.15379	100.0
183.15723	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	181.1584
Annotation	(Z,Z,Z)-3,6,9-Dodecatrien-1-ol
Peak:m/z	Relative Intensity
53.03947	1.4
55.01856	2.2
55.05501	26.0
55.05774	1.2
55.26738	1.1
56.96550	4.3
57.03424	4.9
57.07066	10.1
63.40882	1.0
67.05492	16.4
69.03416	2.0
69.07055	8.5
69.68471	7.6
79.05049	1.8
79.05482	26.1
81.03407	1.3
81.07032	12.6
83.04967	100.0
83.08624	5.0
91.05464	5.8
91.62719	0.9
93.07029	23.7
95.04951	6.4
95.08588	8.6
96.28690	1.1
97.06509	16.7
97.10165	3.6
98.96918	2.0
98.97566	37.1
105.07018	1.9
107.04925	1.3
107.08572	9.7
109.10123	1.6
111.08070	2.0
115.26225	1.0
116.97217	3.3
116.98595	40.3
121.06477	1.2
121.10134	9.4
122.86978	0.9
125.05957	11.0
128.81720	1.1
134.99628	37.6
135.00647	2.5
135.11674	2.2
136.07549	1.3
139.98778	1.1
140.00175	6.2
145.10080	2.6
148.05188	1.3
153.00699	5.5
154.08617	1.2
158.01219	8.1
163.11153	13.5
163.14790	2.3
176.02286	2.4
181.04874	2.0
181.06322	1.1
181.08565	4.9
181.09940	1.2
181.12221	8.6
181.15823	11.9
182.00868	1.8
196.18494	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.122
Annotation	Limonenecarboxylic acid
Peak:m/z	Relative Intensity
53.03924	1.0
55.01852	1.2
55.05501	4.7
55.54370	0.5
56.96553	5.6
57.03410	1.1
57.07059	2.0
57.13564	0.5
65.03900	0.7
67.00636	0.6
67.05495	3.8
69.03413	8.4
69.07063	3.2
69.25865	6.4
69.32241	0.5
71.04978	2.4
71.95228	0.9
79.05478	27.0
81.03411	1.3
81.07041	8.6
82.31046	0.7
83.04965	4.8
83.08603	6.4
85.06499	1.4
91.05455	8.7
93.07028	22.0
95.04929	3.7
95.08582	2.9
97.06515	4.1
98.20686	1.0
98.97566	39.8
99.04449	3.2
105.07013	10.1
107.04915	1.8
107.08575	100.0
108.08201	0.9
108.08926	2.6
108.18887	0.6
109.06462	2.7
109.10122	1.6
111.04465	0.6
111.08071	1.8
116.97227	2.5
116.98599	46.7
117.07013	1.8
119.08558	3.6
120.79897	0.7
121.02798	0.8
121.06477	2.2
121.10126	24.3
122.10439	0.8
123.08070	2.4
125.05963	4.1
134.99635	38.6
135.04362	1.3
135.08012	3.1
135.11659	16.8
135.12689	1.1
136.07471	3.0
137.05943	0.8
137.09604	0.9
139.07515	0.8
139.98747	0.8
140.00154	3.2
145.10089	4.7
149.05984	0.8
153.00690	7.5
153.12753	1.7
154.08562	0.6
158.01254	5.8
163.03896	2.5
163.07521	1.3
163.11153	19.9
164.07034	3.5
181.04916	1.8
181.08548	2.7
181.12183	9.5
181.15863	0.7
182.08060	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1219
Annotation	Limonenecarboxylic acid
Peak:m/z	Relative Intensity
53.03929	2.5
55.01847	3.5
55.05496	6.1
56.96554	6.0
57.03420	2.3
57.07063	28.6
59.01145	1.1
59.04973	3.6
60.32655	1.1
67.05473	4.6
69.03400	5.0
69.07049	7.0
69.93952	1.0
71.04977	1.8
71.62109	1.6
71.95248	1.4
79.05476	17.7
81.03415	6.0
81.07040	10.0
83.04965	59.3
83.08585	2.4
84.05307	1.3
85.06498	1.3
91.05453	8.9
93.07022	22.7
93.45431	1.2
95.04949	23.4
95.08575	3.6
96.03495	1.1
97.06512	34.2
98.97565	47.6
105.04524	1.5
105.07043	6.2
107.04946	6.7
107.08579	25.4
108.08085	2.3
109.06502	2.2
109.10145	1.6
110.20226	1.2
111.04440	1.6
116.97204	3.3
116.98598	54.1
117.06992	2.4
119.08535	5.1
121.06473	6.0
121.10119	28.4
123.08025	7.2
125.05969	99.0
126.06290	1.8
130.07706	2.0
133.10124	1.6
134.99629	47.4
135.04362	1.8
135.08040	5.9
135.11668	14.1
136.07556	46.2
137.05923	1.5
137.09587	1.2
140.00133	3.3
140.07001	2.1
145.10101	12.8
149.02281	2.3
149.05962	1.2
151.11197	1.6
153.00667	10.9
154.08594	1.5
154.93393	1.2
158.01227	6.8
163.03856	5.3
163.11147	100.0
164.07021	30.0
164.11504	3.3
181.08717	6.2
181.09999	1.9
181.10414	1.4
181.12190	46.0
181.15652	1.6
182.08046	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.122
Annotation	Nortricycloekasantalic acid
Peak:m/z	Relative Intensity
55.01877	0.5
55.05491	0.9
56.96557	0.8
57.07055	1.1
58.59594	0.4
59.04983	1.8
67.05479	1.1
69.03403	1.1
69.07056	2.9
69.96310	2.6
79.05482	3.0
81.07035	4.0
83.04948	0.7
83.08589	0.6
91.05462	1.4
93.07029	11.6
94.39723	0.4
95.04948	0.6
95.08034	0.8
95.08595	10.2
97.06487	1.6
98.20802	0.6
98.97572	11.0
104.69483	0.4
105.07014	1.8
107.04936	0.6
107.08577	20.8
108.86563	0.4
109.06534	0.4
109.10139	1.3
111.04423	1.5
111.08048	0.8
116.98602	9.1
117.06973	0.5
119.08585	2.1
121.06513	2.7
121.10123	12.5
123.08034	3.0
125.05958	2.7
130.07758	0.5
131.17036	0.4
134.99655	5.2
135.08035	0.6
135.11673	27.7
137.13261	0.8
139.07510	5.7
140.00186	0.8
145.10100	8.1
149.03395	0.5
153.00700	0.6
153.12697	1.5
158.01254	0.8
163.11162	21.2
164.11470	0.5
181.12206	100.0
182.12544	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	181.122
Annotation	Limonenecarboxylic acid
Peak:m/z	Relative Intensity
53.03922	1.3
55.01858	3.2
55.05304	0.5
55.05506	4.6
56.96555	3.6
57.03422	1.2
57.07062	1.6
59.04990	0.6
65.66862	0.4
67.05498	4.8
68.99744	1.1
69.03415	11.4
69.07051	4.8
70.07297	2.5
71.04976	3.1
71.95226	0.6
77.03899	0.7
79.05477	28.6
81.03390	0.9
81.07037	12.6
83.04959	3.7
83.08613	3.7
84.08097	0.7
85.06516	1.9
86.00413	0.4
89.03883	1.1
91.05462	11.7
91.06003	0.9
93.07026	37.8
94.07340	0.9
95.04939	5.0
95.08594	4.8
97.02860	3.6
97.06518	5.1
98.96906	1.1
98.97562	23.1
99.04430	3.6
103.05431	0.9
105.07012	11.8
107.04934	2.9
107.08572	100.0
108.08923	1.7
109.06505	4.5
109.10138	2.1
111.04412	1.1
111.08048	2.7
113.05970	0.6
115.05433	0.6
116.98595	28.8
117.03333	0.6
117.06992	1.6
119.06078	0.7
119.08548	5.3
121.02843	0.7
121.06480	5.0
121.10120	42.7
122.07262	0.5
122.10429	1.1
123.04442	1.2
123.08024	5.2
123.11654	0.6
125.02308	1.1
125.05972	4.9
125.09607	1.7
130.07790	0.9
133.10114	1.2
134.99631	28.8
135.04356	2.4
135.08041	5.2
135.11664	24.4
136.07558	5.7
136.08514	0.6
137.05928	1.4
137.09584	1.7
139.03821	0.6
139.07515	6.4
139.11151	1.3
140.00172	1.1
140.95108	0.6
143.03378	0.7
145.02785	1.0
145.10077	5.8
149.05980	1.3
151.11118	1.2
153.00668	6.5
153.05432	0.7
153.09116	1.2
153.12662	1.4
158.01215	4.6
162.78799	0.5
163.03880	7.9
163.07491	1.2
163.11145	22.5
164.07018	3.6
176.02412	1.2
181.03760	1.2
181.04985	1.6
181.06268	0.7
181.08627	6.9
181.09973	1.0
181.12170	12.0
181.15813	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.122
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01847	1.0
55.05485	3.1
56.96535	1.8
57.07069	30.1
59.04973	3.7
67.05484	1.5
69.03410	1.5
69.07039	4.6
70.11488	6.1
72.73512	0.9
79.05488	8.5
81.03389	7.2
81.07037	4.6
83.04970	61.1
91.05444	3.3
93.07021	8.0
95.04951	17.9
97.06516	30.0
98.97569	17.1
105.06992	4.5
107.04892	2.8
107.08572	6.2
113.96349	1.7
116.97214	2.8
116.98600	17.4
117.06976	1.6
119.08558	2.3
121.06467	2.5
121.10112	9.6
123.08016	1.1
125.05975	96.3
126.06305	1.3
134.99629	17.3
135.07999	1.2
135.11674	6.9
140.00111	2.2
145.10106	9.6
153.00659	2.9
158.01187	5.6
163.11156	100.0
164.11536	3.3
181.08594	3.2
181.12195	42.0
182.09613	1.9
182.12560	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.122
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.9
55.01858	1.8
55.05505	2.5
56.96563	2.0
57.03415	0.8
57.07066	32.0
59.04990	3.4
67.05485	2.0
68.73254	0.7
69.03420	3.6
69.07048	4.1
70.15408	4.0
70.40099	0.7
73.81228	0.8
79.05477	8.8
81.03413	6.9
81.07043	5.9
81.57951	0.7
83.04967	60.0
84.05277	0.8
85.06529	1.2
91.05475	3.1
93.07020	6.7
95.04954	19.8
97.06512	34.7
98.97565	11.1
99.04469	0.9
102.67929	0.8
105.07013	3.9
107.04937	3.1
107.08582	8.5
111.04449	0.9
112.11398	0.7
116.97195	3.5
116.98604	16.4
117.06995	1.7
119.08562	2.9
121.06453	3.0
121.10120	12.5
123.08027	2.1
125.05971	93.6
126.06332	1.3
130.07761	1.3
131.97420	0.9
134.99623	21.3
135.04227	0.8
135.07962	0.7
135.11642	5.0
139.98752	1.3
140.00179	2.7
145.10098	11.2
151.25117	0.8
153.00670	3.1
158.01193	5.6
158.58513	0.8
163.11151	100.0
164.11493	2.4
176.02245	1.6
181.02753	1.5
181.06236	1.0
181.08508	2.4
181.12201	41.7
182.00876	1.2
182.12564	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1218
Annotation	Nortricycloekasantalic acid
Peak:m/z	Relative Intensity
55.01855	2.0
55.05488	3.1
56.96552	1.5
57.07062	32.7
59.04977	3.3
67.05466	1.3
69.03399	1.5
69.07037	4.3
69.67740	9.1
79.05476	8.8
81.03391	7.2
81.07056	5.7
83.04962	61.4
84.05246	1.4
91.05466	2.3
93.07014	8.3
95.04954	22.7
97.06509	33.1
98.97559	14.7
105.06996	5.0
107.04922	3.3
107.08577	8.3
109.06494	1.2
116.97243	6.7
116.98567	17.6
117.06973	1.5
119.08546	3.6
121.06494	2.7
121.10125	11.3
125.05965	100.0
126.06310	3.5
130.07736	1.8
134.99643	13.5
135.11667	4.6
136.07556	1.5
139.98756	2.4
140.00153	2.5
145.10089	10.5
153.00682	3.0
158.01190	4.1
163.11145	99.8
164.11461	5.0
181.06340	1.7
181.08580	2.1
181.12195	44.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	180.1017
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.4
55.01863	1.0
55.05507	0.4
56.02187	0.4
56.96551	2.3
57.03402	0.5
57.07070	0.2
63.02369	0.2
65.06223	0.2
67.05488	0.6
69.03414	1.3
69.07049	0.4
69.80921	0.8
69.81333	0.3
70.06566	0.5
71.04957	0.2
71.95242	0.2
72.08136	0.4
79.05478	1.3
80.05011	0.4
81.03396	0.6
81.07026	0.6
83.04966	0.3
83.08571	0.2
84.08135	1.0
85.02885	2.6
85.08422	0.2
86.06053	0.2
86.09686	0.5
89.03891	1.3
91.05449	1.5
92.05792	0.3
93.07021	2.7
94.06559	0.4
95.04950	0.8
95.08578	0.2
96.04511	0.2
97.02855	1.4
97.06490	0.2
97.99153	0.3
98.20653	0.2
98.97558	7.1
99.04466	0.2
101.02372	0.2
103.05447	6.1
105.03375	0.5
105.07014	0.4
106.03707	0.4
106.06541	0.7
106.07304	0.4
107.04941	1.3
107.08569	0.8
108.04463	1.5
108.08116	0.3
109.02825	0.4
110.06049	0.3
111.04404	0.6
112.07605	0.4
116.97233	0.5
116.98596	10.1
117.03341	1.8
118.06542	0.2
119.04934	0.3
120.08079	100.0
121.02859	0.2
121.06477	5.6
121.08408	2.4
121.10126	0.5
122.05997	1.5
123.07988	0.2
124.03932	0.2
124.04735	0.4
125.05965	0.3
127.03884	1.3
129.10159	0.2
130.08498	0.2
131.04893	1.2
133.02818	0.2
134.03079	0.9
134.06000	1.1
134.09584	0.3
134.10477	0.3
134.99632	14.9
135.04385	4.3
135.08041	1.4
135.11693	0.3
136.04756	0.3
136.07555	1.2
137.05957	0.6
138.09079	0.3
139.03874	0.7
140.00182	0.6
141.03848	0.2
145.02806	2.4
145.04932	0.5
148.04631	0.9
149.05956	0.4
151.07442	0.2
152.07030	1.4
152.08063	0.2
153.00682	3.4
153.10179	0.3
158.01221	2.0
162.05392	1.5
162.09041	1.1
163.03870	14.9
163.07460	1.5
163.11137	0.3
164.07036	0.7
165.09088	0.2
168.06252	0.6
176.02315	0.5
180.03712	4.4
180.06363	2.2
180.07962	0.2
180.10086	4.5
180.13826	0.7
180.17474	0.2
181.04942	0.6
181.08517	0.7
181.09859	0.3
181.12271	0.6
191.07515	0.3
192.09953	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1428
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
51.02377	0.9
53.03928	2.5
55.01867	30.5
55.05501	14.3
56.96563	7.2
57.03427	11.0
57.07056	1.9
59.04977	2.8
65.03931	1.7
67.05496	23.9
69.03416	7.1
69.07058	10.4
69.56934	1.0
70.06535	1.1
70.88657	2.8
71.04982	4.9
77.03904	1.9
79.05486	23.6
79.05943	1.4
81.03390	2.2
81.07047	59.2
83.04976	7.1
83.08602	3.8
85.02873	2.8
85.06535	4.5
90.85294	0.9
91.05470	34.1
92.05766	1.1
93.06456	2.0
93.07034	39.1
95.04955	8.4
95.08595	49.7
97.02840	1.3
97.06513	12.5
97.99105	1.2
98.98436	1.9
99.04506	1.1
99.08062	2.8
103.05444	3.9
105.03357	2.8
105.07017	44.2
107.04946	2.1
107.08587	34.5
109.06501	30.0
109.10143	10.9
111.08077	2.9
116.00216	1.8
117.03357	1.4
117.07008	2.8
118.10179	1.0
119.04932	39.9
119.08571	45.9
120.08103	2.0
121.06521	5.8
121.10128	40.9
122.10480	1.3
123.04440	8.7
123.08053	21.6
123.11700	4.7
125.09613	11.8
131.08510	2.6
133.02837	14.3
133.06473	7.8
133.10114	47.7
134.03104	1.2
135.04427	3.4
135.08037	1.4
135.11673	29.7
136.02126	1.9
136.05162	1.3
137.05937	4.1
137.09590	10.1
137.13234	5.5
139.01585	1.1
143.08521	1.7
146.03590	1.8
147.04395	43.7
151.03900	2.2
151.07542	3.0
151.11136	4.9
152.07036	1.6
161.02312	2.1
161.05991	12.0
161.09628	8.1
161.13239	78.4
162.13582	1.8
163.07565	1.1
164.04063	2.4
179.03383	55.3
179.06871	17.1
179.08650	1.5
179.10692	18.3
179.14285	100.0
180.03735	1.8
180.06502	2.4
180.07953	1.4
180.14642	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	179.1427
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
52.32586	0.9
53.03924	3.1
55.01862	12.8
55.05259	1.1
55.05502	20.0
56.96557	6.0
57.03408	3.9
57.07050	1.6
65.03916	3.6
67.05492	80.6
69.03416	2.6
69.06705	1.3
69.07054	14.7
69.46424	7.3
71.04974	3.9
79.05478	44.0
80.05762	1.0
81.03395	2.2
81.07039	100.0
82.07366	2.8
83.04964	17.7
83.08601	27.1
84.54580	0.8
85.06516	4.4
88.02206	0.9
88.11379	0.8
91.05462	46.3
92.05762	1.2
93.07024	43.3
93.07617	2.1
95.04960	7.2
95.08589	79.1
96.08905	1.1
96.87612	0.8
97.06507	16.8
97.10156	3.4
97.99126	1.1
98.20788	1.8
99.08072	6.2
101.24564	0.9
105.03360	1.4
105.04526	1.0
105.07006	36.9
106.06565	1.1
106.07323	1.0
107.08581	9.6
108.04512	1.1
109.06512	5.1
109.10133	11.8
111.08063	4.6
113.09631	13.6
117.06976	2.3
119.04919	15.1
119.08554	39.1
121.10126	7.0
123.04398	3.1
123.08062	4.5
123.11693	1.7
131.08517	1.6
133.02841	4.8
133.06442	2.7
133.10097	26.4
134.05997	1.0
135.04353	1.4
135.11650	6.8
137.05933	1.1
137.09596	2.8
147.04393	13.9
151.03824	1.5
151.07486	1.8
151.11148	1.8
161.05901	4.4
161.09558	1.7
161.13228	40.6
162.09096	1.5
163.03758	1.3
164.03981	1.1
179.03369	19.3
179.06633	6.7
179.08397	1.9
179.10666	3.7
179.14276	48.6
180.06564	2.1
180.08026	1.4
180.10158	1.5
180.14607	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1427
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
53.03921	4.1
55.01863	26.0
55.05261	1.8
55.05502	25.8
56.96547	2.2
57.03400	4.2
57.07060	1.6
65.03910	3.8
67.05493	100.0
68.86774	1.0
69.03410	2.1
69.06712	1.3
69.07054	18.0
71.04974	2.9
71.63519	1.3
71.94070	3.9
72.93387	2.2
72.93774	30.2
74.93793	1.5
75.54385	0.9
77.03883	1.1
78.88483	1.0
79.05479	74.3
81.03408	19.6
81.07042	92.9
82.07359	1.9
83.04967	34.0
83.08604	15.8
85.06503	3.5
90.94798	8.3
91.05466	60.2
92.05802	1.8
93.07027	43.5
95.04960	13.8
95.08588	75.8
96.08923	1.6
97.06509	34.2
97.10134	3.1
98.98464	1.2
99.08056	2.0
103.05447	2.3
105.03377	1.0
105.07008	31.6
105.70585	1.1
107.08575	12.5
108.95800	1.1
109.06473	7.6
109.10132	17.8
111.08062	9.8
112.96677	5.2
113.09620	9.6
113.96385	46.2
114.96447	1.7
115.05425	15.5
115.96387	4.1
117.06989	14.8
119.04922	23.0
119.08559	34.6
121.10133	8.7
123.04402	2.2
123.08050	5.1
123.11639	1.6
130.97693	3.7
131.97412	42.3
133.02805	2.5
133.06448	2.5
133.10101	26.0
133.97482	3.1
134.05942	1.1
135.11658	9.5
135.12578	1.4
137.09583	2.8
145.06461	8.1
146.57127	1.0
147.00935	1.4
147.04379	18.2
154.99010	11.0
159.11752	2.0
161.05962	6.3
161.13232	28.0
162.09149	1.4
162.13614	1.1
163.07483	2.2
164.04245	1.1
165.01880	1.2
167.52220	10.9
168.02362	1.5
173.05988	7.4
175.07492	16.0
176.07831	1.8
179.03294	14.3
179.06477	12.2
179.10672	3.4
179.14276	83.2
179.53186	2.5
180.06523	1.6
180.10219	1.3
180.14563	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	179.1427
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
53.03931	2.6
55.01859	14.9
55.05501	7.9
56.96550	7.1
57.03436	7.7
57.07058	2.1
58.44331	1.3
59.04993	1.2
65.03915	1.7
67.05495	35.2
69.03419	2.0
69.07066	6.6
69.85657	8.1
71.04963	4.0
79.05475	20.0
81.07042	79.7
82.07421	1.2
83.04987	7.2
83.08611	5.8
84.08110	2.2
85.06536	6.9
91.05466	28.0
93.06463	2.3
93.07023	38.8
93.07607	1.9
94.04243	1.2
95.04934	4.9
95.08587	65.6
96.89664	1.3
97.06504	11.2
97.10172	1.3
97.99160	2.2
99.08068	4.9
105.07014	35.7
107.08571	15.5
109.06489	4.8
109.10142	5.8
111.08073	2.9
115.94358	1.2
117.06992	1.6
119.04922	19.1
119.08559	46.5
121.06504	2.1
121.10129	16.1
123.04405	3.3
123.08015	9.2
133.02832	5.5
133.06419	3.5
133.10115	33.1
135.11667	27.3
136.07515	1.2
137.09538	3.9
137.13197	2.1
143.08543	1.3
147.03355	1.6
147.04391	17.4
148.04657	1.5
151.07533	2.1
151.11121	2.6
152.07057	1.7
161.05916	5.5
161.13229	83.2
162.09036	2.0
162.13522	3.6
179.03358	27.7
179.06561	9.7
179.10728	8.2
179.14276	100.0
180.10185	2.1
180.14604	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	179.0336
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52285	0.2
51.02368	0.4
53.03932	0.4
60.93153	0.2
69.76736	0.5
69.77147	1.2
74.55512	0.2
75.32152	0.2
77.03915	1.2
79.05466	0.3
89.03902	3.1
95.04951	0.9
105.03366	3.7
107.04934	1.0
114.00310	0.2
117.03365	2.1
118.11230	0.2
120.02054	0.3
123.04414	8.8
133.02834	23.9
135.04401	6.0
145.03935	0.4
151.03859	0.6
158.88576	0.3
161.02333	1.9
179.03369	100.0
180.03683	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0398
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	2.0
56.96572	2.5
69.03379	0.4
69.50819	1.6
69.51256	2.1
78.52953	0.7
82.01413	0.6
82.99838	0.9
88.44432	0.5
98.97588	0.5
100.02473	3.0
100.97160	0.6
101.00862	15.6
110.01300	0.5
115.01199	2.5
115.02395	1.3
116.98595	1.2
118.03511	1.3
119.01904	100.0
119.04892	1.4
120.02003	4.4
121.02347	0.6
128.50536	0.4
132.49782	0.6
133.01511	1.0
133.03445	10.3
134.02936	0.6
137.02936	36.7
138.02963	1.5
138.03996	0.7
141.50259	1.6
142.03516	2.5
143.01787	1.1
147.04385	1.4
151.02647	0.8
151.04523	4.5
154.59062	0.5
156.03252	1.6
156.05043	7.8
157.03456	1.0
161.02940	25.2
162.03055	1.4
173.02808	0.5
174.02954	0.5
174.06123	2.7
179.03990	46.1
180.04163	2.2
184.04517	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0336
Annotation	Esculetin
Peak:m/z	Relative Intensity
51.02379	0.4
51.86807	0.2
53.03933	0.6
55.01864	0.6
63.02384	0.2
67.05510	0.4
69.86691	0.2
71.07008	0.2
71.07348	0.4
77.03911	2.0
79.05482	0.7
85.54851	0.2
86.35378	0.2
89.03901	3.4
91.05448	0.4
95.04967	1.4
104.30285	0.2
105.03371	5.2
105.04473	0.3
105.07017	0.7
107.04942	1.3
109.02814	0.2
117.03351	2.0
119.04933	0.6
119.08531	0.3
120.02058	0.2
123.03683	0.2
123.04407	10.9
133.02831	31.2
133.10097	0.4
134.03198	0.5
135.04390	6.6
137.06015	0.2
145.03917	0.5
147.04381	0.5
151.03902	1.1
161.02319	1.8
179.03363	100.0
180.03662	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0336
Annotation	Esculetin
Peak:m/z	Relative Intensity
51.02369	0.5
52.91870	0.2
53.03927	0.5
54.03741	0.3
70.77103	0.8
70.77459	0.3
73.42827	0.2
77.03907	1.7
79.05473	0.5
84.43385	0.2
89.03909	3.2
95.04964	1.4
99.78263	0.3
105.03371	5.3
107.04944	1.5
117.03365	2.2
120.02061	0.3
123.04410	10.6
133.02834	30.0
134.03181	0.6
135.04396	6.3
140.75581	0.2
145.03906	0.4
151.03870	0.8
161.02325	1.8
179.03368	100.0
180.03719	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0335
Annotation	Esculetin
Peak:m/z	Relative Intensity
51.02172	0.2
51.02375	0.4
53.03939	1.1
54.23246	0.2
55.01859	1.6
55.05477	0.2
57.03427	4.4
63.02361	0.2
65.03934	0.2
67.05503	0.9
70.93201	0.4
70.93549	0.2
77.03908	1.9
79.05479	5.4
80.05818	0.2
81.03404	0.3
81.07046	1.1
89.03388	0.3
89.03905	4.0
91.05470	1.5
93.07021	0.7
95.04958	3.1
95.08595	0.6
103.05407	0.2
105.03373	33.4
105.07005	2.4
106.03712	0.3
107.04913	1.5
107.08578	0.3
109.02815	0.3
109.06472	0.4
109.10130	0.4
117.03368	2.3
119.04905	2.0
119.08553	1.4
120.02066	0.4
121.06499	0.4
121.10125	0.6
123.04408	16.7
123.08038	0.8
125.58636	0.2
133.02831	30.1
133.06395	0.9
133.10109	2.0
134.03174	0.7
135.04391	6.9
137.09599	0.4
144.77733	0.2
145.03993	0.4
145.83693	0.2
147.04395	2.1
151.03883	1.4
151.07500	0.3
151.11127	0.4
161.02313	1.9
161.05946	1.3
161.09610	1.8
161.13242	0.7
179.03365	100.0
179.10529	2.6
179.14214	1.1
180.03674	1.9
184.86946	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0335
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31147	0.2
51.02370	0.4
53.03937	0.5
54.81122	0.2
55.01862	3.0
55.05491	0.3
57.03434	0.2
57.07065	0.3
59.04975	0.2
60.60476	0.2
67.05484	0.8
68.00615	0.2
69.03416	0.4
69.07053	0.4
71.09239	0.4
77.03910	1.8
78.93793	0.2
79.05496	1.2
81.07044	1.5
81.85261	0.2
83.04955	0.5
86.02767	0.2
89.03896	3.3
91.05466	3.5
93.07021	0.5
95.04955	1.9
95.08578	1.5
103.05472	0.2
105.03372	6.2
105.07020	2.4
107.04937	1.6
107.08569	0.5
109.06471	1.0
109.10141	0.7
117.03358	2.5
118.04166	0.3
119.04918	5.3
119.08549	0.9
120.02066	0.4
121.06459	0.4
121.10133	0.5
123.04405	10.9
123.08050	0.8
133.02829	27.9
133.06444	1.6
133.10104	1.6
134.03151	0.4
135.04390	6.3
135.11635	0.5
136.05217	0.4
137.05949	4.5
137.09531	0.5
139.77635	0.2
145.03999	0.4
146.03586	0.6
147.03293	0.3
147.04381	7.1
151.03900	1.4
151.06451	0.4
151.07622	0.3
151.13602	0.2
151.14763	0.6
161.02304	1.7
161.03386	0.2
161.05946	3.1
161.09599	0.8
161.13248	0.6
179.03362	100.0
179.06779	4.2
179.10448	1.2
179.14159	1.7
180.03671	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	178.1223
Annotation	Valerianine
Peak:m/z	Relative Intensity
53.03931	0.3
55.01862	2.8
56.96552	0.8
57.07074	0.3
58.06584	0.2
59.93100	0.2
61.02906	0.2
65.03934	0.4
67.05490	0.6
69.03413	0.5
70.06583	0.5
71.18359	0.7
73.02907	0.3
77.03905	0.3
77.88058	0.2
77.94096	0.3
79.05474	1.1
80.05001	0.3
81.03423	0.3
81.07034	0.6
83.04970	0.3
84.08123	1.0
85.02872	0.3
88.02202	2.0
89.03889	0.5
91.05472	1.7
92.04957	0.3
93.05781	0.2
93.07037	0.5
94.06564	0.3
95.04956	1.2
95.08618	0.3
98.97571	0.9
98.98454	0.3
104.04981	0.3
105.07004	1.0
106.06519	0.2
107.04944	0.4
107.08575	0.9
108.08910	0.3
109.02889	0.4
110.07132	0.3
111.51646	0.2
115.05444	0.3
116.98601	0.7
117.07005	1.1
118.03712	0.6
118.06523	5.3
118.07332	0.4
118.96748	3.5
119.01914	0.2
119.04928	2.9
119.07310	6.6
119.08582	0.3
121.06535	0.2
121.10166	0.3
122.10480	0.4
123.04394	1.6
132.04425	0.3
132.08066	0.8
133.02808	2.2
133.06500	0.5
133.10121	0.6
133.99080	0.9
134.09631	44.9
134.99640	0.3
135.04393	0.5
135.09975	0.9
136.03841	0.3
136.07552	0.9
137.05962	0.5
146.03236	0.8
147.04391	3.4
150.02647	0.4
150.05374	0.3
150.95720	0.3
151.03856	0.6
151.07448	0.3
151.11096	0.3
152.96111	0.3
154.96471	1.5
160.03944	0.5
160.07458	0.3
160.11205	0.8
161.02312	0.4
161.04659	0.4
161.05963	0.9
161.09581	0.3
162.09158	1.7
163.09848	0.7
172.95181	0.5
177.00670	0.4
177.98036	1.9
178.04930	3.8
178.12241	100.0
179.03371	8.7
179.06877	1.4
179.10652	0.6
179.12582	3.3
190.96092	0.3
198.72729	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1635
Annotation	(3E,5Z,7Z,9E)-Trideca-3,5,7,9-tetraene
Peak:m/z	Relative Intensity
53.03922	1.2
55.05500	11.6
57.03401	0.8
57.07050	2.4
59.04987	0.7
63.02359	0.8
65.03948	0.9
66.02484	0.7
67.05218	0.7
67.05493	7.1
69.07056	32.0
71.08615	1.6
71.35171	1.6
78.04685	0.7
79.05054	1.3
79.05481	19.0
81.06567	1.4
81.07042	27.7
83.04934	1.0
83.08606	15.5
88.02184	3.4
89.03892	5.1
91.05456	9.8
93.07030	42.5
94.07338	0.9
94.89979	1.2
95.04939	2.8
95.08589	52.4
96.08932	1.2
97.10145	3.9
98.98452	10.9
103.05468	3.6
105.07004	6.6
106.04130	1.1
107.04926	1.6
107.08576	67.7
108.08932	1.4
109.06506	1.3
109.10134	20.0
117.03362	9.6
117.06967	4.1
119.08564	2.5
121.02811	0.9
121.06462	3.5
121.10121	74.2
121.47668	0.8
122.10471	1.5
123.08092	1.0
131.04869	1.2
131.08517	4.2
133.10098	2.8
134.03622	1.8
135.04425	1.3
135.08020	1.6
135.11670	22.0
136.06163	0.9
136.11894	1.0
145.02820	12.5
149.02299	8.7
149.05946	7.1
149.09613	1.9
149.13223	11.9
153.93666	2.4
159.08023	2.6
159.11650	2.3
160.07497	0.7
162.03026	0.8
171.94844	1.4
177.05389	12.3
177.06592	0.9
177.09004	6.8
177.12796	9.8
177.16350	100.0
177.95952	0.7
178.04915	1.4
178.08563	1.8
178.16711	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	177.1271
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02340	1.0
53.03922	4.3
55.01846	4.3
55.05500	26.1
56.96537	3.3
57.03425	7.6
57.07066	6.2
59.04948	1.4
65.03915	4.3
67.05489	22.2
69.03416	8.2
69.07053	39.9
71.04982	13.7
71.08613	1.3
71.25035	1.8
72.08126	2.7
78.04692	1.5
79.05476	61.4
81.03359	1.4
81.07041	53.9
83.04962	4.3
83.08603	13.0
84.08120	5.1
85.06520	1.5
88.02182	6.4
89.03899	13.0
91.05463	51.3
93.03479	1.1
93.07024	100.0
94.07346	2.2
95.01302	1.3
95.04939	14.3
95.08591	26.8
97.06506	2.9
98.84496	1.4
98.87193	1.1
98.98447	16.9
103.05437	4.4
105.04523	1.8
105.07005	32.7
106.04134	1.9
107.04927	9.3
107.08575	72.4
109.06485	14.5
109.10143	5.1
115.05442	6.3
116.06203	2.1
117.02595	1.8
117.03364	18.8
117.06990	30.7
118.07363	1.4
119.05986	1.4
119.08549	23.1
121.02846	2.5
121.06490	19.8
121.09296	2.3
121.10117	28.8
122.07307	2.3
123.08041	4.0
129.06993	7.2
130.07724	4.9
131.04900	1.9
131.08548	41.9
131.97459	1.7
133.06477	2.9
133.10100	11.9
134.03627	2.5
135.04372	1.9
135.08032	14.3
135.11673	12.3
136.06105	2.1
144.09314	9.2
145.02815	31.1
145.09618	1.3
148.08800	1.5
149.02284	12.8
149.05957	10.9
149.09576	4.8
149.13235	18.1
153.93686	5.3
155.52119	3.4
157.10110	2.8
159.04381	1.4
159.08070	3.3
159.11667	29.8
160.11931	1.4
162.03149	2.0
177.05415	23.0
177.06812	2.1
177.08980	7.0
177.12718	44.6
177.16296	10.8
178.04916	2.1
178.08499	2.2
178.13200	1.4
186.05469	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.127
Annotation	11,12,13-Trinor-6,9-eremophiladien-8-one
Peak:m/z	Relative Intensity
53.03928	1.9
55.01863	4.2
55.05487	3.1
56.96555	7.4
57.03423	2.1
60.12454	0.8
65.03916	1.2
67.05170	1.2
67.05495	17.8
69.03388	1.2
69.07047	5.3
70.08965	3.4
77.03895	0.8
79.05481	24.0
80.05827	0.8
81.03401	4.0
81.06569	1.5
81.07043	25.4
83.04967	4.0
83.08575	2.0
89.03868	0.9
91.05466	27.9
93.07029	41.4
95.04952	7.4
95.08582	8.4
97.06528	6.9
98.98429	3.5
99.08067	1.1
103.05459	1.2
105.07020	15.3
107.04922	2.1
107.08569	16.8
109.06483	4.5
111.08035	3.2
113.96407	1.8
115.05423	1.3
116.06234	1.5
117.03350	1.5
117.06200	1.5
117.06997	20.6
119.08555	3.8
121.06500	2.0
121.10115	10.4
129.06990	2.5
131.08551	21.8
131.48463	0.8
131.97359	1.3
133.10114	30.4
135.08049	6.8
135.11656	10.5
144.05624	1.1
144.09314	1.5
145.02818	2.8
146.51581	1.5
147.11623	1.0
149.02293	1.9
149.05945	1.2
149.09599	3.5
149.13235	16.1
155.52147	7.4
159.11671	42.0
160.12003	2.1
167.02940	1.9
172.51950	0.9
177.05365	1.9
177.12717	100.0
177.16202	2.3
178.13051	4.2
187.07489	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.127
Annotation	11,12,13-Trinor-6,9-eremophiladien-8-one
Peak:m/z	Relative Intensity
53.03925	1.0
55.01855	3.6
55.05502	3.6
55.42471	0.7
57.03415	1.5
57.07052	0.9
58.47148	0.6
59.04969	0.8
61.84322	0.8
65.03928	1.1
67.05492	17.9
69.03422	1.2
69.07050	5.7
69.49883	0.8
69.95010	3.9
70.06578	0.9
79.05477	24.1
80.22437	0.7
81.03416	3.7
81.03809	0.7
81.07040	30.2
83.04953	3.0
83.08611	4.6
84.08127	1.8
88.02199	1.7
89.03915	3.8
91.04882	0.9
91.05464	28.0
93.07029	42.5
94.07371	0.8
95.04951	7.9
95.08592	6.8
97.06516	5.9
98.21392	1.0
98.98461	5.0
99.08065	1.1
103.05462	1.4
105.07012	16.1
107.04946	3.9
107.08573	14.5
109.06532	3.8
109.10110	1.4
111.08045	2.2
117.03349	7.8
117.06995	19.8
119.08550	4.8
121.06472	3.9
121.10114	13.0
123.08018	0.8
129.06960	1.4
131.08545	22.5
132.08850	1.1
133.10107	30.3
134.03638	1.5
135.08035	5.9
135.11676	9.5
144.09305	2.0
145.02814	11.5
147.11595	0.7
149.02338	4.4
149.05939	4.5
149.09576	2.7
149.13245	14.9
153.93634	1.0
157.10146	1.0
159.11667	42.8
160.12102	1.8
172.87654	0.8
177.05423	7.1
177.12717	100.0
177.16304	3.4
177.23831	0.8
178.04938	0.9
178.08536	1.1
178.13066	3.8
186.05502	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0543
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
53.00305	0.3
53.03937	0.5
55.01859	0.5
55.05495	1.8
57.07066	0.4
59.04991	0.3
62.01578	0.3
63.02375	0.9
67.05491	2.4
69.03420	0.6
69.07050	5.0
69.07399	0.5
69.36388	2.2
69.36798	0.5
77.03856	0.3
78.04699	2.1
79.05473	3.9
81.07043	4.5
83.08604	2.2
88.02205	0.9
89.03900	30.7
90.04232	0.8
91.05460	4.7
93.07028	6.7
94.90006	0.3
95.04946	1.3
95.08586	8.7
97.10177	0.8
98.98454	3.7
101.82365	0.2
103.05463	1.7
105.03387	0.5
105.07020	1.7
106.04156	2.3
106.06506	0.3
107.04953	0.8
107.08575	9.9
109.06501	0.4
109.10144	3.0
109.44446	0.3
117.03354	62.9
117.06995	0.7
118.03693	1.1
119.04898	0.8
119.08559	0.9
121.02771	0.4
121.06488	2.2
121.10114	11.3
124.05180	1.0
131.04892	0.8
131.08524	1.5
132.46933	0.4
133.10094	0.7
134.03613	7.1
135.04401	5.7
135.08002	0.4
135.11661	3.7
145.02814	100.0
146.03156	2.7
149.02342	1.9
149.05949	21.8
149.09566	0.7
149.13187	2.4
150.06329	0.3
153.93616	0.5
158.05988	1.2
159.04396	4.3
159.08035	1.0
159.11668	1.3
162.03120	1.3
163.03883	1.4
177.05429	40.2
177.08850	2.5
177.12700	3.4
177.16342	15.3
178.05836	1.5
186.05458	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	177.0544
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
53.03952	2.1
55.01869	2.1
68.99783	21.2
70.87744	1.9
77.03909	0.8
77.61165	0.6
78.04721	1.3
79.05489	2.8
81.07050	14.8
89.03907	20.7
90.04214	0.6
91.05467	6.9
93.07034	6.3
95.04967	2.5
103.05457	13.2
105.04556	0.6
106.04169	1.9
107.04951	7.6
107.08602	0.8
112.18086	0.6
117.03368	46.0
118.03656	1.1
121.06495	18.8
121.10173	1.1
122.06899	0.6
124.05224	0.6
131.04924	4.0
134.03644	5.1
135.04398	6.1
141.35555	0.6
145.02831	67.3
146.03188	1.8
147.04399	0.7
149.05965	100.0
150.06303	3.1
158.05972	1.0
159.04376	1.6
163.03900	1.4
174.60382	0.6
177.05449	61.7
177.12639	1.2
178.05772	1.4
186.05321	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0545
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
53.03936	0.5
55.01857	0.4
55.05507	0.4
63.02366	0.9
67.05485	0.5
69.07057	0.5
69.87369	0.3
71.62250	0.3
78.04696	2.0
79.05468	1.2
81.07037	0.9
83.08601	0.5
84.42109	0.3
88.02214	0.6
89.03903	34.0
90.04240	0.6
91.05463	3.8
92.85860	0.3
93.07025	2.3
94.90096	0.4
95.04932	1.1
95.08596	1.4
98.98448	3.3
102.35747	0.3
103.05445	1.8
105.07018	0.9
106.04153	2.4
107.04931	0.4
107.08569	2.5
109.10151	0.6
114.52520	0.3
117.03362	65.5
118.03687	1.8
119.04943	0.6
119.08593	0.4
121.06489	0.7
121.10123	1.9
124.05206	1.0
131.04935	0.5
131.08551	2.1
133.10162	0.5
134.03606	7.9
135.04413	5.3
135.08070	0.8
135.11700	0.6
145.02823	100.0
146.03177	3.6
147.04388	0.4
149.02287	2.5
149.05956	22.6
149.13205	0.6
150.06322	0.9
153.93648	0.7
158.05984	1.5
159.08044	1.4
159.11681	0.8
162.03110	2.1
163.03865	2.1
177.05444	39.7
177.08783	2.0
177.12669	2.2
177.16302	2.2
178.05785	1.3
186.05467	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	176.0195
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02361	1.8
53.03935	30.1
54.04723	1.1
55.05501	13.5
58.99561	2.8
59.95872	0.8
59.96720	1.5
61.01139	23.5
62.99059	11.6
65.00626	12.1
65.03926	4.7
67.04224	1.8
67.05492	4.2
68.05022	6.4
69.03419	8.8
69.05792	1.5
69.07057	3.8
69.84579	5.1
70.04193	1.4
70.06567	2.8
71.04975	5.2
71.99078	7.7
72.08141	1.1
73.01127	2.1
75.02692	4.8
78.03438	9.6
78.96749	2.3
80.05014	2.0
81.07097	0.9
82.99537	4.7
84.00302	1.4
85.01112	49.7
86.01907	1.2
87.02676	34.7
89.00614	1.9
89.03846	2.7
91.05453	1.2
92.05783	1.3
93.07046	1.3
96.04472	66.4
98.21415	1.2
98.98429	3.5
100.02177	3.0
101.02956	3.8
101.04224	13.7
103.02151	30.5
103.08869	1.3
104.02936	3.1
105.06993	1.5
106.07375	2.3
107.08533	1.8
112.02169	100.0
113.02943	2.7
117.03735	13.0
118.06568	5.3
119.08543	1.6
120.08091	1.7
120.08913	3.7
130.06503	15.1
130.07437	1.0
130.65395	1.0
131.08464	1.1
133.10083	1.3
134.03578	1.4
134.10420	2.6
145.02809	13.2
148.75603	1.0
149.02248	1.2
149.05959	2.9
149.17982	1.0
158.05997	5.0
176.01965	84.8
176.06905	5.6
176.11539	0.9
176.15283	5.1
177.02180	1.7
177.05424	5.7
177.09024	1.3
177.12680	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0543
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
50.22994	0.5
53.03939	0.9
53.63231	0.5
55.01867	0.9
55.05499	0.7
56.96552	1.8
63.02365	1.0
65.03944	0.6
67.05485	1.7
69.07062	1.3
70.50619	0.8
70.50968	1.7
78.04707	2.3
79.05479	3.0
81.07036	2.9
83.01341	0.8
83.08617	0.9
88.02199	1.9
88.98035	0.5
89.03899	30.8
91.05459	11.1
93.07028	5.2
95.04965	2.5
95.08603	2.7
97.06490	0.8
98.98447	9.2
103.05447	2.6
105.06995	2.1
106.04150	3.6
107.04939	1.9
107.08553	4.3
109.06504	0.7
109.22499	0.6
114.01545	1.1
117.03352	50.0
117.07005	1.9
118.03689	1.4
119.04938	0.9
119.08561	2.2
120.05135	1.3
121.02213	1.2
121.06478	3.5
121.10126	5.1
124.05166	1.3
131.01872	0.6
131.04922	1.7
131.08553	2.2
131.55928	0.8
132.53087	1.6
133.10107	1.1
134.03600	7.8
135.04376	5.1
135.07941	0.9
135.11658	1.7
137.58707	0.6
143.06950	0.5
145.02814	75.7
146.03171	2.3
147.08075	1.0
149.02359	5.3
149.05948	100.0
149.09612	1.4
149.13222	1.3
150.06303	3.3
153.93727	1.2
158.06004	1.9
159.08028	0.8
159.11665	1.9
162.03065	1.8
163.03903	1.6
165.09032	0.8
177.05426	57.6
177.08914	6.0
177.12704	6.8
177.16293	3.4
178.05748	2.2
178.08633	0.7
186.05438	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	175.1481
Annotation	Ionene
Peak:m/z	Relative Intensity
55.05503	5.5
56.96570	0.4
57.03444	0.5
57.07063	0.5
60.05643	0.6
61.56508	0.3
67.05484	1.9
69.03429	1.4
69.07059	17.6
69.90590	2.1
70.06578	2.3
72.08124	0.4
79.05487	2.4
81.07056	4.6
82.06505	0.3
83.05001	0.4
83.08605	4.2
85.02891	1.0
87.04449	0.8
91.05469	7.6
92.90086	1.1
93.07025	2.6
95.08595	4.7
97.02888	1.4
98.98457	13.4
103.05427	0.6
105.07018	20.4
105.27412	0.4
107.08581	4.9
111.04394	0.6
112.02175	0.6
115.03877	0.5
115.05448	1.3
116.07093	0.5
116.97225	0.5
116.99506	0.5
117.06995	2.9
119.08564	70.0
120.08912	1.5
121.10116	2.3
125.02337	0.4
129.06992	1.8
130.06509	1.2
131.08545	3.5
133.06514	1.0
133.10115	57.7
133.92896	0.4
134.10463	1.5
135.11650	0.6
145.10100	4.0
146.10834	0.7
147.04416	0.6
147.08003	1.8
147.11668	9.7
150.96915	0.6
151.93794	1.9
157.10117	0.8
158.05995	0.4
158.10933	0.4
159.11679	0.5
160.05196	1.4
160.12459	2.5
173.13268	1.8
175.02393	0.4
175.03825	0.9
175.07430	4.9
175.11359	4.0
175.14801	100.0
176.07005	0.8
176.15225	3.4
176.34990	0.4
190.98308	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.148
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.8
55.01854	1.6
55.05500	10.2
56.33452	0.5
57.03416	1.1
57.07067	0.8
60.05640	1.5
63.98435	0.6
64.23956	0.5
65.03932	1.2
65.24838	0.5
67.05497	7.8
69.03404	2.9
69.07056	20.7
69.61778	4.7
69.94556	0.5
70.06575	4.2
76.39213	0.5
77.50500	0.5
79.05476	8.9
81.03394	0.8
81.07047	18.4
82.07332	0.6
82.93994	0.6
83.04978	0.7
83.08603	4.9
85.02894	2.5
87.04444	1.4
88.02188	0.7
91.05468	20.5
92.90057	1.8
93.07035	7.4
95.04947	2.0
95.08152	0.5
95.08592	15.4
97.02871	2.7
98.98454	25.5
103.05458	1.4
105.02841	0.6
105.07013	49.4
106.07336	1.3
107.04920	1.0
107.08570	11.6
108.19356	0.6
109.06444	0.8
109.10122	0.7
109.24020	0.5
111.04405	1.0
112.07545	0.6
115.03925	1.4
115.05425	2.9
116.06248	1.3
116.07034	1.3
116.99471	1.2
117.06995	4.2
119.08562	89.3
119.26907	0.6
120.08109	0.7
120.08910	2.2
121.10124	3.6
124.14364	0.5
125.02290	0.7
127.03797	0.8
128.06203	1.1
129.06992	4.5
130.03284	0.8
130.06508	1.4
130.59155	0.5
131.08546	7.8
132.05675	0.5
132.09305	0.9
132.95786	1.1
133.06491	3.7
133.10109	72.4
134.10464	1.8
142.07736	3.5
143.04843	0.9
145.06459	0.9
145.10121	5.5
146.07268	0.9
146.10851	1.9
147.04395	0.9
147.08023	4.5
147.09004	0.6
147.11670	19.4
150.96928	0.8
151.93840	3.4
157.10069	5.6
160.05165	2.6
160.08791	1.0
160.12454	2.9
169.95021	1.0
173.13235	2.5
175.03865	1.0
175.07481	13.6
175.11159	17.5
175.14793	100.0
176.07045	2.2
176.11554	0.7
176.15254	4.0
179.38455	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1479
Annotation	Ionene
Peak:m/z	Relative Intensity
53.03942	0.3
55.05505	5.6
56.30379	0.4
56.96564	0.4
58.30696	0.3
60.05636	0.7
65.88634	0.4
67.05495	1.5
69.03418	1.1
69.07058	13.5
69.43575	0.7
69.43977	2.9
70.06581	1.5
74.16160	0.3
79.05470	2.2
79.06761	0.5
79.92695	0.4
81.07050	8.3
83.04985	0.6
83.08590	2.3
85.02888	1.1
88.47938	0.4
88.84135	0.3
91.05460	8.3
92.05795	0.4
93.07020	3.4
95.04966	0.7
95.08592	6.5
97.02882	1.7
98.03651	0.5
98.98454	14.0
101.26566	0.4
103.05430	0.7
105.07018	23.3
107.08585	5.7
109.10095	0.4
111.04437	0.5
113.86314	0.3
115.03928	0.5
115.05423	0.9
116.07048	0.7
116.97211	0.4
116.99483	0.4
117.06999	2.7
119.08566	71.5
120.08851	2.1
121.06506	0.6
121.10112	2.1
129.06938	0.9
130.06511	0.7
131.08554	4.4
132.05724	0.4
132.95839	0.4
133.10114	65.5
134.10451	1.6
135.05611	0.4
142.07771	0.7
144.06172	0.7
145.10120	4.9
146.10858	0.8
147.04396	1.1
147.08040	1.1
147.11665	10.7
150.67883	0.4
151.93768	0.5
157.10095	0.8
159.11655	0.6
160.05171	0.7
160.12460	3.1
173.13182	2.0
175.03827	0.5
175.07434	3.2
175.11330	4.1
175.14801	100.0
176.07040	0.7
176.15143	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	175.1479
Annotation	Ionene
Peak:m/z	Relative Intensity
53.03915	0.7
55.01848	1.5
55.05503	8.0
60.05630	1.8
64.25639	0.7
67.05485	3.0
69.03402	2.7
69.07053	10.7
69.80267	3.6
70.06573	4.5
71.57220	0.6
79.05466	3.7
81.07037	15.6
83.04964	1.1
83.08614	4.1
83.90321	0.7
84.08935	0.8
85.02902	3.2
85.35855	0.8
87.04446	1.4
88.55398	0.6
91.05466	17.3
92.90029	0.9
93.07023	6.5
95.04929	0.8
95.08593	11.5
97.02896	3.4
98.98447	27.1
103.05434	1.6
104.96310	0.7
105.07013	44.4
105.17194	0.6
106.07330	0.8
107.04919	2.0
107.08568	8.1
109.10162	1.0
111.04438	1.4
115.03885	1.8
115.05440	1.0
116.07089	2.2
116.97195	1.0
117.06994	4.2
119.04940	1.6
119.08559	75.9
120.08079	0.7
120.08929	1.0
121.10081	0.9
127.72018	0.6
128.06247	0.8
129.06978	2.3
130.06506	2.6
130.09763	0.8
131.08545	8.2
132.05702	1.2
132.95857	1.2
133.06435	1.2
133.10106	54.0
133.92703	0.6
134.10425	1.1
139.03889	1.1
142.07697	1.1
145.06444	0.9
145.10152	3.3
146.10870	3.4
147.04413	4.0
147.08025	5.6
147.11667	17.1
150.96886	1.1
151.93814	2.5
157.10091	2.6
157.17746	1.0
158.05905	0.9
159.07750	0.8
160.05196	2.4
160.08766	1.6
160.12473	0.8
173.13226	2.1
175.03833	3.4
175.06047	1.5
175.07463	9.4
175.11110	8.6
175.14796	100.0
176.07076	2.1
176.15149	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	175.1189
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68661	0.2
60.05639	43.7
68.04993	0.3
70.06580	100.0
71.04987	1.7
71.06903	1.2
71.61202	0.4
72.08141	4.8
84.04478	0.3
84.08134	3.7
88.07634	0.5
88.51682	0.5
95.08714	0.2
97.07644	0.7
97.81083	0.2
98.06046	0.7
98.97580	0.4
105.03396	0.3
112.08711	4.7
113.07111	0.6
114.10284	0.8
115.08682	1.0
116.07073	35.1
116.98589	0.4
117.07426	0.4
119.01898	0.4
125.02510	0.2
128.49464	0.6
130.08652	2.1
130.09731	15.1
130.12280	0.5
130.99741	0.3
137.49986	2.2
137.99989	0.5
138.49884	0.8
140.00218	1.3
141.00092	0.5
142.32573	0.2
149.00764	3.7
149.50824	1.8
150.00677	1.4
157.10823	2.1
158.09233	11.7
159.07611	0.3
160.51617	0.4
166.99661	0.2
174.89639	1.1
175.11879	45.1
175.14377	1.3
176.12180	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1188
Annotation	Amino acid(Arg-)
Peak:m/z	Relative Intensity
56.96551	5.2
57.03435	0.7
60.05637	42.9
69.03403	0.7
70.06577	100.0
70.37595	1.8
71.04985	1.3
71.06910	1.2
72.08142	5.8
72.93738	0.5
73.02893	0.5
75.37862	0.4
79.00728	0.4
84.08127	1.5
84.92204	0.4
85.02905	0.7
88.07606	0.5
97.02866	0.5
97.07646	0.7
98.06032	1.2
98.97574	1.5
98.98454	1.3
101.00849	0.7
103.02406	0.9
106.00983	0.5
110.97565	1.5
112.08720	4.1
113.07121	0.5
114.10285	0.9
115.03320	0.8
115.08732	1.1
116.07068	32.8
116.97181	0.9
116.98581	1.0
117.07430	0.9
119.01896	3.0
121.01576	0.7
121.03500	0.5
127.08652	0.5
128.98581	1.9
130.06467	0.9
130.08701	0.9
130.09734	13.7
132.04468	0.5
133.03413	2.5
137.02934	0.6
145.03458	0.8
146.99643	1.8
151.04518	0.7
151.93826	0.6
157.07631	0.5
157.10805	1.5
158.06102	0.7
158.09229	10.7
174.99132	6.3
175.04488	4.6
175.11876	40.3
176.12216	0.9
193.00174	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	175.1116
Annotation	4,7-Dimethyl-1-tetralone
Peak:m/z	Relative Intensity
53.03939	0.8
55.01870	1.4
55.05506	5.3
57.03429	23.6
58.61684	0.9
59.04979	2.0
59.77599	0.8
60.05620	2.5
61.02901	1.1
65.03908	1.2
67.05498	10.6
69.03424	5.7
69.07040	3.8
70.06576	5.8
71.62579	1.3
79.05478	4.6
81.07050	4.3
83.08609	1.0
85.02877	4.3
87.04448	2.6
88.02190	2.0
91.05467	22.5
92.89972	5.0
93.07009	3.5
95.04957	14.3
95.08586	2.5
97.02875	4.2
98.03649	1.6
98.98450	46.2
103.05414	1.3
105.07014	29.1
107.04936	6.4
107.08551	2.5
111.04439	1.5
115.03889	1.6
115.05404	2.0
116.06232	1.9
116.07042	1.4
116.97178	2.2
116.99470	2.2
117.06994	7.7
119.08563	58.7
120.08111	1.0
120.08872	1.3
121.06470	4.0
125.02373	1.0
128.06195	1.8
129.05450	1.5
129.06949	6.3
131.04895	1.5
131.08546	5.6
132.05670	2.1
133.06467	24.2
133.10110	17.3
133.92877	2.2
135.08006	2.1
141.06947	1.3
142.07759	8.3
145.06476	7.4
145.10066	2.6
146.07242	25.3
147.04439	1.5
147.08023	58.3
147.11664	17.3
148.08405	1.7
151.93808	10.8
154.51343	2.1
157.04305	2.0
157.06456	1.1
157.07603	2.1
157.10097	11.9
160.08813	5.6
163.51869	1.0
169.94981	2.5
174.95534	1.2
175.03793	2.7
175.06013	2.3
175.07397	9.1
175.11151	100.0
175.13060	3.5
175.14629	13.3
176.07016	3.0
176.11433	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	174.1123
Annotation	N-Acetyl-L-isoleucine
Peak:m/z	Relative Intensity
55.01849	0.3
55.05494	1.2
56.05022	0.6
56.05845	0.5
57.03425	1.0
57.07076	0.4
58.06609	0.3
59.05008	0.3
60.04519	2.2
67.05499	0.5
68.05015	0.5
69.03397	1.2
69.07057	7.8
70.06576	1.2
70.95847	2.1
71.04980	0.3
71.62100	0.4
72.04503	0.9
72.08141	0.7
72.93788	2.0
73.52419	0.2
79.05474	0.4
81.07039	0.9
83.01294	0.2
83.04978	1.0
83.08595	0.3
84.04488	1.4
84.05293	0.5
84.08115	0.2
85.02891	1.2
86.06063	0.6
86.09692	100.0
87.04457	0.4
87.09545	0.3
87.09991	1.3
88.96862	0.5
90.94821	1.4
91.05466	2.0
92.90016	0.3
93.07020	0.5
95.08585	0.8
96.04494	1.2
97.02881	3.8
98.98450	7.5
100.07627	0.3
101.06009	0.2
102.05512	0.4
102.06321	0.4
105.07017	3.1
107.08566	0.4
108.95866	0.3
111.04438	0.8
111.98461	2.1
112.04752	0.7
112.11208	0.2
113.96372	0.5
114.05524	2.5
115.03907	0.9
115.05437	0.5
116.07081	0.3
116.52947	0.2
116.99489	0.4
117.07027	0.4
118.06525	1.5
118.07301	0.4
119.08559	4.2
120.08911	0.3
128.04959	0.3
128.07103	1.4
128.10695	31.6
129.06973	0.5
129.11026	0.5
129.99486	1.6
130.05699	0.3
130.06500	0.6
130.07370	0.2
131.08543	0.7
131.97418	0.4
132.05705	0.3
132.06581	0.3
132.08115	1.2
132.08960	0.8
132.10184	11.5
132.95808	3.0
133.10095	2.4
139.03903	0.4
145.10068	0.3
146.05983	1.8
146.08090	1.0
146.10510	0.6
147.04417	0.4
147.08032	0.5
147.11652	0.9
149.96089	0.3
150.96872	7.8
151.93893	0.6
155.97406	2.3
156.07324	0.9
156.10178	0.7
157.09982	0.2
158.09683	0.3
159.07968	0.2
159.11203	0.7
160.05171	0.7
160.49461	0.2
167.97141	0.4
168.97871	0.5
173.98457	3.2
174.05428	2.4
174.07458	4.2
174.08911	0.2
174.10036	0.9
174.12801	4.3
175.05994	0.4
175.07411	2.3
175.11217	0.9
175.14806	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	174.0759
Annotation	N-Acetyl-L-glutamate 5-semialdehyde
Peak:m/z	Relative Intensity
53.03934	0.8
55.01870	0.5
55.05515	1.1
56.05023	2.2
56.05845	0.7
57.03428	9.2
58.02950	0.5
60.04517	40.4
61.02909	0.5
61.61551	0.4
61.87806	0.4
62.32659	0.4
65.03923	1.0
67.05488	1.1
67.74297	0.4
68.05012	4.1
68.05823	0.4
69.03420	13.2
69.07063	3.3
70.06583	1.9
70.95845	2.4
71.62694	0.7
72.04513	1.1
72.08122	0.7
72.42674	0.4
72.62681	0.4
72.93787	2.4
73.02898	0.6
79.05471	0.9
81.07052	1.1
82.06535	0.5
83.04980	0.8
84.04493	24.5
84.05276	0.8
85.02891	11.4
85.04803	0.5
86.06071	2.9
86.09693	23.4
87.04462	1.1
88.96890	0.9
89.03872	0.9
90.94787	1.1
91.03945	0.8
91.05467	12.8
92.05802	0.5
93.07026	1.0
95.08572	1.6
96.04478	11.8
97.02876	79.9
98.03209	1.4
98.98448	11.9
100.03963	1.2
100.07530	0.5
101.06012	0.7
102.05529	7.7
102.06286	0.5
105.07034	1.6
106.07323	0.7
107.04972	0.6
108.95856	0.5
111.04377	0.9
111.98469	2.9
112.04776	1.0
113.09655	1.1
113.96365	0.5
114.05513	35.4
115.03914	9.2
117.07006	1.0
118.06507	1.4
118.07334	0.9
119.04923	6.2
119.08543	2.8
120.08916	0.7
123.74870	0.4
126.05465	0.4
128.07048	0.9
128.10698	7.9
129.03331	0.5
129.06932	1.4
129.99455	2.2
130.06532	0.7
130.07350	1.0
131.08536	1.6
131.97394	0.5
132.05681	0.8
132.06537	4.4
132.08034	1.6
132.08882	6.0
132.10132	2.7
132.95813	4.2
133.04968	0.7
133.10130	2.9
138.05452	1.2
142.23604	0.5
144.08897	0.9
145.06308	1.4
145.10001	0.7
146.05962	4.3
146.06882	0.5
146.08049	1.0
146.10429	2.8
147.04384	3.3
147.07986	0.7
147.11668	0.6
150.96872	11.7
155.97397	3.1
156.06522	2.3
156.07585	0.8
157.04007	0.6
159.11250	2.5
160.05141	0.6
168.97972	0.8
173.98476	4.5
174.07587	100.0
174.12602	3.3
174.13557	8.5
175.03873	2.0
175.07623	3.6
175.11090	0.8
175.14777	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.1322
Annotation	1,1,5-trimethyl-1,2-dihydronaphthalene
Peak:m/z	Relative Intensity
53.03937	0.4
55.05498	4.7
57.03421	1.1
57.07058	1.3
59.04992	1.2
59.97085	0.4
67.05499	3.0
69.07046	0.8
69.89079	0.6
69.89484	2.1
71.04988	1.0
71.06088	0.4
72.93760	0.4
76.02226	0.8
79.05477	3.5
81.07041	4.2
83.04970	5.4
86.09672	0.5
87.04442	0.5
90.90380	0.6
90.94817	0.8
91.05463	12.4
93.07025	3.3
95.04920	0.6
95.08574	1.7
96.04471	0.4
98.98425	0.7
99.04449	1.0
99.08076	1.4
100.07590	0.4
101.06007	4.1
103.03258	1.8
103.05444	0.6
105.07008	14.3
107.08587	1.4
109.10078	0.4
111.04421	5.7
112.07637	0.4
113.05975	0.6
115.05460	2.0
116.06209	1.1
117.06994	18.4
118.06523	0.7
119.08568	4.3
122.08997	0.5
127.07541	1.1
128.06200	0.5
128.07056	0.6
129.05479	3.9
129.06984	3.8
130.07745	1.9
131.00089	0.4
131.08540	100.0
132.07977	0.6
132.08804	2.6
137.05904	0.4
143.08548	2.3
144.09302	3.1
145.06456	1.3
145.10094	23.7
146.05907	0.4
146.10455	0.4
149.94009	0.5
150.01292	0.3
155.05910	0.4
155.07021	5.1
158.07347	0.4
158.10884	2.2
171.11688	1.5
173.05855	1.1
173.08203	12.0
173.13226	99.1
174.05379	0.4
174.12674	1.4
174.13594	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.0594
Annotation	4-(Furan-3-yl)benzaldehyde
Peak:m/z	Relative Intensity
55.05500	17.9
57.03418	1.4
57.07056	0.9
59.04976	3.5
67.05487	4.8
68.05003	1.2
69.03397	1.2
71.04978	1.5
71.06094	1.6
71.57355	1.4
72.04496	1.2
72.93773	7.5
76.02199	2.1
79.05451	1.2
81.07014	2.3
83.04954	18.9
86.06071	1.1
87.04433	1.5
89.02393	1.2
89.03900	1.4
90.39404	1.0
90.90368	16.7
90.94794	6.1
91.05459	14.8
96.04507	1.3
99.04375	0.9
101.05990	13.7
103.03280	5.7
103.03876	1.0
103.05441	0.9
105.03373	1.3
105.07005	2.4
108.91431	1.4
108.95847	2.6
109.06425	1.4
109.10136	3.4
111.04411	23.1
113.05960	2.2
113.10752	1.1
113.96358	1.2
114.05485	1.4
115.05424	31.6
116.06259	1.4
117.06993	57.5
118.06514	2.2
127.05408	1.5
127.07523	2.3
128.07068	1.4
129.05464	13.5
129.06979	1.4
130.06483	1.2
131.08559	9.9
131.92992	5.0
132.08058	1.7
137.05910	1.5
143.08507	5.0
145.02814	2.7
145.06454	82.5
145.07442	3.2
145.10085	6.0
146.06854	2.0
146.07985	1.1
149.94003	20.8
149.96045	2.5
155.04982	1.1
155.05956	3.1
155.07034	18.2
158.10864	6.6
167.95084	3.8
167.97119	3.7
172.95645	3.9
173.02324	2.9
173.05949	100.0
173.08192	36.6
173.09743	2.0
173.13206	21.3
174.07629	1.8
174.12798	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	173.0593
Annotation	6-Methyl-1,4-naphthoquinone
Peak:m/z	Relative Intensity
51.02359	0.5
53.03924	2.0
55.01862	1.6
55.05489	2.2
59.04982	0.4
60.95834	0.5
62.34377	0.3
64.31184	0.3
65.03928	1.0
67.01846	1.6
67.05490	1.0
69.37255	3.4
77.03907	1.0
78.04683	0.4
79.05478	11.5
81.07061	0.5
83.04948	1.8
87.04417	0.4
89.03903	1.1
91.05463	54.8
92.05797	0.9
93.03442	0.5
95.04955	2.9
101.06000	1.5
102.04643	2.1
103.03281	0.6
103.05444	11.2
104.05747	0.4
105.03376	1.6
105.04482	0.9
105.07008	36.7
106.07353	0.9
107.04903	0.4
111.04422	2.9
115.05428	100.0
116.06299	6.8
117.06992	69.1
118.07322	1.3
119.04919	2.9
119.08539	0.5
119.14296	0.3
120.05183	0.4
121.02843	0.8
126.04673	0.5
127.05404	5.5
127.07514	0.4
128.06186	1.7
129.05396	0.9
129.06952	0.6
130.04158	0.5
131.01248	0.8
131.04893	2.1
131.08533	5.6
135.08014	0.8
143.04869	0.7
143.08588	0.5
144.05719	2.2
145.06451	42.7
145.10126	1.4
146.06769	1.2
149.02351	0.5
155.04852	0.7
155.05998	4.0
155.07013	1.5
156.06458	0.5
158.02364	0.4
158.03537	2.5
158.07317	0.5
163.07492	1.7
166.80797	0.4
169.44618	0.4
172.67274	0.4
173.05945	42.5
173.08110	3.9
173.13231	5.2
174.06332	1.3
176.04614	0.5
191.06993	12.3
191.15651	0.4
192.07329	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	172.9559
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49948	0.2
55.05493	1.1
55.93515	0.6
56.45366	0.2
56.96542	0.5
69.03411	0.4
69.86617	1.4
70.06567	0.2
70.95838	0.7
72.04490	0.2
72.93779	3.3
83.04957	1.5
84.08131	0.5
85.02888	0.4
89.94016	0.4
90.90363	83.1
90.94808	2.6
91.90384	0.7
92.17599	0.2
100.02467	0.6
101.05993	0.8
103.03250	0.4
108.91385	5.6
108.95826	0.6
111.04400	1.4
111.98449	0.6
112.48009	0.3
113.10756	0.3
113.96375	1.4
118.03502	0.4
120.02525	0.4
125.96106	0.3
126.92401	1.4
129.03133	0.3
129.05431	0.4
129.99480	0.4
131.53316	0.3
131.92960	27.5
131.97415	2.1
132.93182	0.3
132.95822	1.0
137.89490	0.3
140.49857	0.2
140.53824	0.4
145.10043	0.3
149.94014	100.0
150.94199	0.9
150.96794	1.5
151.94487	0.3
154.98975	0.3
155.07037	0.9
155.97424	0.7
167.95070	12.5
167.97121	1.8
172.95616	19.7
173.08134	3.1
173.13167	0.6
173.95782	0.6
173.98457	0.8
190.96712	1.9
190.98196	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	172.1694
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90204	0.3
53.03933	0.5
55.01866	0.6
55.05502	11.8
56.05027	7.1
56.96561	1.6
57.03423	0.8
57.07069	1.5
58.06587	2.9
59.04993	1.2
60.04525	0.6
62.06089	0.7
67.05500	4.0
69.03437	0.6
69.07059	23.3
69.99564	2.0
70.06580	1.9
71.04979	0.5
71.08621	0.4
72.04505	1.2
72.93777	4.1
73.04832	0.7
74.05649	0.8
74.06072	14.5
75.69913	0.4
76.02200	0.4
79.05485	0.8
81.07051	1.9
82.06568	0.5
83.04971	7.5
83.08612	1.3
84.04494	0.8
84.08138	2.5
85.06531	0.8
87.04466	0.8
88.07607	1.1
89.02357	0.4
89.07133	1.0
89.94045	0.7
90.90372	3.4
90.94809	4.1
91.05476	1.7
92.01315	0.4
93.07066	0.4
94.83605	0.3
95.04944	0.8
95.08596	1.6
96.01508	0.4
98.06007	0.7
98.09692	1.3
98.97574	1.0
99.04421	0.5
100.07603	0.6
101.06005	4.6
103.03268	0.8
105.07028	0.8
107.04945	1.2
108.95859	1.8
109.10137	3.4
111.04425	6.6
111.11667	0.4
112.07587	0.4
112.11209	0.4
113.05978	0.8
113.96395	1.4
115.05425	0.6
117.07040	1.8
119.01783	1.9
120.02540	0.5
125.96111	0.9
126.05513	0.7
126.09160	0.8
127.07519	1.1
128.02292	1.0
128.06215	0.5
128.14340	47.1
129.03107	1.0
129.05461	4.3
129.06979	1.0
129.14671	1.1
130.07770	0.6
130.52551	0.5
131.04929	1.2
131.08551	3.2
131.92964	0.5
131.97412	0.9
132.05693	0.4
137.02788	0.5
137.05984	0.4
139.53107	1.0
143.08540	0.7
145.06470	2.1
145.07494	0.5
145.10115	2.8
148.97678	1.1
149.94052	3.8
149.96065	1.5
154.08633	0.6
154.15872	3.2
155.07025	6.9
155.08493	1.1
158.07271	0.7
158.10890	0.9
167.95139	0.8
167.97153	3.6
172.09665	1.6
172.11198	1.5
172.16940	100.0
172.95648	0.7
173.02321	5.1
173.05911	0.7
173.08124	11.8
173.09613	6.5
173.11763	0.8
173.13184	3.7
173.17302	3.1
173.94211	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	172.0526
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16870	2.3
55.01848	7.1
55.05486	8.3
55.91787	2.1
56.05013	2.7
56.96553	43.5
57.03426	36.9
58.39234	1.9
58.99846	5.6
61.02917	11.6
67.05489	3.6
68.67718	2.8
68.99777	3.0
69.01895	2.7
69.03407	5.5
69.51939	2.5
70.01758	3.6
70.06557	9.2
70.19777	9.8
70.98105	3.1
70.99831	4.1
71.04978	3.1
72.08127	7.5
72.93768	9.1
73.01380	3.1
73.02911	14.8
75.04449	7.2
76.52734	3.4
77.00872	5.6
78.52920	3.0
81.01884	2.7
81.03403	4.1
82.01423	7.6
82.02648	5.4
83.04955	5.4
84.02413	2.4
84.04465	4.6
84.08124	14.0
84.99226	3.6
85.02886	21.6
85.06516	2.5
86.02010	2.3
86.06040	2.4
86.09669	8.0
88.02649	3.0
89.00798	2.8
89.02372	2.6
90.02393	2.8
90.90343	2.6
90.94793	7.4
91.02441	15.7
91.03193	3.3
95.51646	2.6
96.01508	3.6
97.01357	2.7
97.02873	4.1
97.99162	3.8
98.06043	4.0
98.97562	49.1
99.04418	2.8
100.02466	21.6
101.00865	24.3
101.01572	4.0
101.02525	3.7
101.06038	2.8
101.53213	2.9
102.00931	5.2
102.02210	3.4
103.00623	6.0
103.01311	2.7
103.03154	3.9
104.01237	2.1
104.56030	2.7
105.02134	4.3
105.03976	2.4
105.96275	2.2
106.01773	2.0
108.95841	2.2
109.01346	12.1
109.03469	6.8
109.51433	25.1
109.52119	2.9
110.01229	31.8
110.02106	12.0
110.51416	2.7
110.52154	4.4
111.00237	4.1
111.04396	7.6
112.52383	2.3
112.54385	3.8
113.00837	2.6
113.01665	2.1
114.04028	11.5
115.01247	2.3
115.01572	2.6
115.02396	28.5
116.02404	2.1
116.52196	2.6
116.98595	35.3
117.01938	2.9
117.02918	5.4
117.03955	4.4
118.01877	13.7
118.03493	12.9
118.51933	29.2
119.01846	94.3
119.51942	4.3
119.52726	3.4
120.01948	16.1
121.01479	11.2
121.02351	4.5
121.52037	6.5
121.52882	3.5
122.03042	7.9
122.52786	6.6
123.52641	3.4
124.01826	14.8
124.51913	3.7
125.52634	5.0
126.09186	2.6
127.07024	5.1
127.52451	4.3
128.02303	30.7
128.98497	3.8
129.03966	14.1
130.02747	2.7
130.52547	7.8
130.53407	4.1
131.00162	5.6
131.01849	15.8
131.02704	2.5
131.03496	15.2
131.53352	7.6
131.92871	2.3
131.96074	2.4
132.05046	12.6
133.02374	9.3
133.03426	42.9
134.03519	10.2
134.99651	17.4
135.03145	5.0
135.04997	5.7
135.52679	3.0
137.02846	33.1
138.03030	4.7
139.53038	9.3
140.00269	4.6
140.03185	9.9
141.02946	3.0
142.03452	9.6
143.01787	4.3
143.03429	2.5
144.05026	3.8
144.53152	7.4
145.03432	14.1
146.99622	4.5
147.04997	16.0
148.53578	7.4
148.97417	5.1
149.01169	9.5
149.03703	100.0
149.53778	19.7
149.97165	5.4
150.03621	2.7
151.53973	6.4
153.00632	2.5
154.03430	3.0
155.06952	2.9
155.11746	6.8
158.01274	6.5
160.04709	2.6
160.54480	18.2
161.01425	2.0
161.02924	7.7
161.04445	3.9
167.97141	2.9
172.02959	2.5
172.04549	3.2
172.09674	7.0
172.13208	3.2
173.02948	4.1
173.08061	8.6
175.00807	4.3
175.04521	4.1
177.02309	3.7
186.02473	5.7
187.00774	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	169.1221
Annotation	(E)-2,4-Ochtodiene-1,6-diol
Peak:m/z	Relative Intensity
52.99993	0.2
53.03938	0.3
53.23243	0.2
55.01864	26.9
55.05507	1.7
55.93511	0.3
56.02179	0.3
57.03423	0.5
57.07063	0.4
59.05004	0.2
59.78162	0.2
65.03931	0.8
67.05495	4.1
68.99766	0.2
69.03412	0.4
69.07058	8.7
71.04985	1.3
71.62060	0.4
79.05481	3.2
80.17474	0.2
81.03417	0.8
81.07043	5.4
83.04964	0.6
83.08607	0.6
85.02900	0.4
85.06537	0.7
86.43364	0.2
90.87242	0.2
90.87875	0.2
91.05470	2.2
93.07027	2.1
94.07352	0.2
95.04959	3.4
95.08591	15.0
96.08928	0.4
97.02908	0.3
97.06518	4.4
97.10150	0.4
99.04447	0.6
103.05523	0.2
105.07005	3.7
106.07435	0.2
107.04930	0.9
107.08578	4.8
109.02879	1.8
109.06501	100.0
109.10134	2.8
110.06066	0.3
110.06803	2.3
111.00793	0.6
111.04421	0.5
111.08064	4.3
113.06008	0.4
119.06067	0.4
121.10115	0.3
123.04416	0.4
123.08051	6.3
123.11665	2.6
124.11230	0.4
125.05995	0.4
125.09605	0.7
126.03120	1.4
127.07487	0.5
127.11175	0.2
128.95082	0.8
129.85796	0.3
133.06500	1.0
133.10097	0.9
137.02361	1.1
141.05450	3.4
141.06589	0.3
141.07025	0.2
146.96095	1.1
151.03845	0.4
151.07515	3.2
151.11154	5.5
152.03389	0.3
152.07037	0.9
154.02531	0.4
154.06230	0.2
163.97624	0.2
169.04973	2.2
169.06392	0.3
169.08647	3.6
169.09999	0.4
169.12195	2.6
170.08168	0.4
170.09584	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.101
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15879	0.2
54.93612	0.2
63.02328	0.2
67.05495	0.3
69.40997	1.7
69.41409	0.5
79.05463	0.3
81.07037	0.3
91.05467	5.2
95.08595	0.3
103.05465	0.2
106.38522	0.2
115.05424	2.4
118.75168	0.2
128.06209	6.7
128.07104	0.4
129.06993	7.0
130.07368	0.2
141.06967	47.0
142.07248	2.0
152.06201	1.0
153.05721	0.5
153.06970	8.1
154.07755	37.3
155.08145	1.7
165.07022	0.4
167.08522	3.1
168.08911	1.4
169.10098	100.0
170.09393	0.7
170.10683	3.8
181.79037	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.1222
Annotation	(6E)-8-Hydroxygeranial
Peak:m/z	Relative Intensity
53.03926	3.1
55.01862	6.2
55.05505	17.4
55.93505	4.3
56.96547	2.5
57.03420	5.6
57.07072	8.2
59.04981	2.2
65.03930	6.1
67.05496	92.3
67.14919	1.5
67.93517	1.3
68.05822	1.2
68.99797	2.1
69.03424	7.0
69.07054	18.4
69.42582	10.5
71.04985	100.0
72.05305	1.4
72.08151	1.6
79.05479	27.4
80.41557	1.1
81.03411	7.4
81.07047	86.4
82.07362	1.9
83.04965	11.2
83.08602	4.5
85.02873	3.7
85.06533	75.6
85.94588	1.9
86.06841	2.0
88.96891	2.7
91.05466	42.0
92.05006	1.3
93.05730	1.5
93.07037	22.1
95.04951	14.7
95.08595	21.9
96.08122	1.4
97.02872	1.3
97.06526	10.1
99.04420	5.8
105.07019	36.9
107.08583	43.9
108.08897	1.8
109.02855	12.8
109.06509	19.2
109.10139	71.2
110.10487	2.1
111.00773	8.9
111.04461	7.0
111.08073	10.3
113.05997	4.0
115.05405	1.9
121.10070	2.1
123.04396	2.7
123.08047	15.0
123.11694	23.6
124.07578	4.4
125.05984	2.5
125.09590	4.2
126.03127	14.1
127.03931	2.2
127.07514	2.6
128.95081	8.6
131.08557	3.3
133.02856	1.9
133.10115	68.0
134.05946	1.4
134.10486	1.4
137.02333	1.6
139.11148	1.5
141.05450	44.0
141.06975	2.7
141.09045	1.5
142.08568	2.2
146.96109	15.4
146.97202	2.1
151.03880	4.5
151.07489	3.3
151.11172	52.2
152.07039	4.2
154.02597	1.9
154.07742	2.7
161.05136	1.2
163.97691	4.1
169.04964	24.9
169.06400	3.3
169.07510	2.5
169.08617	3.1
169.09938	7.9
169.12218	19.9
169.14476	4.0
169.97652	2.9
170.08192	3.1
170.09627	7.0
170.15375	3.1
181.98714	2.4
189.19327	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.0857
Annotation	3-(3,4-Dihydroxyphenyl)-1-propanol
Peak:m/z	Relative Intensity
53.03937	1.5
55.01862	100.0
55.05508	3.2
55.93514	2.7
56.02198	1.1
56.96545	1.3
57.03426	0.8
57.07065	1.2
65.03931	2.5
67.05495	14.3
68.99765	1.1
69.03416	1.1
69.07056	33.8
69.60263	4.5
70.06561	0.6
71.01363	0.7
71.04996	2.0
79.05476	9.3
81.03385	3.7
81.07042	12.5
83.04964	1.5
83.08604	0.7
84.04486	0.7
85.02905	1.5
85.06556	2.1
85.94606	1.1
88.96902	1.1
91.05460	9.3
92.05007	1.1
93.07034	5.9
95.04960	5.2
95.08589	61.5
96.08124	0.9
96.08958	1.3
97.06511	16.6
98.03672	0.8
98.21466	0.9
99.04459	3.1
103.95658	1.0
105.07014	12.9
105.07661	1.1
107.04947	2.5
107.08571	14.6
109.02856	6.7
109.06504	21.4
109.07236	1.1
109.10127	4.6
111.00795	3.0
111.04436	3.0
111.08090	2.5
113.02371	0.7
113.06016	0.6
119.06078	1.3
123.04449	2.6
123.08052	22.1
123.08931	1.2
123.11687	3.9
124.04694	1.7
124.07603	1.8
125.06054	1.1
125.09642	0.8
126.03139	5.1
127.03900	1.3
127.07537	0.9
127.11180	1.3
128.95068	5.0
131.97488	0.8
133.06487	3.3
133.10135	2.1
138.35512	0.6
141.05438	18.5
141.07051	1.7
141.09135	0.7
142.08653	0.7
146.96115	6.8
146.97020	0.6
151.03935	1.7
151.07530	13.1
151.08644	0.7
151.11227	1.7
152.03462	2.1
152.07088	2.2
154.02623	0.6
154.07790	1.3
163.97765	2.4
166.16075	0.6
169.04973	10.1
169.06366	1.0
169.08646	15.0
169.10085	3.2
169.12259	1.9
169.17799	0.6
170.08138	2.6
170.09656	3.3
181.98810	1.0
182.98865	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.0856
Annotation	Methylhexahydrophthalic anhydride
Peak:m/z	Relative Intensity
50.79228	0.2
53.03932	0.6
55.01860	100.0
55.05501	4.6
55.93513	0.3
55.99350	0.2
56.02201	1.2
57.03413	0.5
57.07064	1.1
58.06620	0.2
64.57327	0.2
65.03919	1.3
67.05491	10.8
68.05827	0.3
68.99786	0.3
69.03410	1.3
69.07053	30.4
70.01853	0.9
70.02264	0.5
70.06554	0.3
70.07383	0.4
71.04994	1.9
71.08614	0.3
72.04515	0.3
73.02900	0.5
79.05476	10.5
81.03403	1.9
81.07039	9.4
81.07510	0.6
83.04961	0.9
83.08595	2.9
84.08134	0.3
85.02905	0.4
85.06521	1.4
86.06056	0.7
91.05466	7.4
93.07025	4.1
95.04949	2.8
95.08586	55.9
96.04400	0.3
96.08922	1.2
97.06510	16.3
97.10139	3.4
99.04434	1.7
99.08068	0.4
100.07598	0.3
100.11259	0.6
105.07007	12.2
107.04924	2.5
107.08571	14.9
108.08936	0.4
109.02883	2.7
109.06493	38.3
109.10130	2.7
110.06092	0.3
110.06865	0.8
111.00793	1.1
111.04429	1.4
111.08061	2.4
113.05954	0.5
115.05376	0.3
119.06058	0.8
121.10118	0.6
123.04409	0.8
123.08041	21.8
123.11669	2.8
124.07538	0.5
124.08385	0.6
124.11194	1.2
125.05989	0.7
125.09593	3.5
126.03139	2.0
127.03925	0.5
127.07540	0.9
128.95067	1.4
133.06474	3.1
133.10117	1.0
134.05939	0.3
135.08035	0.9
139.11189	0.4
140.68503	0.2
141.05444	6.0
141.06993	0.5
142.12262	0.6
145.96625	0.3
146.96100	1.5
151.03888	0.8
151.07515	11.8
151.11130	2.0
152.03467	0.6
152.07030	0.9
154.02563	0.3
157.64871	0.2
163.97685	0.6
169.04962	2.9
169.08604	13.8
169.09970	0.8
169.12184	2.2
169.14487	0.6
170.08092	0.4
170.09648	0.6
170.11716	2.0
182.32634	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	168.0419
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	4.3
56.96557	6.5
62.48787	3.3
63.18029	3.4
67.05483	4.2
71.04993	3.9
71.31845	6.5
73.02907	4.2
82.94824	6.4
94.06531	11.5
98.03961	4.6
103.03195	4.0
106.02813	6.0
106.06518	4.9
110.03966	4.3
115.03375	3.1
119.01842	9.0
119.04483	5.4
119.15786	3.3
120.73865	2.9
121.01654	7.1
122.06011	9.7
123.97434	7.2
130.05463	3.9
131.01892	6.7
133.03413	8.1
134.05922	5.0
145.03452	6.2
145.44539	3.4
148.06522	8.7
149.01282	4.2
150.05476	100.0
151.04773	25.3
152.03171	11.5
152.07072	8.3
154.03552	3.7
162.95851	6.6
168.04169	4.1
168.06497	13.7
177.06039	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	168.0251
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	0.6
56.96537	1.7
57.67328	0.4
65.03898	0.7
67.05476	0.8
67.92494	3.9
67.93557	1.0
69.03410	0.6
69.07052	0.8
71.61150	0.6
81.03403	0.8
82.01443	0.8
82.94821	7.5
84.99581	1.6
85.93540	1.0
85.94599	0.6
85.97253	2.3
94.06533	0.6
100.02476	4.2
100.95877	0.9
102.02193	1.8
103.00614	14.6
103.01247	0.5
103.95611	0.7
103.98302	15.0
104.00902	5.4
104.98361	0.7
108.04478	0.5
109.02864	2.6
111.03784	0.7
111.04449	0.9
115.01159	0.8
115.02405	0.7
117.02183	0.9
118.03489	2.6
119.01884	2.5
120.02007	2.1
120.03222	1.5
121.01639	94.1
121.02269	4.3
121.99342	71.7
122.01937	40.4
122.05937	0.7
122.10468	0.5
122.99413	2.8
123.02032	2.3
123.97415	5.7
124.04622	1.4
126.02166	2.4
126.03096	1.2
126.93741	4.2
126.95575	0.6
126.97131	0.6
126.99820	2.5
127.02431	2.5
128.51324	0.5
133.03392	0.8
137.51935	2.9
139.02664	38.7
140.00375	59.3
140.02974	17.4
140.95074	1.0
141.00439	2.1
141.03053	1.7
141.05473	3.0
141.50333	0.9
144.03203	41.0
144.52069	1.2
144.94814	2.7
145.00925	87.3
145.03549	69.0
146.01038	3.0
146.02795	0.9
146.03795	1.6
146.52477	9.4
147.02544	1.7
149.02742	5.1
149.52901	1.3
150.03568	3.9
150.05452	0.9
158.03268	7.2
158.53391	2.1
159.04099	5.7
160.53577	0.7
161.54343	0.7
162.04256	17.1
162.95848	5.3
163.01962	100.0
163.04619	28.8
164.02087	3.8
164.04781	1.2
167.04814	1.6
167.96436	1.9
168.02510	3.5
168.05132	4.3
168.06517	2.0
169.04877	1.2
170.54961	0.5
172.05031	0.6
185.97424	2.0
186.03525	2.8
186.06178	0.7
187.07399	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.0857
Annotation	Methylhexahydrophthalic anhydride
Peak:m/z	Relative Intensity
51.00131	0.4
53.03945	0.6
55.01863	100.0
55.05509	2.5
56.02191	1.1
65.03922	1.2
67.05492	9.3
69.03423	0.9
69.07057	31.2
70.71011	1.0
70.71414	0.9
71.04972	1.2
79.05476	7.4
81.03415	1.4
81.07049	6.3
83.08592	0.6
85.06516	0.6
91.05457	6.6
93.07033	2.8
95.04963	2.4
95.08591	53.4
95.45508	0.5
96.08961	1.5
97.06516	16.9
97.07126	0.9
98.06094	0.4
98.06876	0.5
99.04469	0.5
104.90561	0.5
105.06306	0.4
105.07005	11.8
107.04913	2.7
107.08572	12.3
107.09260	0.7
109.02903	2.1
109.06502	28.4
109.10175	1.7
111.04431	1.1
111.08093	1.6
119.06025	0.6
123.08048	19.1
123.11721	1.4
124.08432	0.6
126.03139	1.9
127.11202	0.6
128.95116	0.8
133.06516	2.8
141.05446	5.2
141.06982	1.2
146.96159	1.1
151.07510	11.1
151.08614	0.8
151.11165	0.6
154.07861	0.8
163.97739	0.6
169.05017	2.5
169.06386	1.0
169.08604	12.5
169.10019	1.0
169.12224	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1429
Annotation	beta-fenchocamphorone
Peak:m/z	Relative Intensity
53.03944	1.3
55.01857	1.9
55.05500	36.4
57.03439	7.6
57.07059	3.1
59.04986	1.2
65.03954	1.4
67.05492	45.9
67.62419	1.3
67.93552	1.3
68.05811	1.3
69.07056	84.1
70.54536	1.7
70.54863	3.0
71.04981	12.1
79.05483	24.5
81.06565	2.6
81.07043	57.0
83.04986	7.4
83.08604	77.5
84.08942	2.1
85.06527	7.8
85.94575	1.9
91.05432	6.3
93.06459	2.3
93.07030	44.8
95.04939	3.1
95.08585	17.7
97.06519	18.7
97.10126	6.1
98.06005	1.3
99.08061	3.5
102.94802	1.7
103.05463	1.3
105.07023	3.3
107.08581	44.4
109.02850	2.3
109.06487	4.3
109.10139	6.9
111.04403	1.6
111.08057	28.0
121.01628	1.6
121.06506	1.5
121.08423	3.7
121.10113	19.9
123.11671	5.7
125.09610	4.6
139.07498	3.8
140.95168	1.4
144.03209	2.3
148.85904	1.2
149.02310	2.4
149.09566	2.9
149.13235	92.9
150.05479	3.0
150.13559	2.6
167.03377	2.6
167.07054	6.5
167.08321	2.3
167.10675	5.9
167.14293	100.0
168.06577	2.3
168.08041	3.3
168.14609	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	167.1065
Annotation	(E)-Lyratic acid
Peak:m/z	Relative Intensity
50.87962	1.1
51.02353	1.1
53.03929	4.2
55.01862	6.4
55.05494	10.2
56.96548	0.9
57.03418	3.0
57.07049	2.3
59.04987	2.3
61.64257	0.9
65.03934	2.3
67.05494	18.0
67.93556	1.8
69.03414	11.7
69.06762	0.9
69.07064	9.6
70.06569	1.0
71.04958	4.0
71.62994	1.1
77.03920	1.1
78.04691	4.3
79.05479	40.6
80.04993	1.1
80.05806	1.1
80.71015	0.9
81.03400	4.3
81.07043	18.2
83.04969	15.2
83.08591	3.5
84.08151	1.6
84.93803	1.1
84.96010	1.8
85.02884	2.6
85.06512	1.9
85.94569	1.5
91.05470	14.7
93.03382	1.2
93.07027	68.3
94.06554	1.7
95.04956	8.6
95.08593	14.9
96.96835	0.9
97.02868	1.6
97.06512	11.4
97.10137	1.2
99.04408	2.6
99.08068	1.8
102.94828	2.3
103.00613	1.1
103.05428	2.5
104.05745	1.4
105.07012	15.2
106.04150	2.4
107.04937	8.4
107.06070	1.3
107.08577	53.4
108.08895	1.2
109.02868	4.6
109.06496	18.4
109.10133	3.6
111.04466	5.4
111.08072	10.5
115.03931	1.0
118.94322	1.5
119.04824	1.0
119.08551	2.5
120.08094	2.1
121.01660	6.3
121.02819	2.0
121.06499	11.1
121.08421	13.4
121.10121	100.0
122.05991	1.7
122.10465	2.1
123.04411	9.2
123.08055	12.4
123.11699	5.7
124.05158	3.9
125.05980	13.2
125.09595	8.2
125.96386	1.5
126.05515	1.2
126.97155	1.5
127.03921	1.8
131.08534	14.6
135.04396	1.6
137.09583	1.6
139.02626	2.9
139.07544	8.9
139.08519	1.9
139.09546	1.0
139.11180	12.3
140.95093	3.6
143.03407	1.1
143.96608	1.7
144.03214	5.6
144.98199	1.2
149.02306	8.1
149.05959	5.5
149.07030	1.2
149.09586	39.9
149.13213	2.6
150.05446	3.8
150.09976	1.4
151.03882	1.1
152.04649	1.5
152.06201	2.6
162.04260	2.2
165.06985	1.9
167.03346	3.8
167.05612	1.1
167.07005	48.4
167.08466	9.8
167.10645	89.1
167.14256	6.1
168.06456	2.0
168.08026	1.6
168.11124	2.0
168.13811	2.3
179.63031	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1065
Annotation	(E)-Lyratic acid
Peak:m/z	Relative Intensity
53.03936	2.2
55.01867	2.1
55.05256	0.8
55.05504	13.8
56.39427	0.5
57.03433	1.2
57.07068	1.3
59.04989	3.0
65.03922	1.1
67.05498	6.0
67.93566	1.8
69.03419	3.5
69.07059	33.3
69.43359	3.3
69.43790	2.0
70.06567	0.5
71.04983	0.7
71.08623	0.9
72.32742	0.6
77.03902	0.6
79.05482	15.4
80.05047	0.7
81.03400	1.8
81.07046	14.1
83.04971	4.3
83.08614	4.8
84.93024	0.5
84.96035	1.7
85.02893	0.9
85.06523	0.7
85.94604	0.7
91.05469	10.9
93.03362	0.7
93.07030	70.7
94.07373	2.0
95.04951	4.1
95.05449	0.5
95.08594	12.0
97.02888	0.8
97.06509	6.7
97.10163	1.5
98.06038	1.8
98.09664	1.2
99.08067	0.6
100.11246	1.7
102.94849	1.6
103.05463	1.6
103.95600	0.6
104.05798	0.6
105.03361	0.9
105.07021	16.1
106.07832	0.9
107.04935	1.6
107.08572	9.0
109.02856	1.9
109.06532	3.0
109.10137	1.5
111.04428	1.5
111.08077	1.5
111.11719	7.9
113.96413	0.8
118.94321	0.5
119.08562	3.8
121.01669	4.1
121.06485	2.2
121.08389	2.9
121.10127	100.0
121.99342	0.7
122.06030	0.9
122.10442	3.1
123.04423	2.1
123.08083	5.5
123.11710	1.5
124.05199	0.9
125.05979	1.1
125.09609	1.5
125.96413	1.3
126.09122	0.8
127.03965	0.8
131.08534	1.6
133.07625	1.5
139.02699	1.7
139.07547	2.8
139.11157	4.5
140.95084	1.3
142.96666	1.1
143.96570	2.6
144.03223	3.0
144.98271	1.3
145.00931	0.8
149.02335	2.4
149.05981	0.7
149.09605	15.6
149.13266	1.5
150.05452	0.9
150.10017	1.0
162.04323	1.3
163.01907	0.6
163.03906	1.6
164.04137	1.1
167.03400	2.0
167.07007	7.9
167.08424	1.5
167.10651	48.8
167.14343	2.2
167.99992	0.7
168.06529	1.5
168.10988	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0701
Annotation	2,5-Dihydroxy-4-methylacetophenone
Peak:m/z	Relative Intensity
53.03928	1.3
55.01862	1.4
55.05495	2.0
57.03430	4.1
57.07063	1.9
58.06087	0.5
59.04995	0.8
59.36913	0.5
67.05501	2.9
68.99785	3.5
69.03420	1.5
69.07065	3.3
69.96658	1.1
69.97073	2.5
71.04974	1.0
77.03881	0.6
78.04728	1.1
79.05481	8.6
81.03374	0.7
81.07047	5.9
83.04966	3.5
83.08628	0.8
91.05459	5.1
93.07036	13.2
95.04954	3.7
95.08582	2.2
97.02861	0.7
97.06517	6.0
97.07633	0.6
103.05443	2.7
105.07006	2.6
105.16174	0.6
107.04947	10.7
107.08584	9.2
109.06519	4.0
110.03662	1.8
111.04440	2.9
111.08035	1.4
120.08118	0.9
121.01649	2.4
121.02902	3.4
121.06490	35.6
121.08382	4.8
121.10130	11.1
122.05970	0.9
122.06862	1.0
123.04431	2.7
123.08027	2.8
123.11670	1.2
124.05202	2.5
125.05976	100.0
125.09612	2.5
126.05494	0.8
126.06327	2.1
131.08562	0.8
139.07526	3.2
139.11142	1.4
144.03247	2.4
149.02339	2.2
149.04749	1.2
149.05968	21.5
149.07059	1.0
149.09561	4.5
150.05444	0.6
152.06181	0.7
167.03397	14.7
167.07022	68.3
167.10643	5.8
167.14305	1.1
168.07506	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0701
Annotation	ISOPEONOL
Peak:m/z	Relative Intensity
52.56394	0.5
53.03950	1.2
55.01846	1.2
55.05493	0.7
57.03435	1.1
67.05503	1.0
68.99776	5.2
69.03419	0.9
69.07075	1.0
69.36125	4.0
69.36553	1.5
70.06599	0.5
73.85902	0.5
77.03911	0.6
79.05482	5.9
81.03438	1.1
81.07047	6.8
81.41886	0.5
83.04969	1.2
87.45926	0.5
91.05469	5.3
93.07029	8.6
94.39920	0.5
95.04969	2.8
95.08604	1.4
97.06519	1.7
103.05450	3.8
105.07024	1.7
107.04938	3.6
107.08579	8.9
109.02892	0.7
109.06516	2.1
109.10128	1.0
111.04424	1.1
121.01605	0.6
121.06489	35.7
121.08382	1.7
121.10115	4.4
123.08026	1.4
124.05202	0.7
125.05973	22.2
125.09622	0.7
128.71181	0.5
131.04875	0.8
131.08543	1.6
137.09612	1.7
139.02707	0.7
144.03209	0.9
148.06473	0.5
149.05960	100.0
149.09517	3.1
149.13210	1.2
150.06326	3.3
167.03345	1.7
167.07018	97.5
167.10638	3.0
168.07359	2.1
176.70940	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	166.0861
Annotation	DL-Phenylalanine
Peak:m/z	Relative Intensity
62.05779	0.1
62.11764	0.1
63.16179	0.1
67.05488	0.1
69.03426	0.2
70.03754	0.3
70.06609	0.1
70.74223	0.5
77.03887	0.1
78.79373	0.1
79.05482	0.9
80.04956	0.1
83.93042	0.3
84.08125	0.1
91.05432	0.8
93.07028	2.0
94.06551	0.1
95.04932	0.1
98.64303	0.1
103.05453	7.7
104.05798	0.3
105.07029	0.2
107.04946	2.0
112.48443	0.1
120.08089	100.0
121.06574	0.3
121.08431	2.7
131.04912	2.8
142.96695	1.0
148.04779	0.1
149.02335	0.1
149.05966	0.9
166.05016	0.5
166.08626	3.2
166.09914	0.2
167.07082	0.3
167.10567	0.2
189.34984	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	165.1272
Annotation	Jasmone
Peak:m/z	Relative Intensity
53.03922	3.4
55.01871	6.7
55.05507	12.4
56.04997	0.8
56.96544	1.3
57.03175	1.4
57.03425	15.9
57.07057	2.3
59.04976	1.7
61.02921	9.1
62.07245	0.8
65.03911	2.9
67.05491	20.9
69.03416	60.2
69.07052	7.4
71.04987	6.5
71.62994	1.4
73.02879	3.6
76.08112	1.0
79.05044	1.6
79.05476	21.4
80.05000	0.9
81.03397	8.5
81.07040	55.5
82.07360	0.9
83.04967	26.4
83.08607	2.1
83.93015	3.4
85.02419	1.3
85.02894	21.4
85.06526	2.2
87.04440	3.3
91.05463	26.1
93.07029	23.2
94.07349	1.3
95.04947	14.7
95.08590	34.9
96.08894	1.5
97.06502	4.5
99.04416	5.8
100.02447	1.5
101.00866	1.9
101.02503	1.4
101.94020	1.8
103.03915	4.0
103.05435	4.5
105.07011	41.9
106.07282	1.4
107.04935	4.1
107.08572	44.2
108.04488	1.8
108.08892	1.3
109.06499	24.4
109.10136	13.5
111.04424	10.4
117.06970	1.9
118.03442	2.1
119.01900	35.6
119.03636	1.8
119.04914	21.4
119.08556	36.2
119.95088	2.0
120.01969	2.1
120.03194	1.5
120.05238	1.5
120.08089	43.0
120.08887	1.6
121.06473	3.2
121.10117	24.4
122.07246	3.9
123.04395	4.2
123.08046	27.3
123.11652	8.0
124.02371	1.8
127.07532	5.1
129.05420	7.6
131.04936	1.6
133.02846	3.6
135.08025	2.0
136.07507	1.6
137.02956	17.4
137.05952	4.9
137.09589	54.1
137.13217	4.3
138.03072	1.4
138.05440	2.2
138.09932	1.4
139.03462	1.0
140.55742	1.0
142.03488	31.4
142.96671	16.4
143.03568	2.3
147.04384	49.6
147.06447	3.3
147.08003	6.1
147.11665	41.5
148.02107	3.9
148.03802	1.3
148.04837	1.6
148.11951	1.6
150.10440	1.7
160.04521	14.2
161.04636	1.2
165.01781	3.6
165.05365	10.2
165.06964	8.0
165.09070	15.8
165.12718	100.0
165.98311	1.1
166.03520	0.9
166.04886	4.7
166.08669	8.2
166.13066	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	165.1273
Annotation	Jasmone
Peak:m/z	Relative Intensity
53.03930	3.2
55.01868	7.6
55.05501	17.6
56.06287	0.9
57.03427	31.1
57.07060	3.6
59.04992	4.4
61.02919	15.6
63.66395	0.8
63.75309	0.8
65.03917	3.0
67.05495	27.6
69.03421	100.0
69.07056	9.7
70.03753	2.1
70.56752	3.8
71.04987	9.9
73.02911	8.4
79.05485	13.1
80.94940	1.1
81.03404	17.1
81.07047	25.9
83.04974	35.7
83.08606	2.1
83.93016	1.3
85.02895	35.7
86.03231	1.2
87.04457	4.7
91.03946	3.3
91.05466	29.3
92.05820	1.8
93.07032	10.5
95.04346	2.0
95.04956	40.1
95.08594	24.0
95.09216	1.0
96.05250	1.1
97.06517	2.3
99.04440	11.1
101.00887	2.6
103.03931	8.6
103.05428	2.8
105.04530	1.0
105.07016	19.6
107.04941	5.3
107.08582	40.2
107.66505	0.9
108.08885	1.4
109.06501	24.2
109.10136	7.8
110.07285	1.2
111.04434	19.3
117.06992	2.8
119.01899	20.4
119.04927	26.4
119.08566	36.1
120.01968	1.0
120.08094	35.3
120.08860	1.9
121.06509	3.3
121.10112	12.2
123.04388	2.5
123.08048	29.7
123.11696	24.8
129.05467	12.9
129.06978	1.2
132.05698	2.8
133.02792	5.0
135.08067	1.2
135.11671	1.0
137.02965	8.1
137.05951	4.5
137.09610	9.5
137.12350	1.5
137.13220	5.9
141.09137	1.0
142.03488	16.2
142.96651	3.1
147.04396	53.0
147.06483	5.6
147.08020	20.3
147.11665	13.8
148.04735	1.6
160.04552	7.8
165.01828	3.4
165.05658	4.6
165.07674	1.8
165.09081	16.9
165.12737	83.2
166.04892	2.2
166.08624	3.4
166.13078	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	165.0544
Annotation	4-Coumaric acid
Peak:m/z	Relative Intensity
51.02368	0.3
53.03928	0.7
55.01863	1.7
55.05501	3.1
56.81547	0.2
57.03426	7.1
59.04970	0.3
61.02914	4.3
65.03921	1.4
65.79284	0.2
67.05488	2.1
69.03416	27.5
71.01326	0.3
71.04980	1.8
71.63425	0.4
72.93761	0.2
73.02908	2.3
75.04471	0.3
79.05488	0.6
79.84409	0.2
81.03396	3.1
81.07044	2.4
82.30757	0.2
83.04969	9.4
83.70784	0.2
83.93040	0.5
85.02887	10.5
87.04452	1.4
91.03941	0.9
91.05466	16.4
92.05768	0.4
93.06999	0.3
95.04957	3.0
95.08601	2.2
99.04450	2.7
101.00869	0.9
103.03939	2.1
103.05413	0.3
105.02459	0.2
105.07040	0.6
107.08501	0.3
109.06511	0.7
109.10120	1.4
111.04420	5.0
113.96339	0.2
119.01912	6.1
119.04922	39.8
119.08542	1.0
119.95123	0.4
120.01975	0.3
120.05218	1.2
120.08103	1.5
121.06509	0.3
123.04414	1.0
123.08054	0.4
123.11678	0.4
124.02452	0.3
129.05458	4.0
137.02962	2.7
137.05977	0.5
137.09579	1.0
142.03473	5.7
142.96678	3.1
147.04384	100.0
148.04716	2.5
160.04530	2.7
163.28922	0.2
165.01822	0.5
165.05475	3.1
165.07675	0.5
165.09087	1.2
165.11516	0.2
165.12743	1.4
165.98300	0.8
166.04971	0.3
166.08649	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0545
Annotation	4-Coumaric acid
Peak:m/z	Relative Intensity
50.75296	0.3
51.02376	0.3
51.80190	0.2
53.03942	0.4
54.93713	0.2
55.01857	1.0
55.05504	3.1
57.03428	3.6
58.28778	0.2
59.04996	0.4
60.18968	0.2
61.02920	2.2
65.03929	1.2
67.05495	3.7
69.03419	13.3
69.07053	0.6
69.55445	1.6
71.04988	1.1
73.02897	1.0
76.16100	0.2
79.05479	1.7
81.03402	2.9
81.07044	2.7
83.04970	4.4
85.02891	4.4
87.04462	0.6
91.03939	0.5
91.05467	19.8
92.05791	0.5
93.07030	2.0
95.04956	2.7
95.08583	2.2
97.06509	0.2
99.04445	1.4
100.02462	0.3
101.00869	1.0
101.02635	0.2
103.03934	1.2
103.05457	0.8
105.03356	0.3
105.07024	2.4
107.04957	0.6
107.08581	3.0
109.06519	1.7
109.10130	3.1
111.04429	2.3
117.07036	0.3
119.01919	6.9
119.04924	40.7
119.08558	3.3
120.02036	0.3
120.05238	1.1
120.08090	4.8
121.06500	0.4
121.10128	1.3
123.04410	1.5
123.08056	1.8
123.11689	0.7
124.02428	0.4
129.05461	1.4
133.02824	0.5
137.02930	2.7
137.05949	1.0
137.09593	6.3
142.03477	6.5
142.96700	0.7
143.03566	0.3
147.04387	100.0
147.11661	2.0
148.03773	0.3
148.04747	2.6
160.04532	2.5
165.01860	0.5
165.05482	3.2
165.07738	0.4
165.09081	3.3
165.10350	0.4
165.12720	3.8
166.05017	0.4
166.08604	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0545
Annotation	4-Coumaric acid
Peak:m/z	Relative Intensity
53.03928	0.3
55.01860	0.6
55.05504	0.9
57.03426	1.9
61.02912	0.8
61.15678	0.2
65.03931	0.8
67.05490	0.7
69.03421	6.1
69.07053	0.2
69.81551	1.2
71.04982	0.7
73.02899	0.6
79.05473	0.4
81.03416	1.1
81.07030	0.8
83.04979	2.0
85.02883	1.9
91.05468	17.6
92.05792	0.2
93.07042	0.5
95.04975	1.8
95.08592	0.7
99.04443	0.6
101.00871	0.8
103.03910	0.4
103.05452	0.5
105.07041	0.9
107.04946	0.4
107.08569	0.3
109.06481	0.5
109.10127	0.8
110.52170	0.2
111.04448	1.0
117.06947	0.2
119.01918	3.4
119.04928	38.6
119.08560	3.1
120.05251	1.0
120.08083	2.7
121.06474	0.3
121.10146	0.2
123.04413	2.6
123.08052	1.8
125.11112	0.2
129.05449	0.8
133.02805	0.2
135.88058	0.2
137.02956	1.7
137.05945	0.5
137.09576	0.9
142.03484	3.5
142.96680	0.5
147.04390	100.0
148.04720	2.9
160.04530	1.6
165.01781	0.3
165.05478	3.1
165.09096	2.4
165.12781	0.6
176.02516	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0508
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96556	1.9
57.03405	0.4
57.05367	0.3
59.05507	0.4
60.66621	0.3
61.02908	0.9
65.92622	0.7
69.79472	2.0
70.06561	0.6
80.94955	1.1
82.01437	0.9
82.99842	1.4
83.04967	0.4
85.02903	0.4
88.69991	0.5
89.00826	0.4
91.05469	2.6
91.50679	0.4
92.52707	0.4
95.04951	10.3
98.21415	0.5
100.02476	2.0
101.00861	24.1
102.00967	1.2
118.03500	1.1
119.01900	100.0
119.04900	9.2
120.01976	4.5
120.08084	1.0
121.02308	0.5
121.97539	0.7
123.04408	19.8
124.02424	4.7
124.04689	0.6
124.93904	1.0
133.03346	0.8
137.02933	30.6
138.03017	1.4
142.03476	80.4
142.94934	0.4
143.03601	3.8
147.04366	4.2
158.08133	0.4
160.04533	25.9
160.96008	1.3
161.04689	1.2
165.05095	2.4
166.07283	0.5
183.06010	0.6
183.97545	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0506
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30288	0.4
56.25266	0.4
63.69655	0.4
71.12859	0.4
71.13216	0.8
82.99842	1.3
100.02464	1.4
100.35938	0.4
101.00858	21.9
102.00957	1.1
118.03464	0.4
119.01897	100.0
120.01966	6.1
121.02384	0.5
124.02428	5.1
130.35420	0.4
137.02925	31.1
138.03020	1.9
142.03470	93.2
143.03584	6.3
160.04526	31.6
161.04623	1.6
161.20476	0.4
165.05077	2.2
183.06038	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0508
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31448	0.4
54.97664	0.4
57.75038	0.3
63.26170	0.3
65.92625	0.4
68.62111	0.4
69.03412	1.7
70.36990	1.8
73.02911	0.6
76.87902	0.4
80.94948	0.7
82.01411	0.5
82.99839	1.5
83.04966	0.5
84.08118	0.5
91.05493	0.6
100.02463	1.4
101.00865	25.2
101.02573	0.6
102.00928	0.7
103.05441	0.5
106.11152	0.4
118.03512	0.6
119.01905	100.0
119.04894	1.3
120.01994	4.0
120.08084	3.4
121.97502	0.5
123.04440	0.7
124.02430	5.4
124.93886	0.8
137.02936	34.5
138.03044	1.2
142.03481	91.5
143.03603	4.3
145.72679	0.4
147.04379	1.8
160.04536	33.2
161.04720	0.9
165.05124	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	165.0507
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05028	3.9
56.96548	0.7
57.03421	0.9
57.05355	2.0
58.99857	0.6
61.02917	0.7
69.03424	1.2
70.60264	0.4
71.61517	0.7
74.02433	1.8
74.06071	1.5
75.02764	0.7
75.06399	0.6
77.00908	0.5
78.95617	0.8
79.73521	0.4
80.94911	0.5
82.01429	0.4
82.99831	1.4
83.01521	0.4
83.05002	0.5
84.04505	0.4
85.02868	0.5
85.04840	0.5
85.49734	0.4
91.05468	0.9
95.04956	2.1
100.02466	1.8
101.00864	20.3
101.02545	1.5
102.00960	0.7
102.05529	5.0
103.05881	4.9
114.53051	0.4
115.54740	0.4
118.03499	1.1
119.01903	100.0
119.04823	1.9
120.01980	3.9
120.08086	5.7
121.02362	0.7
123.04424	4.2
123.53559	0.5
124.02426	5.0
124.86163	0.4
132.54156	0.4
133.03419	0.7
137.02936	35.7
138.03033	1.3
142.03479	80.5
143.03587	3.3
147.04384	0.7
160.04535	28.9
160.31580	0.5
161.04701	1.2
165.05116	3.1
167.63884	0.4
183.06117	0.9
183.97691	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	164.0737
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74455	0.3
53.25911	0.3
55.13383	0.3
56.05027	62.2
56.44376	0.3
56.96553	1.9
57.03428	0.9
57.05367	0.7
58.35982	0.3
60.04522	0.4
61.01126	0.4
61.02916	1.8
61.16585	0.3
63.02699	1.0
63.92933	0.7
69.03417	0.7
70.06586	0.7
70.15170	1.7
71.04977	0.3
73.02926	0.6
73.77368	0.3
74.02430	18.7
74.06068	24.7
77.10469	0.3
78.95262	1.5
82.01425	0.8
82.99787	0.3
84.04492	8.6
85.02900	3.0
86.06051	1.0
87.04440	1.1
95.04941	0.6
98.01259	0.6
98.97588	0.5
100.02464	5.6
101.00865	3.8
101.99725	0.3
102.00513	0.3
102.05524	100.0
103.05870	1.4
104.07071	0.7
111.00230	0.6
112.06099	0.3
113.53186	0.4
114.04003	0.4
116.98621	0.4
118.03516	4.3
118.06802	0.5
119.01902	18.5
119.04919	0.7
119.97867	1.3
122.94173	0.9
123.04379	1.1
124.02415	0.9
128.07062	1.4
131.01848	0.3
133.03191	0.5
137.02934	7.2
140.95236	0.7
142.03482	14.1
142.04594	0.8
146.08083	1.1
147.04428	1.2
158.96265	1.3
160.04524	5.7
160.97519	0.4
164.07375	1.7
173.09959	0.3
173.85094	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	164.074
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05028	58.9
57.05364	0.7
62.58214	0.5
63.02694	1.2
68.90118	0.5
69.54027	0.5
69.54357	3.1
69.54776	1.6
74.02430	20.8
74.06069	23.2
77.98179	0.5
78.09222	0.6
84.04485	8.0
85.02886	2.5
91.20202	0.5
100.02477	2.2
101.00868	2.8
102.05526	100.0
103.05869	1.7
112.03081	0.6
118.03510	1.4
119.01909	13.9
124.02406	0.8
130.49968	0.5
131.54266	1.0
137.02936	4.2
140.54738	1.0
142.03477	12.4
146.73227	0.5
153.96011	0.6
155.27309	0.5
160.04572	3.3
164.07365	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	164.0737
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.3
56.05025	56.5
56.96556	0.9
57.03419	0.6
57.05356	1.0
60.04511	0.8
61.01139	0.6
61.02908	1.0
63.02703	1.5
63.92933	0.6
69.03407	1.1
69.68058	2.6
70.06585	3.8
70.67126	0.3
73.02914	0.8
74.02428	19.3
74.06067	25.6
75.02757	0.4
77.00887	0.4
78.95271	1.3
79.09295	0.3
82.01419	1.4
82.99832	0.5
84.04492	8.1
85.02887	2.7
86.06074	0.9
87.04446	2.4
91.05492	0.6
93.53442	0.8
95.04970	1.8
98.97561	0.4
100.02473	8.2
100.07597	0.5
101.00848	3.3
101.02561	0.3
102.05524	100.0
103.05863	1.1
104.07050	0.4
105.35966	0.4
111.02927	0.5
113.53181	0.7
116.07066	1.3
118.03506	7.0
118.06879	2.2
119.01902	16.4
119.04929	1.3
119.97852	0.7
122.53679	0.7
123.04424	3.8
124.02422	1.0
128.07045	2.0
131.54182	1.3
133.03186	2.2
136.10426	0.4
137.01923	0.6
137.02928	6.5
140.54744	0.7
141.02792	0.5
141.05009	0.4
142.02406	0.7
142.03476	13.0
146.08067	1.5
147.04375	1.2
158.96275	0.6
160.04547	4.7
161.24341	0.4
164.07291	1.9
164.09004	0.7
165.05225	0.9
171.21449	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1116
Annotation	Lamoxirene
Peak:m/z	Relative Intensity
50.44497	0.3
51.02374	0.3
53.03937	1.5
53.19981	0.2
55.01852	0.8
55.05505	1.7
56.05039	0.3
56.96572	0.4
57.03410	0.4
57.06863	0.2
57.07064	2.1
61.02902	0.6
65.03908	0.5
67.05489	1.4
69.03417	1.9
69.07061	1.8
70.40940	0.9
71.04984	0.6
72.08134	0.3
72.80580	0.2
73.02874	0.3
77.03928	0.4
79.05478	6.2
81.03380	0.5
81.07041	2.5
83.04974	0.6
84.08121	0.4
85.02888	1.2
85.06519	0.4
89.03903	3.4
89.06024	1.3
91.05464	5.3
92.02621	0.4
93.03369	0.2
93.05753	0.2
93.07027	6.0
95.04949	4.0
95.08588	1.0
97.02854	0.3
98.97585	0.3
99.04444	0.8
100.02459	1.4
101.02364	0.2
103.04002	0.6
103.05447	9.7
104.05755	0.3
105.03361	0.8
105.04475	0.7
105.07009	3.9
106.06550	0.6
107.04936	7.8
107.08572	5.2
108.08078	0.7
109.06477	0.4
115.05434	0.7
116.98614	0.3
117.03360	2.5
117.05528	0.3
117.06983	3.3
118.03494	0.8
118.06473	0.3
118.90904	0.2
119.01804	0.5
119.04910	0.4
119.08557	1.9
121.06489	2.9
121.10123	3.3
121.95733	0.4
122.05976	0.3
126.05509	0.4
127.03893	0.6
130.06505	0.9
130.07762	0.9
131.04904	11.4
132.05264	0.3
132.08058	1.4
133.02829	3.0
133.06482	1.4
133.07394	0.3
135.04399	8.8
135.08034	2.5
135.11659	2.9
136.07553	20.2
140.07031	0.9
141.05089	0.3
143.08537	0.5
145.02812	2.4
145.03876	0.4
145.06468	0.9
145.10100	8.7
146.10402	0.3
147.08029	2.0
148.08809	9.0
149.09145	0.4
163.03880	25.4
163.07526	5.3
163.11147	100.0
163.14729	2.1
164.04253	1.0
164.07025	5.1
164.08336	0.3
164.11520	3.1
177.00653	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1115
Annotation	Lamoxirene
Peak:m/z	Relative Intensity
51.36243	0.4
53.03934	2.5
55.01862	2.3
55.05504	4.5
57.03426	1.1
57.07059	3.1
59.04988	0.4
61.02910	0.8
63.02370	0.4
65.03920	0.8
67.05494	1.9
69.03420	5.5
69.07064	2.6
69.97758	0.7
69.98057	2.5
71.04972	0.9
72.08132	1.1
72.74080	0.4
73.02883	0.6
76.68290	0.4
77.03916	1.0
79.05481	14.3
81.03390	0.8
81.07047	2.8
83.04990	1.1
83.08571	0.7
84.08122	1.0
85.02901	2.1
89.03889	3.6
89.06026	1.3
91.05466	23.8
92.02612	0.6
92.05817	0.5
93.03382	0.8
93.07028	39.9
94.07346	0.8
95.04945	7.4
95.08608	1.4
97.02861	0.7
99.04445	1.0
100.02468	1.1
103.05449	16.8
105.03374	1.0
105.04496	1.1
105.07011	13.7
106.06509	0.5
106.07859	0.6
107.04938	10.9
107.08575	83.5
108.08901	2.5
109.06508	3.8
115.05433	3.3
116.59115	0.4
117.03362	2.3
117.05663	0.9
117.06997	13.4
118.03539	0.8
118.07353	0.8
119.04910	0.8
119.06031	1.5
119.08550	11.3
120.08116	0.6
120.09327	2.0
121.06509	3.3
121.09241	1.2
121.10111	14.7
121.95729	0.6
123.08001	0.9
124.05202	0.4
127.03906	0.6
128.06300	0.4
130.06543	0.7
130.07751	1.3
131.04906	22.7
132.08066	2.1
133.02806	3.7
133.10098	0.8
135.04405	10.3
135.08049	7.9
135.11664	100.0
136.07556	0.7
136.12029	2.5
137.09604	0.6
143.08537	1.0
145.02808	2.5
145.03894	0.9
145.05109	0.9
145.06458	11.2
145.10098	8.8
147.09161	0.6
162.01483	0.4
163.03876	33.4
163.07506	16.5
163.08566	0.9
163.11147	23.6
163.12280	1.4
163.14780	1.6
164.04295	0.7
164.07047	1.6
164.11493	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1115
Annotation	Lamoxirene
Peak:m/z	Relative Intensity
51.02384	0.7
53.03941	6.0
55.01861	6.6
55.05506	8.6
56.96544	1.9
57.03431	3.3
57.07060	6.3
61.02888	1.1
65.03935	0.9
67.05491	3.4
69.03069	0.8
69.03419	12.7
69.07066	4.1
69.49948	3.9
69.50371	2.3
71.04974	3.6
72.08138	2.0
72.93767	1.2
73.02904	1.5
73.06535	1.0
75.03625	0.7
77.03853	1.2
79.05052	1.4
79.05479	20.1
80.93082	1.0
81.03395	2.8
81.07037	12.3
83.01327	1.2
83.04955	2.8
83.08600	2.1
84.08133	1.6
85.02885	6.1
89.03902	10.0
89.06019	4.8
91.05460	16.0
92.02587	1.6
93.07025	43.4
94.07341	1.1
95.04958	11.5
95.08574	3.5
97.02847	1.2
97.06483	1.1
98.97563	1.9
99.04431	2.4
100.02448	5.9
101.09624	1.3
103.03934	1.6
103.05445	18.4
105.03380	4.0
105.04488	2.2
105.07011	33.0
106.06532	2.6
106.07262	0.7
107.04938	9.9
107.08576	46.0
108.08148	1.0
108.08865	1.6
109.06500	3.0
115.03867	0.9
115.05424	1.7
116.98605	1.2
117.03365	7.5
117.05622	2.1
117.07001	9.7
118.03470	4.5
119.01814	1.5
119.04903	1.8
119.06054	0.9
119.08554	13.3
119.97872	0.9
120.08081	2.1
121.06485	9.1
121.10123	15.7
121.94618	0.7
121.95707	1.8
127.03893	1.4
128.02274	1.1
129.07001	0.9
130.06554	5.2
130.07710	5.1
130.52541	0.8
131.04900	21.8
132.08078	7.5
133.02827	12.7
133.06503	1.4
133.07509	0.8
133.10146	1.0
134.99622	0.9
135.04393	32.9
135.08035	6.5
135.08989	1.0
135.11668	14.5
136.04784	0.8
136.07558	1.8
139.53093	0.9
139.96727	1.6
141.05061	1.0
143.08522	1.6
145.02840	7.9
145.03876	1.3
145.06461	3.4
145.10094	31.7
146.10452	1.2
147.07999	1.3
148.08813	1.2
158.99617	1.2
163.03873	100.0
163.04965	3.6
163.07491	12.0
163.08693	6.5
163.11142	85.4
163.12285	5.7
163.14774	5.6
164.03143	1.2
164.04242	2.8
164.06993	3.7
164.11510	2.2
168.48630	0.7
177.00667	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0752
Annotation	Methyl cinnamate
Peak:m/z	Relative Intensity
53.03940	3.8
55.05497	0.8
57.07052	0.6
68.54591	0.4
69.03399	0.6
69.36253	1.6
69.36685	2.1
72.93779	2.5
77.03912	0.7
79.05482	4.2
81.03410	0.7
81.04523	0.5
81.07035	0.5
89.03926	0.5
89.06026	0.7
90.94803	0.5
91.05465	1.1
92.02614	1.4
93.07004	1.1
95.04951	7.3
103.05450	78.5
104.05817	2.1
105.03383	3.2
105.04501	1.7
106.06517	0.7
107.04946	1.7
107.08568	1.3
113.96382	2.0
117.03342	0.4
117.05602	0.4
117.07016	0.7
120.08069	0.4
121.10130	1.1
130.06470	1.3
131.04907	100.0
131.97420	3.2
132.05215	3.1
132.08069	2.0
133.02827	13.3
135.04395	15.5
136.04782	0.6
140.97241	0.6
145.06485	0.9
154.98964	1.2
163.03877	63.4
163.07497	14.4
163.08539	0.8
163.09818	0.7
163.11034	2.4
163.12300	3.2
163.14799	0.9
164.04317	2.7
164.06903	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0963
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88852	0.4
51.74561	0.4
52.10801	0.4
53.03942	2.7
55.01864	2.4
55.05503	3.3
56.96539	0.7
57.03429	6.8
57.07063	4.8
59.04984	1.0
61.01125	1.6
61.02905	2.0
62.92998	0.4
63.02348	0.8
63.92906	0.6
65.03918	1.4
67.05471	1.6
69.03419	5.8
69.07041	1.2
71.01343	0.9
71.04971	3.7
71.05411	0.9
71.08340	0.4
71.08623	4.0
72.08150	3.5
73.02903	2.2
75.02682	0.8
75.04466	0.5
77.03915	0.7
78.95259	1.4
79.05482	12.3
80.93092	0.9
81.03413	2.8
81.07046	17.0
83.01325	0.9
83.04958	2.3
83.08594	1.5
84.08116	2.2
85.02892	6.9
85.06532	2.4
85.73447	0.4
87.04454	0.9
89.03903	20.5
89.06020	3.4
90.04238	0.6
91.05461	7.0
92.02592	0.8
93.03381	1.6
93.07032	4.0
95.04948	5.3
95.08611	1.0
95.22521	0.4
97.02907	2.2
98.97572	0.6
99.04433	4.3
99.05506	0.4
99.07468	0.7
99.08085	10.7
100.02464	2.0
101.02374	0.8
101.09686	0.5
102.05516	0.7
103.03941	1.7
103.05454	18.7
104.05791	0.6
105.03367	1.8
105.04492	1.4
105.07016	3.2
106.06529	1.5
107.04944	17.0
107.06994	0.7
107.08582	5.9
108.05255	0.4
109.02857	0.6
109.05772	0.9
109.06503	16.4
109.10081	0.7
109.52853	0.4
110.06806	0.5
115.03909	0.5
115.05406	1.1
117.03371	18.2
117.05491	3.0
117.06993	5.2
117.09116	10.9
118.03543	2.1
118.06480	0.5
119.01849	0.4
119.04935	3.7
119.08543	1.7
119.97859	1.1
121.02856	0.7
121.06467	3.2
121.10105	2.8
121.95809	0.5
121.96603	2.1
122.94170	0.9
123.08027	1.1
127.03899	2.2
127.07543	8.1
128.10693	0.4
130.06529	2.9
130.07765	0.9
131.04910	24.1
132.05270	0.7
132.08052	4.1
133.02844	7.3
135.04398	48.8
135.08018	6.2
135.11681	1.6
136.04768	1.3
136.07516	1.0
139.01817	1.1
140.95253	0.8
145.02831	19.0
145.03853	0.9
145.04761	0.8
145.06461	3.5
145.10109	3.3
146.03210	0.6
146.05974	0.7
147.04381	0.5
147.08054	0.6
158.96262	1.0
163.03882	100.0
163.07491	11.9
163.08665	1.6
163.11136	7.0
163.12323	3.9
163.14796	1.4
164.04422	3.7
164.06973	2.1
164.10579	0.6
181.02821	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	163.0751
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01596	0.2
51.02380	0.4
53.03936	2.2
53.68893	0.2
55.01855	0.3
55.05506	0.5
56.96555	0.5
57.03405	0.3
57.07058	0.9
58.73396	0.2
61.02901	0.6
62.22815	0.2
68.90302	0.3
69.03401	0.4
70.05418	0.9
70.05821	0.5
71.04987	0.3
73.02883	0.2
77.03903	0.8
79.05482	2.6
81.03391	0.7
81.07033	0.3
84.08133	0.3
85.02897	0.5
89.03888	0.7
89.06013	0.5
91.05473	1.2
92.02590	1.1
93.07028	0.8
95.04951	5.1
95.08630	0.4
98.97570	0.3
100.02458	1.4
100.03487	0.3
102.04642	0.4
103.05450	73.8
104.05773	2.3
105.03391	1.6
105.04462	1.3
105.07026	0.5
106.06533	0.3
106.44438	0.2
107.04951	1.3
107.08591	1.2
112.70151	0.2
117.03354	0.6
117.04118	0.2
117.05669	0.2
117.07011	0.6
118.03517	0.6
119.01778	0.6
119.04916	0.4
119.08540	0.4
120.05730	0.2
120.77627	0.2
121.06481	0.6
121.10107	0.6
130.06482	0.7
131.04904	100.0
132.05244	3.6
132.08057	0.9
133.02831	8.6
135.03366	0.6
135.04391	9.6
135.08034	0.5
135.11633	0.3
136.04774	0.4
136.07567	0.3
138.03085	0.5
145.02827	0.7
145.06477	0.5
145.10127	0.6
163.03879	43.7
163.07513	14.7
163.08533	0.5
163.11140	3.3
163.12311	1.1
163.14827	0.6
164.04306	1.5
164.06842	0.4
164.08018	0.4
177.00682	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0752
Annotation	Methyl cinnamate
Peak:m/z	Relative Intensity
51.02367	0.6
53.03929	1.3
55.01852	0.9
55.05494	1.8
56.05023	0.3
56.96550	0.6
57.03423	2.0
57.07061	2.1
59.04993	0.3
59.46172	0.3
61.01138	0.4
61.02912	1.1
62.01600	0.3
62.92988	0.3
63.02354	0.3
63.92926	0.3
65.03928	1.2
67.05489	1.3
69.03413	3.2
69.07051	1.1
69.79686	0.6
69.80095	0.8
70.06596	0.3
71.01330	0.4
71.04977	1.3
71.08618	0.9
72.08146	2.1
73.02897	1.0
73.06534	0.5
74.02432	0.3
74.06061	0.3
75.04452	0.3
77.03474	0.2
77.03917	0.6
78.39072	0.2
78.95260	0.7
79.05044	0.5
79.05480	5.5
80.04995	0.4
80.93099	0.4
81.03400	1.0
81.07041	3.6
83.01335	0.7
83.04950	1.3
83.08595	0.4
84.08119	1.0
85.02885	3.8
85.06525	0.4
87.04424	0.4
89.03902	11.0
89.06014	1.6
91.05465	3.3
91.52597	0.3
92.02585	0.3
93.03392	3.3
93.07008	1.8
94.65273	0.2
95.04948	3.7
95.08591	0.5
97.02864	1.5
97.62025	0.3
98.21416	0.2
99.04409	1.7
99.08092	1.7
100.02457	1.0
101.02372	0.6
101.09640	0.3
102.05524	0.5
103.05448	73.9
104.05769	2.7
105.03361	1.0
105.04502	0.8
105.07014	2.2
106.06544	0.8
107.04934	9.9
107.08577	2.8
109.06495	3.3
109.10125	0.4
115.03960	0.5
115.05434	0.5
117.03356	10.9
117.05549	1.4
117.06989	2.5
117.09116	2.1
118.03516	1.1
119.01764	0.5
119.04958	1.9
119.08572	0.7
119.97881	0.6
120.08076	0.5
121.00776	0.3
121.06490	1.8
121.10114	1.2
121.95763	0.5
121.96623	1.0
122.94156	0.3
127.03883	0.7
127.07549	1.6
128.04913	0.5
130.06503	1.5
130.07724	0.4
131.04903	100.0
132.05235	3.2
132.08061	1.9
133.02829	3.2
134.07188	0.3
134.99640	0.3
135.04395	25.8
135.08002	2.5
135.11659	0.8
136.04733	0.7
136.07535	0.6
139.01790	0.4
139.96671	0.6
145.02821	10.7
145.03848	0.6
145.04924	0.8
145.06453	1.5
145.10074	1.8
146.03250	0.5
146.05971	4.2
146.08676	0.7
146.99696	0.3
147.07964	0.3
155.06007	0.3
158.96265	0.5
160.08032	0.3
163.03874	51.6
163.07504	17.8
163.08609	1.1
163.11142	6.5
163.12306	1.6
163.14806	0.6
164.04390	2.0
164.06938	1.5
181.02832	1.0
181.97879	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0751
Annotation	Methyl cinnamate
Peak:m/z	Relative Intensity
50.01602	0.3
51.02368	0.5
53.03931	2.9
55.01864	0.4
55.05489	0.6
56.96557	0.6
57.03423	0.4
57.07064	0.9
59.86023	0.3
61.02908	0.7
69.03413	0.9
71.62859	0.4
71.63292	0.4
73.02921	0.4
73.06539	0.4
73.97478	0.3
77.03913	1.2
79.05477	4.0
81.03402	0.6
81.07041	0.4
83.04985	0.3
85.02886	0.7
89.03912	1.0
89.06029	0.8
91.05462	1.3
92.02608	1.2
93.07030	1.1
95.04948	6.8
98.97553	0.4
99.04404	0.4
100.02457	1.3
102.09975	0.4
103.05448	76.8
104.05791	2.4
105.03406	2.3
105.04490	1.8
105.07028	1.1
106.06530	0.5
107.04942	1.8
107.08565	1.7
115.05409	0.4
116.98624	0.3
117.03326	0.5
117.05608	0.4
117.07009	0.6
118.03498	1.0
118.06472	0.3
119.01771	0.9
119.04911	0.6
119.08535	0.5
121.06497	0.5
121.10121	1.2
128.02301	0.3
130.06517	1.3
130.07773	0.4
131.04904	100.0
132.05226	4.2
132.08093	1.6
133.01813	0.6
133.02829	11.1
134.03133	0.5
135.04388	12.6
135.08006	0.4
135.11696	0.7
136.04768	0.4
138.03166	0.4
140.86230	0.3
145.02806	0.5
145.06441	0.8
145.10126	1.4
158.99669	0.5
163.03876	55.7
163.07503	16.4
163.11142	4.6
163.12320	1.4
163.14758	0.6
164.04294	2.6
164.07945	0.5
177.00682	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0751
Annotation	Methyl cinnamate
Peak:m/z	Relative Intensity
50.01592	0.3
51.02356	0.4
53.03941	1.8
55.01867	0.8
55.05498	1.4
56.96552	1.0
57.03423	0.9
57.07067	1.8
61.02923	0.8
65.76885	0.3
67.05482	1.1
67.76131	0.3
67.93050	0.2
69.03420	1.7
69.07060	1.0
71.04971	0.5
71.61650	0.3
72.08157	0.5
73.02908	0.3
73.06550	0.3
77.03931	0.7
78.95238	0.3
79.05480	4.3
80.05008	0.4
80.93077	0.3
81.03389	0.8
81.07041	1.5
82.01409	0.4
83.04970	0.3
83.08598	0.6
84.05321	0.3
84.08130	0.6
85.02895	2.0
89.03904	1.8
89.06033	1.4
91.05468	3.3
92.01272	0.2
92.02624	0.5
93.07029	3.9
94.63955	0.2
95.04955	3.9
95.08592	1.2
97.02897	0.7
98.97592	0.8
99.04417	1.3
100.02460	2.3
101.09618	0.4
102.04643	0.4
103.05447	74.1
104.05777	2.2
105.03395	1.2
105.04504	0.8
105.07004	1.7
106.06522	0.6
107.04933	4.1
107.07050	0.3
107.08577	4.9
109.06522	0.5
110.01215	0.3
115.05462	0.8
116.98653	0.4
117.03351	1.5
117.05638	0.8
117.06982	2.3
118.03491	2.0
118.06499	0.3
119.01766	1.0
119.04908	0.7
119.08530	1.3
120.08070	0.3
121.06517	1.7
121.10137	2.5
121.95701	0.6
123.07947	0.3
127.03929	0.5
128.02318	0.4
128.98589	0.3
130.06499	1.7
130.07674	0.4
131.04904	100.0
132.05235	3.4
132.08051	2.3
133.02835	5.0
133.10095	0.3
134.99632	0.5
135.04393	9.1
135.05386	0.4
135.08058	1.2
135.11665	2.2
136.04784	0.4
138.03134	0.3
139.96753	0.4
141.05052	0.3
145.02815	1.9
145.03894	0.5
145.04970	0.3
145.06451	1.8
145.10104	3.6
163.03876	29.8
163.04956	1.1
163.07509	16.9
163.08618	1.0
163.11147	7.3
163.12321	2.7
163.14792	1.3
164.03130	0.4
164.04431	1.2
164.06976	0.8
164.10587	0.5
177.00691	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0712
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03472	6.3
55.01870	1.8
56.05028	2.6
56.52446	0.6
56.96548	1.8
57.03416	1.5
61.01137	1.9
61.02926	0.6
63.92933	2.6
69.03419	2.2
71.06107	3.1
71.55570	1.3
72.04509	20.1
72.08147	10.0
73.02919	3.1
74.02433	100.0
74.06075	0.7
75.02721	1.9
78.95267	9.5
79.05498	0.6
80.93220	0.6
81.03391	1.3
81.93970	1.2
82.02930	17.5
83.01349	3.4
83.03241	0.6
84.04501	1.3
84.08125	3.2
84.10744	0.7
85.02898	3.8
89.03917	1.1
91.05486	0.8
95.04928	0.7
96.85575	0.6
96.96297	0.7
97.02892	0.6
98.97571	0.7
99.05567	85.9
100.02489	2.1
100.03966	30.7
100.05891	1.6
101.02374	1.8
102.05521	2.4
107.04916	1.1
107.08621	0.7
107.36572	0.6
107.43951	0.5
114.02570	1.1
117.05776	1.0
117.06592	6.2
118.03593	1.5
118.05004	50.9
119.01792	0.7
119.03440	0.7
119.97889	8.4
121.01645	1.9
121.95804	0.8
121.96645	1.2
122.94199	4.9
126.29349	0.6
127.03889	1.0
127.12283	0.6
128.03429	3.0
128.10693	1.7
131.04881	1.3
133.02849	0.8
133.07603	5.9
135.04391	2.6
140.95224	3.0
145.02914	1.1
145.06067	7.7
145.07571	5.0
145.13319	1.1
146.04468	97.1
147.04814	2.4
158.96252	6.3
160.54305	0.6
163.03909	6.7
163.07143	9.9
163.08638	49.0
163.66037	0.6
163.96805	1.9
164.08951	1.6
181.02872	1.2
181.97885	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	163.0599
Annotation	3-Hydroxy-3-methylglutarate
Peak:m/z	Relative Intensity
52.60515	0.9
53.03938	6.7
53.35534	1.0
55.01847	3.8
55.05493	3.7
56.96548	1.1
57.03416	1.6
57.07065	4.3
61.02913	1.9
67.05500	2.0
69.03408	4.5
69.07055	2.1
71.02324	2.9
71.04978	6.9
72.08140	1.7
73.02908	2.0
75.68725	1.2
77.03904	1.5
79.05482	12.9
80.93082	1.1
81.03413	14.5
81.07045	2.8
83.08627	1.0
85.02895	43.3
89.03904	6.1
89.05999	3.3
91.05473	11.8
92.02609	1.8
93.07037	9.1
95.04938	8.0
95.08595	2.3
97.02869	2.4
99.04443	72.8
100.02444	3.2
100.04771	1.3
101.02335	1.6
103.03932	100.0
103.05429	27.2
105.03384	2.3
105.04462	1.4
105.07027	4.7
106.06525	1.7
107.04955	8.9
107.08581	16.6
109.02867	9.2
109.06487	1.5
112.03508	1.2
115.05457	2.8
117.03354	4.3
117.05657	1.8
117.07014	8.8
118.03480	1.7
118.07330	1.2
119.01804	1.8
119.04917	2.7
119.08599	3.2
121.06490	3.8
121.10153	8.4
127.03902	63.0
127.45389	1.0
130.06531	4.5
130.07817	1.1
131.04912	30.7
132.08073	5.4
133.02838	9.9
135.04401	22.3
135.08020	7.4
135.11670	4.5
136.07553	7.4
136.33563	1.1
142.13284	1.1
145.02815	2.9
145.03909	1.4
145.04953	3.0
145.06465	4.7
145.10092	7.3
152.53043	1.2
163.03880	73.2
163.07506	18.8
163.08745	2.0
163.11142	23.0
163.12328	6.8
163.14777	4.4
164.03232	1.4
164.04398	1.6
164.07024	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	161.1322
Annotation	Trinoranastreptene
Peak:m/z	Relative Intensity
50.28291	0.4
53.03930	1.1
55.01876	1.1
55.05503	5.2
60.05354	0.4
60.88629	0.4
67.05490	3.8
69.03406	0.8
69.07057	5.7
69.66517	3.0
73.02908	0.6
74.06084	0.8
78.93119	0.9
79.05476	6.9
81.07047	28.6
85.91333	0.4
87.04445	0.6
88.02202	0.6
91.05463	14.5
93.07029	11.6
95.04954	1.7
95.08580	3.6
96.94167	0.5
97.02818	0.9
101.02384	0.6
101.05994	1.0
103.05457	2.8
105.07013	100.0
106.06691	0.5
106.07330	2.4
107.08569	2.6
109.99339	0.4
113.02354	1.8
115.03936	0.5
115.05423	2.6
116.07108	0.5
117.07003	5.0
118.04140	0.9
118.06517	0.6
118.90792	0.4
119.08562	73.8
119.95728	1.7
120.06557	1.0
120.08916	1.9
121.10112	1.0
127.41709	0.4
128.06209	0.6
131.08543	2.8
132.09309	1.7
133.06479	5.2
133.10104	22.5
134.10454	0.7
137.96797	1.0
139.01842	0.6
143.03351	0.7
143.08582	0.9
144.08073	0.5
146.03654	0.8
146.07236	0.7
146.10893	1.3
159.11607	2.1
161.05954	5.3
161.07108	0.9
161.09602	7.5
161.13228	60.9
161.53497	0.4
162.05452	1.5
162.13524	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0595
Annotation	2,3-Dihydroxynaphthalene
Peak:m/z	Relative Intensity
50.84778	0.4
53.03945	2.2
55.01860	5.0
56.05028	0.3
57.03399	0.5
59.27031	0.3
65.03940	0.3
66.04703	1.5
69.03420	0.8
69.07069	0.5
70.38623	1.3
74.06071	0.8
74.51101	0.3
78.93102	1.2
79.05482	15.3
81.03400	0.4
81.07043	0.4
85.02901	0.4
88.02216	0.9
89.03902	0.8
90.04679	2.4
91.05463	5.3
92.02606	0.7
93.07030	0.7
95.04946	4.2
96.94154	0.4
97.02879	0.9
98.20850	0.4
101.02362	0.4
102.04665	0.7
102.05556	0.4
103.05451	21.6
104.05716	0.4
105.07013	100.0
106.07343	2.4
107.04920	1.1
107.08590	0.4
113.02328	0.9
115.05437	25.1
116.05780	1.1
116.07067	0.5
117.06995	1.3
118.04144	16.9
118.06499	0.8
119.04948	0.4
119.08553	6.2
119.95743	0.7
120.05531	0.3
120.06533	0.7
128.06238	0.5
131.04910	4.1
131.08545	0.5
132.05692	1.5
133.06471	61.0
133.10095	2.3
134.05931	0.4
134.06813	1.5
137.96747	0.7
143.04927	0.9
143.05997	5.1
143.08519	1.1
146.03638	0.8
146.07195	0.5
149.05969	0.6
161.05956	16.5
161.07082	1.1
161.09590	8.3
161.10907	0.6
161.13216	3.6
162.03404	0.5
162.05388	0.8
162.09055	0.5
180.04457	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.1323
Annotation	Trinoranastreptene
Peak:m/z	Relative Intensity
51.02370	0.2
51.35565	0.2
53.03937	0.5
55.01870	0.4
55.05501	6.1
57.01455	0.2
59.21876	0.2
67.05457	0.2
69.07060	1.5
69.63388	1.5
79.05474	1.6
81.07043	0.7
85.09636	0.2
91.04880	0.3
91.05461	6.0
92.05759	0.3
93.07018	1.2
95.04953	0.3
103.05433	1.4
104.06242	0.2
105.07011	15.8
106.07365	0.7
107.08581	1.1
115.05428	1.2
116.05772	0.3
117.07000	2.0
118.07756	0.3
119.08560	100.0
120.08880	2.6
121.10118	2.1
130.07806	0.2
131.08536	1.8
133.06491	1.9
133.10107	13.4
134.10440	0.4
138.08096	0.2
145.10161	0.2
146.03546	0.3
146.10826	0.7
159.11653	0.5
161.05971	1.3
161.09613	1.9
161.13229	19.9
162.05484	0.3
162.13580	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.1322
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.3
55.01865	2.4
55.05501	5.3
57.03425	0.6
59.05004	0.6
61.45394	0.3
65.03921	0.7
67.05493	3.9
69.03412	1.4
69.07052	5.1
70.06613	0.4
71.04990	0.6
71.62834	0.7
72.08160	0.5
73.02901	0.7
74.06067	1.1
77.03931	0.6
78.93102	2.5
79.05476	10.2
81.07040	24.9
82.07388	0.5
83.04999	0.5
85.02885	0.8
87.04445	0.9
88.02199	0.6
91.05462	16.3
92.04980	0.5
93.07027	9.8
95.04954	2.0
95.08588	3.3
96.94135	0.9
97.02879	1.4
98.06036	0.7
99.04459	0.4
103.05453	5.8
105.03363	1.4
105.07010	100.0
106.06651	0.7
106.07343	1.6
107.08575	2.8
109.06490	0.5
113.02318	1.9
115.03918	1.3
115.05427	6.5
117.06991	5.2
118.04124	1.9
118.06516	1.4
118.07807	0.5
119.04915	1.0
119.08556	59.7
119.95712	1.7
120.04441	1.3
120.06561	1.1
120.08906	1.6
121.06463	0.6
121.10108	0.7
125.02366	0.4
126.09119	1.2
128.06229	1.5
130.04128	0.8
131.04887	0.8
131.08563	2.8
132.05663	0.4
132.09352	1.2
133.06468	11.8
133.10104	24.0
134.05994	1.3
134.10457	0.8
137.96758	1.8
139.01810	0.7
143.04901	0.8
143.06006	1.1
143.08562	2.3
144.10228	0.5
145.10147	0.4
146.03587	4.8
146.07240	1.1
146.10886	1.1
147.04367	1.6
159.11646	1.9
161.05957	12.1
161.07115	1.1
161.09598	13.9
161.13222	52.9
162.05470	4.8
162.06670	1.3
162.13666	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0293
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96544	0.5
58.06585	0.6
62.53286	0.3
70.72470	1.0
82.99829	0.9
83.04958	0.4
84.08132	1.4
94.44269	0.4
98.06020	0.9
100.02458	1.0
101.00858	14.3
102.00949	1.2
102.96877	0.6
103.00569	0.7
103.02422	0.7
103.07212	0.4
107.05202	0.6
107.55340	0.4
108.29441	0.4
111.04418	1.5
112.88780	0.4
115.97011	0.9
116.05750	3.1
116.55845	0.9
118.03522	0.5
119.01898	100.0
120.01978	7.9
120.97869	0.7
121.01603	0.8
121.03484	0.5
124.97535	2.5
125.02553	0.7
126.09155	1.9
127.47779	0.6
127.56582	1.0
129.04703	1.0
130.08649	0.5
131.49896	0.4
133.98059	7.0
134.97949	1.1
136.48325	5.5
137.02933	44.8
137.48299	0.8
137.50040	0.5
138.03043	3.6
138.98912	0.5
142.03476	2.5
142.98608	1.0
143.01904	0.5
143.03609	4.3
144.03210	1.9
145.48865	18.2
146.48756	1.9
146.52519	1.0
147.99109	0.8
149.00838	0.8
154.49391	3.6
156.97488	0.9
156.99696	1.5
160.04549	1.0
161.02945	6.4
161.04654	1.9
170.90465	0.4
174.98521	1.0
179.03972	9.8
179.99120	0.4
180.04062	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0595
Annotation	2,3-Dihydroxynaphthalene
Peak:m/z	Relative Intensity
51.02367	0.3
53.03930	1.5
55.01858	4.8
55.05506	0.7
56.96528	0.3
57.03429	0.5
58.06586	0.3
65.03931	0.6
65.97177	0.2
66.04704	0.9
66.39355	0.2
69.03429	1.3
69.07050	0.6
70.06570	0.3
70.73259	0.7
71.04984	0.6
72.08134	0.8
73.02898	1.3
74.06062	0.8
75.81290	0.2
77.03897	0.3
78.93105	1.6
79.05476	17.0
81.07019	0.6
81.33339	0.2
83.04972	0.4
84.04488	0.9
84.08124	0.4
85.02884	0.7
87.04450	1.0
88.02180	0.4
89.03898	0.8
90.04689	2.1
91.04887	0.3
91.05458	6.1
92.02615	0.6
93.07010	0.7
95.04951	3.8
96.94149	0.6
97.02864	1.5
98.05997	0.3
101.06040	0.3
102.04659	0.6
103.05444	20.5
103.08899	0.5
104.05730	0.5
105.03380	0.8
105.07007	100.0
106.06631	0.5
106.07338	3.5
107.04945	1.1
107.08523	0.4
113.02374	1.7
115.05429	25.2
115.56254	0.5
116.05747	0.8
116.07030	0.5
117.06985	1.9
118.04137	16.6
118.06500	0.6
119.01896	0.5
119.04359	0.3
119.08546	4.6
119.95667	1.4
120.06547	0.3
121.06456	0.5
126.09115	0.9
128.06194	0.8
129.57770	0.7
131.04903	4.9
131.08517	0.4
132.05661	1.2
133.06464	59.5
133.10081	3.2
134.05949	0.3
134.06812	1.8
135.96971	0.3
137.02847	0.3
137.96758	1.3
139.01756	0.5
143.03448	0.4
143.04883	1.0
143.06003	5.2
143.08530	0.9
143.57509	0.4
144.06532	0.7
144.08052	7.5
144.10069	0.4
145.08315	0.3
146.03604	0.8
146.07225	0.6
149.05933	0.6
161.05936	17.9
161.07010	0.7
161.09563	6.4
161.10857	0.6
161.13190	4.0
162.05287	1.3
162.09001	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.1167
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67807	0.3
55.05494	0.4
57.03426	0.4
57.74693	0.4
67.05502	3.3
69.03444	0.4
70.06581	0.9
71.04974	0.4
71.62648	0.6
71.63027	0.4
72.04514	0.4
72.58459	0.4
76.93343	2.2
79.05476	3.5
81.07053	3.2
85.02906	0.4
85.06527	0.7
86.06068	0.5
87.47636	0.3
91.05464	12.5
93.07045	1.5
94.94385	0.4
95.04970	0.4
95.62804	0.4
97.02895	0.5
103.05509	0.6
105.07018	13.8
106.07346	0.5
107.35193	0.3
113.02364	1.1
113.07157	0.4
113.07908	0.6
114.05516	0.8
115.05434	3.2
116.06232	1.1
117.06998	38.3
117.95966	2.1
118.06567	0.5
118.07264	0.6
118.07929	0.5
119.08575	2.6
128.06175	0.6
129.06995	5.9
130.07762	6.8
131.08548	58.6
132.08894	1.6
135.97000	1.6
141.01833	4.0
142.07693	0.6
142.08684	0.5
144.09329	6.2
144.10385	0.6
157.10123	1.8
159.11664	100.0
160.07481	0.4
160.09665	0.5
160.12024	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0595
Annotation	2,3-Dihydroxynaphthalene
Peak:m/z	Relative Intensity
51.02380	0.4
53.03929	1.4
55.01863	3.9
55.05494	0.5
66.04712	1.2
67.05485	1.1
69.03409	0.8
69.07038	0.4
69.94637	1.7
74.06071	0.6
77.03920	0.6
78.93132	0.4
79.05481	15.1
81.07043	2.0
88.02207	1.0
89.94167	0.3
90.04689	1.5
91.05470	9.8
92.02612	0.5
93.07033	1.5
95.04956	2.9
95.08603	0.5
103.05452	19.3
104.05768	0.6
105.07013	100.0
106.07359	2.6
107.04951	0.9
113.02365	1.1
115.05434	22.4
116.05845	0.4
117.06980	0.9
118.04141	15.9
118.06515	1.3
119.08572	6.5
120.06549	0.6
123.38818	0.4
131.04893	3.8
131.08522	0.6
132.05669	1.2
133.06471	52.7
133.10071	3.6
134.06828	1.4
137.96831	0.4
143.04959	0.5
143.06010	4.8
143.08591	0.9
144.04410	0.4
144.08069	0.4
146.03647	0.8
146.07236	0.9
157.36014	0.4
161.05959	15.0
161.07027	0.8
161.09589	11.9
161.10916	0.7
161.13219	9.4
162.05418	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0595
Annotation	2,3-Dihydroxynaphthalene
Peak:m/z	Relative Intensity
53.03920	1.7
53.24548	0.4
55.01860	6.1
55.05489	0.9
57.03410	0.6
65.03934	0.5
67.05494	0.5
69.03398	1.9
69.07046	0.8
69.83931	2.4
70.41956	0.4
72.08141	0.6
74.06060	0.7
77.03902	0.6
78.93105	1.4
79.05477	14.5
81.07035	1.0
84.35683	0.4
85.02892	1.9
87.04469	0.7
90.04658	0.8
91.05458	7.3
92.94289	0.4
95.04959	3.0
97.02869	1.5
102.05533	0.5
103.04779	1.0
103.05451	17.6
105.07011	100.0
106.07330	2.9
107.04939	0.9
108.33987	0.4
113.02325	1.9
115.05436	22.8
116.05754	0.6
117.06983	1.4
118.03348	0.6
118.04140	4.7
118.06541	0.6
119.08559	7.1
119.95728	1.0
121.06479	0.5
126.09137	0.8
128.06180	1.0
129.06902	0.5
131.04916	3.2
131.08537	0.8
132.05679	1.7
133.06468	47.3
133.10104	5.0
134.05943	0.5
134.06836	1.6
137.96712	1.1
143.03412	0.4
143.06006	5.8
143.08522	1.2
144.06473	0.7
146.03603	9.2
146.07240	1.0
161.05963	20.7
161.09558	7.6
161.13239	6.4
162.05415	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.1166
Annotation	(1,2,3-Trimethyl-2-cyclopropen-1-yl)benzene
Peak:m/z	Relative Intensity
53.03930	0.6
55.05497	0.4
60.58375	0.3
65.03918	0.7
65.96204	0.4
67.05500	3.7
70.06558	0.5
70.94482	1.1
72.04491	0.3
76.92950	0.4
76.93359	2.1
77.03892	0.5
79.05482	3.0
81.07040	2.9
86.06087	0.5
91.05465	9.6
92.05808	0.5
93.07029	1.4
95.04976	0.4
105.07014	13.8
113.02355	0.5
113.34077	0.4
114.05533	0.6
115.05431	4.2
116.06200	0.6
117.06998	68.4
117.95990	2.0
118.06573	0.5
118.07268	1.8
119.08552	5.2
128.06212	0.5
129.06984	8.0
130.07777	6.5
131.08549	42.1
132.08878	1.5
135.97000	1.1
141.01787	2.1
142.07823	0.9
143.08495	0.8
144.09317	12.2
145.09613	0.6
157.10077	2.8
159.11664	100.0
160.12001	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	159.0626
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64727	1.7
59.64747	1.6
67.19744	1.8
69.85423	9.8
69.85777	1.6
74.36839	1.6
74.56548	1.7
79.00391	1.5
95.64809	1.9
159.06267	100.0
160.06609	3.5
173.27014	1.5
177.40909	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.0626
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28535	2.2
55.26115	1.8
69.92741	11.7
87.49801	1.9
103.13052	2.0
111.09580	2.1
136.94185	1.7
159.06271	100.0
160.06604	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	159.1166
Annotation	(1,2,3-Trimethyl-2-cyclopropen-1-yl)benzene
Peak:m/z	Relative Intensity
53.03934	0.8
54.29774	0.8
55.01856	1.4
56.05023	1.3
57.03439	1.0
63.58472	0.8
63.98206	0.8
64.82200	0.8
67.05482	3.7
69.03411	1.2
70.03590	3.0
70.04006	1.7
70.06589	4.2
71.04974	2.0
71.06895	1.8
72.04484	1.6
76.65599	0.9
76.93359	10.1
77.24709	0.8
79.05481	4.0
81.07024	3.7
84.04498	1.4
85.02893	0.9
85.06523	1.1
86.06053	1.3
87.04452	1.0
91.05473	14.5
93.07013	2.6
94.94389	3.6
96.04494	1.1
97.06519	0.8
99.04469	0.9
100.03960	3.6
100.07596	0.9
102.09190	1.1
103.05444	1.2
105.07021	13.6
113.02370	3.8
113.05987	0.8
113.07114	1.4
113.07874	1.6
114.05523	6.9
115.05448	3.6
116.06234	1.0
117.06996	37.3
117.95970	12.5
118.06528	1.4
118.96753	1.7
119.08546	2.8
128.06198	2.2
129.06985	6.5
130.07784	7.1
131.04872	1.8
131.08549	55.2
132.08922	2.1
132.60126	0.8
133.97551	1.0
135.96982	10.7
140.45285	0.8
141.01816	15.0
142.04976	2.4
142.08606	2.1
144.09291	6.9
150.27289	0.7
154.92703	0.8
157.10129	2.9
158.98607	2.6
159.04353	0.9
159.06909	1.9
159.08003	6.8
159.09082	3.7
159.10127	4.7
159.11667	100.0
159.15746	2.6
160.07471	1.1
160.12048	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	158.1174
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	2.0
55.05502	12.9
56.05024	11.9
56.05832	1.4
56.96552	9.2
57.03181	1.3
57.03426	16.4
57.07067	5.3
57.93542	5.3
58.06583	2.5
60.04513	69.2
64.48374	1.1
67.05478	4.1
69.03412	2.0
69.06715	1.8
69.07056	22.6
70.06580	58.8
70.07322	5.1
70.07717	2.6
71.04959	3.0
71.95269	1.1
72.04516	2.2
72.08111	1.6
74.05720	1.0
74.06070	13.9
74.93807	3.7
75.93610	1.2
75.94576	3.3
76.92946	1.8
76.93353	24.5
78.68432	1.1
79.03956	1.1
79.05478	10.1
81.03381	1.1
81.07040	100.0
82.07379	2.9
84.04462	3.3
84.08115	3.8
85.02869	2.5
86.06042	2.0
86.09203	1.6
86.09692	25.0
87.04414	2.0
87.05579	1.5
89.03870	1.1
91.05495	1.5
93.07042	1.3
93.95582	1.5
94.94390	8.4
95.04948	2.5
95.08599	6.8
96.04530	1.2
96.16451	1.0
97.06492	1.9
98.06045	6.4
98.09674	76.8
98.96912	1.9
98.97564	37.1
99.04459	5.5
99.08073	68.6
99.09980	1.7
102.09158	9.9
103.05442	1.2
112.07581	34.1
113.02333	3.7
113.05956	2.2
114.05447	1.2
115.96429	2.8
116.07067	15.3
116.10718	21.5
116.97247	26.1
116.98584	49.7
117.01832	1.2
117.07010	1.1
117.69260	1.1
117.95957	24.5
118.96810	1.8
125.16698	1.0
128.07080	1.4
128.10703	29.8
130.06499	7.0
130.08591	1.1
131.04898	2.1
131.08524	2.9
131.99493	2.7
133.97453	2.2
134.98605	2.5
134.99628	48.6
135.96996	18.1
139.98732	1.7
140.00150	2.8
140.07037	7.7
140.10678	9.7
141.01807	14.1
142.77615	1.2
146.72781	1.1
148.96150	3.3
152.96902	13.0
153.00645	11.1
153.96732	1.4
158.01236	3.9
158.06038	7.1
158.08113	8.9
158.09607	51.3
158.11720	98.4
158.15369	29.2
158.98576	2.4
159.07994	1.8
159.10095	2.5
159.11830	5.2
165.12895	1.1
170.97955	3.2
175.98509	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	158.0124
Annotation	Unknow
Peak:m/z	Relative Intensity
55.63929	0.7
56.18357	0.7
56.96554	11.4
65.74824	0.8
66.00951	0.7
68.30241	0.8
70.32541	3.8
71.95251	2.6
96.50549	1.1
98.97570	100.0
116.98604	81.9
119.67772	0.8
132.49765	1.9
134.99644	47.2
140.00185	3.1
141.50313	2.2
153.00688	6.1
158.01266	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	158.0123
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98637	0.5
55.05511	0.7
56.05013	0.4
56.96555	11.6
56.96837	0.6
57.93558	0.5
67.05489	0.5
68.05017	0.5
69.03398	0.8
69.06673	0.5
69.07058	10.2
69.55086	3.6
70.06581	65.2
71.95258	1.6
74.93819	0.5
75.94592	0.4
82.61044	0.4
84.04479	0.5
84.08127	1.2
87.04450	0.8
90.34704	0.5
97.06496	0.5
97.12012	0.4
98.06037	1.3
98.20684	0.5
98.97569	100.0
102.09176	0.8
107.01768	0.6
112.07592	31.0
113.06017	0.5
116.07079	12.0
116.97225	4.8
116.98602	93.9
117.95999	1.0
117.98939	0.7
126.00717	0.7
131.99483	0.5
133.01514	0.4
134.79852	0.4
134.99638	61.0
135.97025	0.6
140.00159	2.3
140.07045	6.9
141.01773	0.7
141.05411	1.3
147.05766	0.9
152.96895	1.9
153.00688	9.8
158.01233	3.9
158.08087	4.0
158.09604	3.4
158.15405	2.6
161.02956	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	156.0766
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38497	0.2
55.01854	0.4
55.05509	0.2
56.05034	0.6
56.96549	0.7
57.03421	0.4
58.06607	0.2
61.02931	0.2
68.05013	0.8
70.89129	0.5
70.99870	0.1
71.04987	0.6
73.02903	0.2
79.77647	0.2
81.04533	0.5
82.01443	0.4
82.05308	2.3
83.05005	0.3
83.06094	7.8
93.03914	0.3
93.04512	5.4
94.04854	0.2
95.06082	6.7
97.02320	0.6
98.97576	0.5
100.01870	0.3
100.02394	0.8
101.00863	0.3
101.02527	0.2
102.02233	0.3
103.02379	0.2
106.02840	1.3
110.07150	100.0
111.05547	0.8
111.06841	0.3
111.07491	1.9
112.02805	0.3
112.07591	0.2
112.99145	0.3
115.02570	0.2
115.03327	0.8
116.98598	0.3
118.02811	0.4
118.03554	0.4
119.01918	2.3
120.02062	0.2
123.03932	0.2
127.03312	0.2
131.00159	0.4
132.04312	0.4
132.05182	0.3
132.95796	0.3
133.03455	0.6
137.02945	0.6
138.06581	0.2
141.04930	0.3
142.03481	1.6
149.01187	0.4
150.96863	0.4
151.04521	0.2
156.04179	0.5
156.07661	15.0
157.08040	0.4
160.04547	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	156.0767
Annotation	L-Histidine
Peak:m/z	Relative Intensity
55.01870	1.0
55.05492	0.2
55.24071	0.2
56.05023	0.7
56.96558	2.5
57.03422	0.5
58.06589	0.7
61.02905	0.6
67.01857	0.2
68.05006	0.4
69.50256	1.6
70.06579	0.2
70.95854	3.7
71.02988	0.2
71.04975	0.3
72.08147	0.4
72.93777	2.9
73.02900	0.7
74.93825	0.6
74.97572	0.3
78.52957	1.4
78.59196	0.2
78.83313	0.2
79.03015	0.3
81.04527	0.6
82.01433	0.6
82.05309	2.0
83.06092	8.1
84.08086	0.2
85.02885	0.3
85.07661	0.4
86.09696	0.7
86.52692	0.3
86.85686	0.2
87.53467	0.3
88.96895	0.7
90.94820	0.5
91.02419	0.2
92.52686	1.2
93.02070	0.2
93.02685	0.2
93.04520	5.5
95.01321	0.7
95.06075	6.7
95.53232	0.2
98.09682	6.0
98.21473	0.2
98.97571	0.4
99.04475	0.2
100.02468	2.2
101.00880	1.6
101.02542	0.3
101.53202	0.4
103.02391	0.3
106.02837	0.3
107.53236	0.3
109.52957	0.4
110.07150	100.0
110.97547	0.4
111.00805	0.4
111.02042	0.3
111.05542	0.6
111.06805	0.2
111.07484	2.0
111.98466	1.9
112.02850	0.2
112.99151	0.2
113.53183	0.3
113.96383	0.4
114.04013	0.4
115.02451	0.5
115.03283	0.2
115.96392	0.6
116.98650	0.2
117.01865	0.6
118.03522	1.0
119.01906	5.1
119.03548	0.2
120.00758	0.3
120.02032	0.4
121.01582	0.2
128.98595	0.6
129.99481	0.9
131.00175	0.3
131.01897	1.1
132.01990	0.2
132.05037	0.5
132.95813	4.5
133.01642	0.5
133.03439	2.0
133.97467	0.6
134.03508	0.2
136.52504	0.2
137.02924	1.6
138.05478	0.6
138.06598	0.3
142.03481	3.0
143.00938	0.2
143.03560	0.2
145.03436	0.3
146.99643	0.6
147.01361	0.2
149.01196	0.3
150.96864	8.8
151.04497	0.8
151.96944	0.2
155.97401	0.6
156.04991	0.4
156.07663	14.5
156.13802	2.1
157.04906	0.4
157.07993	0.4
160.04547	1.3
168.01404	0.3
168.97937	0.4
168.99678	0.2
173.98428	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.1427
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	3.7
57.03435	1.5
57.07066	100.0
58.07389	1.3
59.25736	0.6
59.33840	0.5
67.05498	6.0
68.05006	0.7
68.99793	0.6
69.07057	2.6
69.29012	0.6
69.29226	1.3
69.29630	5.4
70.95848	4.6
71.04996	1.6
71.08608	0.6
72.93777	52.3
81.03416	0.9
81.07042	6.8
82.06602	0.6
83.04961	3.0
84.05312	0.6
85.06528	16.3
88.96913	1.6
90.94807	11.6
91.05496	0.7
93.07059	1.1
95.04965	2.5
95.08594	6.9
98.20764	1.3
99.04448	1.5
108.95872	2.0
109.06541	1.0
109.10170	3.7
110.06038	1.3
110.07143	3.5
111.04444	3.1
111.08063	1.1
111.98502	2.1
113.06018	2.4
113.96382	29.7
123.04429	0.7
127.03966	0.7
127.05466	1.1
127.07607	1.4
129.99530	0.9
131.96399	1.4
131.97420	29.3
132.95801	5.5
132.97501	0.7
137.06036	1.3
137.09630	1.3
137.13298	1.8
138.01872	0.9
138.05484	0.7
145.06551	1.0
150.96854	15.8
150.98022	0.9
154.99066	2.9
155.03429	1.4
155.04959	2.4
155.06046	0.6
155.07066	7.1
155.08392	1.2
155.10648	1.0
155.14270	10.2
155.15491	0.7
155.97514	1.9
168.97986	1.0
173.98567	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.0853
Annotation	Acenaphthene
Peak:m/z	Relative Intensity
51.02368	0.7
53.03733	0.3
53.03943	2.8
59.91968	0.3
67.85948	0.3
71.13448	0.3
72.93781	3.2
77.03908	1.2
87.35806	0.4
90.94798	0.7
91.05482	0.5
95.04952	5.5
96.67290	0.3
103.05444	2.1
105.04507	1.0
113.96384	2.8
115.05438	16.4
116.06236	0.9
121.83375	0.3
127.05439	1.7
128.05252	0.5
128.06209	11.1
129.06995	16.6
130.07283	0.4
131.97427	1.8
140.06146	0.4
140.13390	0.3
141.06915	0.4
145.06453	5.3
152.06195	3.6
153.06976	32.0
154.07771	16.1
154.98962	0.5
155.06032	4.1
155.08531	100.0
156.06438	0.3
156.08934	4.0
169.86047	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1635
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	4.2
54.03450	3.9
55.05503	99.6
55.56316	3.0
56.05012	5.9
57.07076	13.6
57.07290	2.8
58.06575	5.9
59.06095	7.1
59.78210	2.5
65.03934	19.7
67.02984	2.5
67.05482	9.1
68.02481	2.7
68.05006	17.0
69.03430	5.9
69.04538	19.1
69.07057	68.2
70.04050	2.6
70.06581	54.4
70.07389	2.8
71.04971	4.2
71.06099	19.6
71.08607	7.8
71.63276	4.4
72.04501	18.5
72.08141	7.1
79.05473	7.2
80.04987	2.9
81.03390	6.8
81.04530	6.5
81.07043	6.3
82.05263	3.1
82.06563	4.2
83.04961	7.1
83.06078	12.6
83.08140	3.9
83.08606	52.4
84.05630	4.4
84.08117	4.6
85.07644	16.4
86.06041	3.5
91.05473	4.2
93.03369	3.8
93.07016	8.7
94.06525	4.2
95.04968	6.0
95.06076	30.9
95.08581	10.7
97.06496	7.3
97.07639	3.5
97.10161	69.0
98.07111	3.2
104.51100	2.7
107.04867	3.0
107.08578	9.3
108.04517	3.0
108.05566	2.3
109.06476	2.8
109.07614	10.3
109.10114	5.5
110.05997	5.1
110.07156	36.2
111.04417	46.9
111.05559	5.9
111.06671	8.4
111.07985	27.0
111.09176	30.3
111.11673	5.5
112.05115	17.0
112.07549	4.7
112.08718	100.0
112.54962	2.5
113.07092	6.4
117.06878	2.7
122.07108	4.9
125.05995	16.5
125.06938	2.8
125.08241	3.2
126.10281	9.6
133.88280	2.8
134.05946	2.9
135.04382	3.4
135.08153	2.6
135.11618	3.8
136.03923	5.9
136.04921	2.7
136.07639	5.8
136.08678	27.1
137.05939	3.4
153.05418	12.6
153.06615	8.7
153.07661	5.6
153.09048	12.1
153.10214	10.0
153.11316	90.8
153.12585	4.3
153.13791	3.3
154.04951	8.9
154.06055	4.8
154.08582	14.7
154.09738	12.5
154.12234	4.2
154.13348	4.1
172.62314	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	152.0565
Annotation	Guanine
Peak:m/z	Relative Intensity
55.02977	0.3
55.65762	0.2
56.96544	0.9
57.03418	0.5
59.53048	0.2
62.16086	0.2
69.03436	0.3
70.83302	0.4
70.83650	0.3
80.02459	0.2
82.04046	0.4
98.97548	0.4
100.02466	0.2
107.03570	0.4
109.05105	1.6
110.01324	0.2
110.03509	8.3
115.01352	0.2
115.02442	0.5
116.98640	0.3
119.01878	0.7
128.04536	4.3
128.98593	0.4
129.03966	0.2
133.03448	0.5
134.04601	0.9
135.03003	13.7
136.01430	0.5
140.00385	0.2
146.99684	0.3
147.01350	0.3
147.04994	0.6
152.05650	100.0
153.04053	25.9
153.05922	1.7
154.02414	0.6
154.04424	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1271
Annotation	cis-para-Mentha-2,8-dien-1-ol
Peak:m/z	Relative Intensity
53.03926	0.9
53.60198	0.8
55.01854	2.4
55.04324	0.7
55.05497	9.0
55.93523	0.8
57.03416	4.2
57.07079	1.5
59.04990	2.1
65.03936	3.8
67.05492	22.0
68.05024	0.7
69.03419	5.7
69.07055	35.8
69.98282	4.2
70.05946	0.7
70.94252	6.3
70.95846	3.7
71.04977	3.0
71.94082	8.2
71.95258	1.8
72.59818	0.8
79.05475	18.5
79.86158	0.7
81.07043	26.2
83.04971	8.0
83.08603	3.9
85.06516	0.8
88.95268	1.6
88.96870	1.9
89.00256	0.7
89.95078	0.8
91.05476	4.8
93.03394	1.6
93.07027	35.0
95.04965	4.4
95.08587	14.7
97.06512	19.5
97.36336	0.7
98.00758	0.9
105.06998	1.4
107.04922	2.4
107.08577	36.8
108.08141	0.9
108.08894	1.6
109.06473	1.5
109.10133	30.2
110.03640	1.2
111.04431	10.0
111.08072	6.6
111.11694	0.8
111.96852	3.6
111.98440	1.9
112.96690	3.1
125.05968	6.9
125.09609	1.1
129.97890	4.5
129.99525	0.9
130.97707	3.1
131.11870	0.9
134.06049	0.9
135.04359	2.9
135.08043	2.9
135.11668	86.6
136.03940	2.3
136.07553	3.0
136.11996	3.4
148.97298	1.3
152.99489	1.3
153.05544	6.7
153.06445	1.6
153.07382	3.9
153.09106	3.3
153.12717	100.0
153.99335	0.9
154.04959	5.2
154.08611	1.7
154.13033	4.5
154.15886	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	150.0582
Annotation	L-Methionine
Peak:m/z	Relative Intensity
52.12481	0.4
53.03938	0.5
53.35989	0.5
55.01841	0.5
56.05029	100.0
56.96560	1.9
57.03422	1.6
57.05360	0.9
58.99576	0.6
61.01143	53.8
61.02933	0.6
62.46804	0.4
64.74545	0.5
64.84367	0.4
67.05480	0.5
69.03415	0.8
71.61389	0.7
73.02911	1.4
74.02435	6.4
74.06070	6.8
74.99055	0.7
75.02670	0.6
79.33702	0.4
84.04489	3.5
85.01114	0.6
85.02898	3.5
86.52664	0.5
87.02684	12.7
87.03188	0.9
88.07641	0.5
90.76926	0.4
93.25043	0.4
94.06558	0.8
96.53140	0.4
97.02322	1.6
98.97591	1.5
100.02462	1.2
102.05531	23.4
102.65131	0.5
103.05821	0.6
104.05317	76.8
105.00066	1.1
105.03723	1.4
105.05644	1.1
106.02866	2.4
110.01245	0.9
111.17308	0.5
115.03328	1.3
116.98569	0.8
117.53543	0.6
119.01841	2.2
122.03245	0.6
122.06030	0.6
128.02287	2.2
133.03174	52.3
134.03510	1.2
134.99629	0.5
137.02838	1.3
142.03439	0.7
150.02702	2.1
150.03844	0.5
150.05815	9.0
150.07700	4.3
154.64719	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	152.0554
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77061	2.5
53.03930	2.9
55.01854	5.6
55.05491	11.0
56.96561	91.6
57.01032	2.5
57.03426	19.1
57.07055	6.3
57.28873	2.7
58.03764	2.3
58.99846	4.9
59.04976	4.2
60.04496	4.6
61.02921	12.5
61.13567	2.6
65.03925	8.1
67.05483	11.6
68.00256	3.9
69.03424	26.4
69.07053	7.4
69.62457	20.2
69.98344	2.9
70.06588	17.3
70.94252	10.0
70.95851	7.0
71.04971	2.7
71.95260	6.4
72.08153	3.2
72.76580	2.7
73.02901	9.7
74.00254	3.3
74.97599	5.7
75.04486	3.4
77.00804	17.5
79.05466	11.0
80.00242	4.0
81.03405	12.8
81.07046	8.0
82.01403	6.5
83.00777	19.3
83.04993	12.0
84.08138	23.3
85.02893	9.4
85.53737	2.5
86.01321	6.5
86.99384	2.9
87.99398	5.0
88.02654	2.9
88.51621	3.5
88.96896	2.9
89.00768	15.1
89.51556	6.6
90.01575	6.4
90.45259	2.5
90.51437	5.2
91.02351	4.3
91.05469	4.0
92.01293	16.6
93.03361	2.8
93.07008	8.3
93.53508	5.3
94.51546	3.3
95.04955	6.2
95.08590	7.1
95.31622	2.7
96.01529	13.5
96.51781	2.7
97.02309	5.5
97.02899	8.7
97.06519	7.3
97.99161	3.5
98.01285	41.9
98.51502	2.5
98.52747	3.6
98.97573	90.5
99.97871	2.8
100.02480	53.3
100.51546	3.5
101.00879	11.0
101.02493	11.0
101.52401	9.5
101.53073	3.1
102.01524	14.3
102.02248	17.0
103.02429	9.6
104.60255	2.6
105.00354	4.4
105.02058	10.4
106.00408	3.6
106.06534	4.1
107.00125	3.7
107.01803	51.1
107.04954	4.1
107.08579	10.0
108.04295	2.7
109.02866	5.7
109.06480	3.8
109.10146	5.5
109.52153	4.3
110.03782	4.6
110.06038	3.5
110.51446	4.4
110.97552	16.9
111.02073	54.9
111.02855	7.3
111.04443	25.5
111.05150	3.3
111.05515	3.3
111.08087	2.7
111.52252	4.2
111.96821	4.3
112.99122	3.6
113.53197	4.0
114.02559	4.6
114.49850	2.7
116.00229	3.0
116.98616	91.7
117.02147	4.7
117.03891	7.9
117.55234	2.9
117.98969	2.6
118.01034	14.7
118.02769	2.9
118.03524	39.9
118.52583	5.0
119.01899	60.7
119.02705	5.2
119.03614	11.3
119.51955	10.2
119.55026	4.5
120.02587	71.4
120.03305	5.2
120.06028	3.7
121.01559	4.1
121.03511	5.7
122.52893	4.0
122.53699	4.9
123.04072	3.3
124.07545	8.0
125.05976	7.1
126.00763	4.1
126.55820	3.7
127.01537	6.3
128.02260	7.3
128.52509	7.9
128.53749	2.8
128.97778	6.4
128.98595	34.6
129.02066	16.7
129.03075	100.0
129.03972	60.1
129.06464	3.3
129.08904	10.1
129.53325	5.9
129.97893	7.2
130.01697	5.4
131.00168	6.1
131.01877	8.8
131.53354	6.3
131.54219	3.8
132.05975	2.8
133.03455	8.2
134.04727	2.7
134.05919	3.9
134.99649	87.0
135.03116	7.6
135.05089	5.4
135.08003	3.5
136.04634	2.6
137.02924	27.3
137.04802	2.3
137.50009	2.8
137.52983	2.9
137.98351	6.2
138.03636	20.2
138.52370	4.0
140.00201	3.6
140.05013	5.4
140.53835	11.3
140.54788	3.7
141.02924	2.9
141.04941	5.9
141.55258	3.1
142.03487	78.3
142.04596	5.2
143.01849	5.3
143.03654	4.6
146.99638	42.2
147.01379	21.8
147.03195	17.6
147.05023	84.5
148.02704	6.3
148.05138	4.5
149.01248	4.2
149.02925	4.2
152.01561	15.0
152.04382	2.5
152.05658	7.1
152.07086	12.8
152.10632	3.6
153.00668	20.1
153.05403	6.0
153.09140	3.3
153.12729	4.8
157.03410	3.3
158.01233	6.4
159.04967	3.2
160.04536	35.8
161.01221	3.8
161.02940	7.9
165.00729	10.4
165.02419	6.0
165.06168	4.5
170.01286	3.8
170.02980	8.1
170.06572	6.1
171.04941	3.0
173.01273	2.4
173.02895	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	149.1322
Annotation	Ectocarpene
Peak:m/z	Relative Intensity
53.03940	3.3
55.05490	9.2
57.24511	2.2
67.05492	28.1
69.07055	19.7
70.67878	7.5
79.05476	54.9
81.06571	4.1
81.07037	74.4
82.07407	2.8
83.08591	5.0
91.05463	16.3
93.07024	100.0
94.07407	2.8
95.08585	12.6
105.07027	4.7
107.07847	5.0
107.08571	83.0
109.06486	2.5
118.40147	2.1
120.81073	2.2
121.10123	27.2
147.61629	2.4
149.02354	3.2
149.13225	94.3
150.13504	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	149.1322
Annotation	Hormodirene
Peak:m/z	Relative Intensity
53.03930	2.4
55.01869	2.8
55.05494	7.5
56.01472	1.4
65.03934	21.6
66.04247	1.8
67.05492	17.4
69.07058	13.3
70.03609	7.0
78.37431	1.8
79.05479	48.7
81.07043	50.1
83.08595	3.1
91.05460	13.9
93.03376	6.8
93.07028	73.4
94.07340	2.0
95.04945	5.0
95.08591	10.6
98.03658	1.9
103.05438	2.8
105.07001	6.0
107.04961	2.6
107.08575	50.7
108.08890	2.4
110.44470	1.7
111.04421	6.3
121.02848	37.2
121.03950	6.3
121.10125	17.0
122.03170	2.6
122.06023	1.5
125.29298	1.4
131.08540	2.0
149.02324	100.0
149.05901	3.9
149.09622	16.6
149.13239	61.8
150.02655	6.2
150.03732	2.2
150.05484	2.0
150.13646	2.7
155.04550	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1323
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.5
55.01856	1.8
55.05491	0.7
65.03932	24.6
66.04248	1.1
67.05497	2.5
69.07047	1.7
69.97710	2.9
75.99487	0.5
79.05488	5.8
81.07042	5.7
81.48788	0.5
83.08575	0.7
90.45186	0.4
91.05492	2.7
93.03391	8.4
93.07029	10.6
95.04929	0.9
95.08586	1.4
98.03648	1.4
105.07008	1.1
107.04933	1.0
107.08579	7.8
108.04495	1.0
111.04427	7.8
114.52788	0.6
121.02850	39.4
121.03941	6.7
121.06464	0.9
121.10109	3.4
122.03198	1.8
131.04932	0.5
149.02325	100.0
149.05989	1.5
149.09584	4.0
149.13239	7.1
150.02664	6.7
150.03737	0.6
150.05470	1.5
150.13644	0.6
160.16911	0.4
167.03430	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1323
Annotation	Hormodirene
Peak:m/z	Relative Intensity
53.03931	3.4
53.47796	1.4
53.62391	1.6
55.05511	10.8
57.11380	1.5
65.03934	9.9
67.05499	35.1
67.84682	1.3
69.07069	17.0
69.44260	3.2
69.44672	12.7
79.05483	51.8
81.07048	87.1
82.07383	2.6
83.08609	5.2
91.05477	18.3
93.03383	2.2
93.07034	88.1
94.07340	2.7
95.04951	6.0
95.08590	15.2
95.12351	1.4
98.21455	2.9
105.07009	6.1
107.04954	31.0
107.07851	3.6
107.08582	72.3
108.04455	1.6
108.08879	3.1
109.06496	2.7
111.04452	3.2
120.05724	2.6
121.02862	14.5
121.03778	2.1
121.06399	2.1
121.10128	26.6
122.10503	1.9
145.93054	1.4
147.11563	1.8
149.01160	2.0
149.02321	33.9
149.03456	2.4
149.05838	1.7
149.09605	18.4
149.13240	100.0
150.02676	2.3
150.13551	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	149.1323
Annotation	Hormodirene
Peak:m/z	Relative Intensity
53.03941	5.1
53.59053	1.9
55.05484	9.7
65.03915	9.1
67.05167	2.7
67.05498	39.2
69.06772	2.1
69.07062	24.5
71.06924	6.3
79.05060	3.3
79.05487	56.6
80.05805	3.9
81.07046	98.9
81.77187	1.9
83.08599	4.4
91.05460	14.9
93.03390	2.4
93.07035	97.1
94.07327	2.9
95.04934	6.8
95.08599	19.8
105.06997	5.8
107.04961	3.4
107.07849	5.1
107.08578	89.9
109.06491	2.8
121.02850	16.5
121.03907	3.5
121.10137	27.9
149.02318	29.9
149.09599	4.4
149.13234	100.0
150.13528	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	149.1323
Annotation	Ectocarpene
Peak:m/z	Relative Intensity
55.01856	1.6
55.05502	3.1
65.03938	23.3
65.91359	0.8
66.04250	1.0
67.05491	1.8
68.99763	1.0
69.07040	5.0
71.62511	1.8
71.81644	0.9
79.05486	12.3
81.07052	9.0
89.03922	1.2
91.05466	13.5
93.03391	6.2
93.07034	27.5
94.30181	0.9
95.04945	2.5
95.08578	2.3
98.03645	1.2
103.05446	2.8
105.07007	11.1
107.04946	1.9
107.08583	34.3
108.08888	1.3
109.06520	1.6
111.04452	5.8
117.80318	1.0
119.08564	3.6
121.02853	36.6
121.03962	7.5
121.06516	6.0
121.10132	32.6
121.11024	1.6
122.03098	2.1
122.10474	1.2
123.08051	1.4
131.04884	1.7
131.08560	4.3
149.02328	100.0
149.05963	9.1
149.09612	16.8
149.13246	21.3
150.02705	5.7
150.03703	2.0
150.10052	1.3
153.37511	1.0
167.03294	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1324
Annotation	Hormodirene
Peak:m/z	Relative Intensity
53.03939	2.0
55.05497	3.1
56.71906	0.7
59.90625	0.7
65.03596	1.3
65.03933	25.4
66.04263	1.1
67.05491	6.3
69.07061	5.8
69.99004	3.7
79.05486	17.2
81.07049	23.0
91.05476	5.1
93.03394	8.7
93.07035	27.9
95.04963	2.7
95.08601	4.1
98.03666	1.6
98.21415	0.9
103.05457	2.4
105.03400	1.6
105.07011	2.9
107.04927	1.2
107.08583	24.4
108.08894	1.3
110.61296	0.7
111.04423	5.6
119.08562	1.3
121.02856	35.9
121.03955	7.1
121.06526	1.5
121.10126	9.6
122.03194	2.7
122.04176	0.8
127.08167	0.8
131.04930	1.4
149.02328	100.0
149.05969	3.2
149.09656	4.7
149.13237	27.2
150.02676	6.6
150.03726	1.6
150.05473	1.5
150.13635	1.0
167.03447	1.8
169.03529	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1323
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70404	0.7
55.01861	1.7
55.05510	1.8
61.01114	0.9
65.03599	1.4
65.03929	20.8
67.05479	3.4
69.07052	3.2
69.55846	3.9
69.56284	3.0
77.06322	0.7
79.05473	10.9
80.37427	0.7
81.07043	12.9
83.08602	0.9
91.05456	7.2
93.03375	7.1
93.07028	20.0
94.07349	1.1
95.04931	1.5
95.08584	1.7
97.04931	0.9
98.03670	1.4
103.05470	2.0
105.03358	1.0
105.07022	6.3
107.05021	0.9
107.08573	19.7
108.04522	1.1
108.08888	1.3
109.06516	1.4
111.04434	6.2
119.08562	1.5
120.09338	1.0
121.02843	37.5
121.03934	6.2
121.04736	1.3
121.10123	21.7
122.03156	2.0
123.07972	1.3
130.17084	0.7
131.04893	2.6
131.08563	2.1
133.10089	1.0
149.02318	100.0
149.05991	2.4
149.09587	7.9
149.13237	20.5
150.02643	7.0
150.03629	1.0
150.05464	1.7
150.09103	1.7
150.19304	0.8
158.28702	0.8
167.03360	2.2
169.03374	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1323
Annotation	Multifidene
Peak:m/z	Relative Intensity
51.70404	0.7
55.01861	1.7
55.05510	1.8
61.01114	0.9
65.03599	1.4
65.03929	20.8
67.05479	3.4
69.07052	3.2
69.55846	3.9
69.56284	3.0
77.06322	0.7
79.05473	10.9
80.37427	0.7
81.07043	12.9
83.08602	0.9
91.05456	7.2
93.03375	7.1
93.07028	20.0
94.07349	1.1
95.04931	1.5
95.08584	1.7
97.04931	0.9
98.03670	1.4
103.05470	2.0
105.03358	1.0
105.07022	6.3
107.05021	0.9
107.08573	19.7
108.04522	1.1
108.08888	1.3
109.06516	1.4
111.04434	6.2
119.08562	1.5
120.09338	1.0
121.02843	37.5
121.03934	6.2
121.04736	1.3
121.10123	21.7
122.03156	2.0
123.07972	1.3
130.17084	0.7
131.04893	2.6
131.08563	2.1
133.10089	1.0
149.02318	100.0
149.05991	2.4
149.09587	7.9
149.13237	20.5
150.02643	7.0
150.03629	1.0
150.05464	1.7
150.09103	1.7
150.19304	0.8
158.28702	0.8
167.03360	2.2
169.03374	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1323
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.9
55.01855	1.2
55.05495	1.4
57.55727	0.6
65.03931	24.3
66.04274	0.7
67.05492	3.6
67.93548	0.6
69.07048	2.4
71.63261	1.1
79.05479	9.9
81.07041	11.3
83.08643	0.7
85.00486	0.6
91.05473	4.7
93.03387	7.3
93.07028	17.5
95.04948	1.6
95.08596	2.0
98.03667	1.0
103.05437	3.0
105.04514	0.9
105.07020	1.6
107.04877	1.0
107.08588	11.5
108.00002	0.7
108.04461	1.2
108.08818	1.0
111.04444	5.3
121.02847	36.4
121.03954	8.9
121.06475	3.0
121.10108	5.4
122.03179	2.3
122.06045	1.2
131.04907	1.9
131.08574	1.1
145.22116	0.6
149.02322	100.0
149.05949	4.2
149.07047	1.4
149.09641	3.6
149.13234	12.2
150.02634	5.9
150.03667	1.4
150.05495	1.9
167.03409	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1323
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59715	0.8
53.03933	2.2
55.01851	0.9
55.05505	5.8
56.62331	0.8
65.03927	25.9
65.92013	0.7
66.04243	1.1
67.05492	18.8
69.06712	1.0
69.07056	12.3
71.63103	0.9
79.05479	34.2
80.05806	1.2
81.07043	54.6
82.07343	1.4
83.08607	4.2
91.05463	11.6
93.03387	8.1
93.07030	58.7
94.07352	2.1
95.04970	4.1
95.08598	8.9
98.03642	2.0
103.05443	3.0
105.07006	7.3
107.04930	1.6
107.08576	46.3
108.08892	1.6
109.06513	1.0
111.04404	6.4
119.08514	0.9
121.02844	35.6
121.03951	9.0
121.06444	1.6
121.09295	1.3
121.10120	17.8
122.03156	1.1
149.02319	100.0
149.05951	3.7
149.08450	0.9
149.09616	3.4
149.13232	58.1
150.02655	7.3
150.03703	1.6
150.05455	1.8
150.09076	1.9
150.13564	2.3
167.03430	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0596
Annotation	3-Isochromanone
Peak:m/z	Relative Intensity
50.02192	0.6
50.45441	0.7
51.02368	0.8
53.03928	2.7
55.99862	0.7
56.05022	0.8
56.96567	1.4
61.02935	0.8
65.03928	13.9
65.21979	0.7
67.05502	1.6
70.81429	2.2
77.03907	1.3
79.05483	41.6
80.05817	1.1
84.24796	0.8
85.02917	0.9
85.72181	0.7
91.05466	11.6
93.03380	4.6
93.07030	47.6
94.06545	2.2
94.07357	1.1
95.04958	7.4
100.76115	0.6
103.05454	100.0
104.05803	4.6
105.04492	1.5
105.07011	2.1
107.04939	30.5
107.08569	0.7
108.05252	1.2
111.04432	2.9
120.53082	0.8
121.02847	19.3
121.03947	3.9
121.06482	22.5
121.08404	0.8
122.06022	1.4
122.06856	0.9
126.59283	0.7
131.04910	9.3
131.08574	0.9
133.05080	0.9
146.63838	0.7
149.02327	48.2
149.05956	14.4
149.09581	1.2
150.02650	2.5
150.05486	2.9
150.07700	1.7
167.03419	1.5
169.03412	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0959
Annotation	4-Isopropyl-2,4,6-cycloheptatrien-1-one
Peak:m/z	Relative Intensity
52.44755	1.0
53.03931	2.7
55.01844	4.2
60.05206	0.9
60.77430	0.9
65.03928	23.2
68.99783	6.7
69.03406	3.6
71.62642	1.1
79.05479	14.3
81.07047	6.5
88.91682	0.8
89.03855	1.0
89.22768	1.0
91.05463	41.8
93.03381	6.9
93.07025	25.2
95.04958	5.9
96.17193	1.0
98.03658	1.2
103.05446	8.8
104.05798	0.9
105.04498	1.3
105.07007	29.5
106.07803	2.6
107.04931	2.9
107.08553	5.0
109.06491	4.9
111.04420	4.3
115.05423	6.0
116.06213	17.7
119.08540	4.2
121.02847	33.5
121.03945	8.2
121.06478	31.7
121.10117	35.8
122.03152	2.4
122.06848	1.8
122.10440	1.9
123.08070	4.9
128.06171	1.3
129.06981	5.8
131.04926	2.1
131.08542	26.5
132.08908	1.7
133.06535	1.3
133.07617	2.3
134.07233	3.5
137.31357	0.9
147.08003	2.9
149.02321	83.0
149.05965	33.5
149.09593	100.0
149.13191	2.2
150.02626	5.0
150.10005	4.6
152.54446	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.1166
Annotation	Viridiene
Peak:m/z	Relative Intensity
51.56295	0.8
53.03929	2.0
55.01854	1.2
55.05280	1.0
55.05500	9.0
56.05010	1.2
57.03426	1.7
60.35714	1.0
61.02916	1.0
64.92793	1.8
65.03926	5.8
67.05485	2.6
69.03067	1.6
69.03420	21.8
69.07043	4.1
69.85770	6.6
71.04985	1.2
79.05477	3.8
81.03389	2.9
81.07042	1.4
83.04978	5.1
84.04493	29.1
84.08115	2.8
85.02899	8.4
91.05468	100.0
92.05793	3.3
93.07025	2.2
95.04981	1.7
98.21464	2.0
101.29375	0.9
102.05534	2.2
103.05440	1.3
105.07015	54.0
106.07337	3.4
107.08577	3.0
111.04427	1.8
115.05402	1.1
117.07034	6.6
119.04927	96.5
119.08566	63.9
120.04507	1.1
120.05237	5.7
120.08143	1.4
120.08912	4.4
123.96424	5.2
129.03404	1.3
129.06938	0.9
130.04970	10.3
131.08568	1.6
132.09311	4.2
141.31747	1.0
145.10101	6.6
147.04396	66.8
147.05370	2.7
147.07999	5.7
147.09135	2.0
147.11668	58.9
148.03879	2.9
148.04823	3.1
148.12106	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.1166
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02362	0.8
53.03947	1.0
55.05510	5.7
57.03421	2.7
60.23383	0.6
61.02926	1.0
64.92789	1.3
65.03933	5.3
67.05498	1.6
68.78696	0.6
69.03420	17.4
69.07056	1.9
71.04977	2.2
72.08150	1.3
73.02895	1.0
73.08479	0.8
75.80111	0.6
79.05485	3.9
79.57543	0.7
81.03391	1.9
81.07053	1.1
83.04967	4.6
84.04496	21.7
84.08137	3.1
85.02897	5.3
91.05470	100.0
92.05820	5.3
93.07033	1.8
99.04484	1.5
102.05521	2.4
103.05462	1.7
105.07019	40.7
106.07343	1.0
107.04944	0.9
107.08595	2.5
111.04456	1.5
116.06243	0.8
117.06966	4.3
119.04931	72.7
119.08566	48.6
120.04499	0.9
120.05242	4.2
120.08096	0.9
120.08899	2.0
123.79966	0.6
123.96451	2.4
129.03268	0.7
129.05507	0.8
130.04057	0.9
130.04974	8.9
131.08519	1.3
132.05692	0.8
132.09332	1.4
133.17955	0.6
145.10107	3.9
147.04399	58.3
147.05417	2.9
147.08025	5.4
147.09108	1.1
147.11670	38.5
148.03876	2.4
148.04933	3.7
148.07550	0.8
148.12041	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.1166
Annotation	Viridiene
Peak:m/z	Relative Intensity
53.03941	2.1
55.01858	2.4
55.05509	12.1
57.03422	3.0
60.73533	1.2
61.02924	1.8
64.92789	7.0
65.03918	3.9
67.05495	18.1
69.03422	34.5
69.07057	5.0
69.83257	2.5
69.83668	6.2
71.04980	4.3
73.02893	1.5
79.05489	14.9
81.03396	3.7
81.07046	12.1
83.04969	10.0
84.04495	7.9
84.08129	3.5
84.94326	1.4
85.02898	12.5
91.05471	80.4
92.05796	2.4
93.07053	9.8
95.04963	2.2
99.04469	2.3
102.05523	1.4
103.05460	2.7
105.07019	100.0
106.07320	2.1
111.04425	2.8
117.06992	7.8
118.07758	2.2
119.04933	14.3
119.08566	72.8
120.08873	3.3
123.96444	17.0
130.04988	2.7
132.09329	1.6
145.10094	5.5
146.98048	2.2
147.04388	11.7
147.05524	5.1
147.06555	2.0
147.08031	7.3
147.11668	87.2
148.03885	2.8
148.04921	1.5
148.12006	3.0
169.60982	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0438
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
53.25101	0.4
64.92770	0.9
65.03930	5.8
67.05502	0.5
69.03395	1.1
70.21660	2.5
81.31246	0.5
82.67368	0.6
84.04491	5.2
84.08150	0.9
91.05464	78.4
92.05793	2.3
95.04965	0.6
98.20815	0.7
105.07015	2.6
111.04411	0.6
119.04919	100.0
119.08542	3.2
120.05242	4.3
123.96421	1.2
130.05009	2.4
145.10146	0.6
147.04384	63.2
147.11653	2.6
148.04745	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	147.1127
Annotation	L-Lysine
Peak:m/z	Relative Intensity
56.05024	2.2
67.05479	1.2
69.63668	0.8
69.64075	1.3
72.08157	0.4
73.08456	0.4
77.86568	0.3
82.26155	0.3
84.04496	11.5
84.08131	100.0
85.06529	0.4
85.08466	3.0
102.05533	2.4
102.09177	0.5
113.11555	0.4
129.10275	0.8
130.05000	1.8
130.08621	20.2
131.08957	1.1
147.11278	1.9
148.06024	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	146.1651
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05598	0.4
51.15041	0.4
54.06918	0.4
58.06594	7.8
70.06581	0.4
70.11337	0.8
70.11730	1.4
72.08145	100.0
73.08483	2.1
75.09232	4.3
82.45872	0.4
84.04495	6.0
84.08129	13.2
84.59499	0.4
98.21452	0.5
112.11229	25.2
113.11568	1.0
125.26931	0.4
129.13864	7.2
130.04984	2.9
130.08675	1.1
135.46631	0.4
146.16490	4.0
154.35884	0.5
157.94890	0.4
160.57353	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	146.165
Annotation	Spermidine
Peak:m/z	Relative Intensity
55.85823	0.4
56.05021	2.7
58.06594	7.8
59.04967	0.3
60.04491	0.4
60.05640	1.8
67.05511	0.3
67.76785	0.3
69.03427	0.6
70.06588	1.1
71.61644	0.3
72.08145	100.0
73.08473	2.4
75.09238	4.6
82.06578	0.6
83.04944	0.4
84.04493	66.6
84.08132	23.1
85.02880	0.8
86.06060	5.1
87.04455	8.7
98.03962	0.3
100.07575	0.5
101.07110	2.8
102.05540	1.6
103.26935	0.4
104.07126	1.7
107.04478	0.3
111.05577	0.8
112.11229	22.3
112.89243	0.3
113.11568	0.5
113.14790	0.3
119.01920	0.4
128.07027	1.5
128.08151	0.9
129.13866	6.6
130.04988	29.7
130.08629	3.3
146.08150	0.5
146.09210	5.6
146.11726	0.6
146.16479	5.1
147.07637	1.9
147.11194	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.101
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.6
55.01849	2.5
55.05483	0.6
57.03419	2.7
62.92987	3.8
64.19261	0.6
65.03931	1.1
66.01876	0.5
67.05499	3.6
69.03407	4.2
71.04984	11.6
71.36201	0.7
72.08147	6.8
79.05482	0.8
81.03401	5.4
83.04942	0.7
85.02900	7.1
86.06089	0.8
86.85976	0.6
87.00779	0.9
89.03888	2.4
91.05467	38.2
92.05801	1.3
97.02869	3.7
99.04440	30.6
100.07622	1.5
101.02330	0.8
103.03844	0.7
103.05427	3.1
105.07014	25.5
106.07374	0.7
112.11220	1.2
115.05444	8.1
116.06244	6.2
117.03376	1.7
117.07001	55.6
118.06530	5.3
118.07360	2.3
121.96616	8.0
127.03903	6.7
127.62313	0.7
128.06195	2.8
129.07014	3.1
129.13916	0.6
130.07768	19.3
143.08542	9.7
145.03947	0.9
145.04932	4.0
145.06575	3.3
145.10100	100.0
146.05997	4.2
146.08055	1.1
146.10408	5.0
155.06030	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	146.0598
Annotation	3-Methyleneoxindole
Peak:m/z	Relative Intensity
53.42393	0.5
54.08881	0.5
55.05499	0.8
57.03421	1.0
58.06590	1.5
69.03419	3.5
71.61160	1.0
72.08144	23.8
75.09223	1.0
84.04491	2.7
84.08135	2.8
85.02896	1.4
91.05466	19.0
100.07562	0.7
112.11233	5.5
117.05800	3.3
118.06523	100.0
119.04932	4.7
119.06863	4.7
123.96443	0.8
128.04938	7.1
129.13861	1.8
130.04970	1.3
146.05984	44.9
146.16470	0.6
147.04372	2.2
147.06349	2.0
149.68240	0.5
150.21577	0.5
150.72153	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	144.0806
Annotation	3-METHYLQUINOLINE
Peak:m/z	Relative Intensity
50.63374	0.2
53.03931	0.7
54.29237	0.2
55.01855	0.7
56.05024	0.4
57.03410	0.8
60.04504	0.8
60.98731	0.2
61.22120	0.2
62.92987	0.5
69.03429	1.1
70.06570	1.0
71.04981	3.1
71.35062	0.4
72.08131	0.3
81.03420	1.0
84.04485	0.5
84.08131	0.3
85.02892	5.3
86.09693	0.3
91.05466	1.7
97.00809	0.3
97.02884	0.7
98.06048	1.9
98.09692	0.2
99.04438	10.1
100.62773	0.2
102.05527	0.2
103.05442	1.9
105.81940	0.2
106.38589	0.2
106.56953	0.2
115.05435	4.4
116.04953	0.4
117.05792	1.3
117.06999	14.8
118.06514	0.6
118.07295	0.4
121.00764	0.6
121.96618	1.5
126.02638	0.4
126.05481	0.4
127.03895	2.1
127.05392	0.5
128.04942	1.1
128.06227	0.3
139.01790	1.9
142.06487	0.3
143.07286	9.8
144.03752	1.3
144.08060	100.0
145.04958	1.2
145.06462	3.8
145.08411	4.2
145.10129	0.5
146.05920	0.4
155.06015	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	142.0348
Annotation	Unknow
Peak:m/z	Relative Intensity
60.03570	3.3
65.24934	4.0
70.99933	6.8
101.00830	18.9
107.55912	3.0
114.70988	3.6
119.01901	100.0
120.02000	6.2
137.02939	34.6
139.55278	3.4
142.03476	43.1
160.04547	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	142.0347
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96536	5.6
57.03421	6.9
58.27011	3.1
59.49221	2.8
60.19981	2.4
69.03423	5.9
70.23843	7.7
70.24232	5.3
73.02889	6.1
73.35028	2.9
97.02885	6.1
98.01250	3.8
98.97578	7.8
100.02471	9.8
100.07642	3.1
100.97133	2.7
101.00848	17.8
110.52994	2.7
110.97529	2.9
116.98618	5.4
118.03494	4.0
118.98174	4.9
119.01893	100.0
120.01992	4.5
125.02333	3.6
128.02296	6.1
128.98622	2.9
137.02930	33.1
142.03477	43.0
142.08578	3.9
143.03371	30.3
160.04538	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	141.0695
Annotation	Norcapillene
Peak:m/z	Relative Intensity
69.03402	0.3
70.06564	0.4
70.15132	1.2
80.77154	0.2
81.07039	0.3
91.05469	0.9
95.08583	0.3
96.08237	0.2
102.23899	0.3
109.69112	0.3
113.02324	0.4
113.53773	0.2
115.05434	27.2
116.05775	0.9
118.96749	0.4
139.05408	0.3
141.01807	0.7
141.06964	100.0
142.07291	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	142.0348
Annotation	Unknow
Peak:m/z	Relative Intensity
70.20541	10.0
98.20718	3.5
101.00861	18.8
119.01902	100.0
120.02017	6.9
137.02931	40.6
142.03484	36.7
143.03560	3.7
160.04536	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	140.0017
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96553	26.3
57.93567	0.9
70.06590	0.8
70.63527	2.4
71.95251	4.0
95.01330	3.3
98.97562	100.0
100.02406	0.8
100.58571	0.7
111.04395	0.9
112.03977	0.8
112.07545	0.8
116.97216	3.4
116.98594	89.2
117.98956	0.9
119.01796	1.0
128.02293	0.7
134.99628	50.9
140.00148	2.4
140.07051	1.1
140.08112	0.9
141.01822	1.1
141.05455	2.3
153.00659	6.8
158.01218	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	140.0816
Annotation	4-Amino-5-hydroxymethyl-2-methylpyrimidine
Peak:m/z	Relative Intensity
56.96572	3.2
57.04563	20.1
57.93548	13.9
58.02948	27.8
69.03432	3.1
70.06573	7.0
70.69313	10.7
71.06090	7.1
75.52006	3.7
78.15891	3.0
81.04527	5.1
82.02948	4.0
88.87322	3.0
94.06580	3.4
95.06076	4.9
96.04480	3.2
98.06072	5.0
98.07159	100.0
98.97589	4.5
99.05570	24.6
109.99895	3.0
111.28561	3.0
112.07550	4.0
112.08729	4.3
116.97199	31.4
116.98594	4.0
122.06229	4.4
122.07139	42.2
125.28862	3.3
131.46750	2.8
134.99631	9.1
139.98769	9.9
140.03435	8.1
140.07120	5.9
140.08156	44.6
140.10677	6.8
140.11729	4.3
141.01828	3.4
141.11314	3.7
146.56772	3.2
148.96204	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	140.0016
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27632	0.6
56.96554	23.6
57.93549	0.8
69.97078	0.6
70.81856	1.9
71.95258	4.7
98.97564	100.0
99.97899	1.0
112.07541	1.1
113.02388	1.1
116.98596	86.3
117.98940	1.2
134.99626	45.5
140.00163	2.0
140.03381	0.8
140.07037	1.5
141.01859	0.9
153.00693	5.7
156.24487	0.7
158.01233	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	140.0016
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05014	3.6
56.96289	1.7
56.96555	26.0
57.93557	18.3
66.04241	0.8
67.01840	1.1
67.05478	3.9
67.93536	3.8
68.05016	1.4
68.99743	0.8
69.03416	1.7
69.07048	2.2
70.06577	2.3
70.97038	2.1
71.95245	5.9
79.05432	0.9
81.03392	1.5
83.06075	2.3
84.04482	2.3
94.02871	0.9
94.06541	5.3
95.01299	1.9
95.04941	3.8
95.06061	1.9
95.08627	2.0
96.04434	1.4
96.05627	1.4
97.02865	0.8
98.06020	1.6
98.07157	2.6
98.97563	54.5
99.05551	2.2
107.38875	0.9
109.36551	0.9
111.04416	0.9
112.03941	6.6
112.04714	2.2
112.07575	4.1
113.02335	7.8
113.06041	0.9
113.07069	1.8
116.97231	52.0
116.98586	82.0
120.07432	0.9
121.40284	0.8
122.02364	1.5
122.05994	5.4
122.07059	1.4
123.00755	1.1
123.04420	1.1
123.05543	3.0
128.03369	3.2
134.99631	100.0
135.99957	1.6
139.98802	1.8
140.00183	1.7
140.03394	14.5
140.04344	1.1
140.07027	7.7
140.08138	6.6
140.10622	1.8
140.11594	1.2
140.95123	2.5
141.01791	14.8
141.05417	2.6
141.06500	2.0
144.98251	1.1
148.18999	0.9
148.49501	0.9
148.96162	6.8
153.00684	25.3
156.02876	3.8
158.01205	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	139.1478
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	58.3
56.05013	3.3
56.05830	2.5
57.04548	12.0
57.05360	2.6
57.07067	14.6
58.02689	3.1
58.02946	42.2
69.03400	7.2
69.04549	2.7
69.06712	3.0
69.07053	39.5
70.06565	3.8
70.07377	2.9
71.06087	4.1
71.08621	2.3
71.60393	2.6
71.60856	3.2
72.08118	2.5
80.04965	2.1
81.04504	6.0
81.07012	3.1
83.04940	2.5
83.06091	2.1
83.08600	86.2
84.08120	3.7
84.08918	3.4
85.08865	2.0
86.30995	2.1
87.41222	2.1
93.04509	6.5
94.06543	5.9
95.06055	6.0
96.05576	2.4
97.07626	3.7
97.10143	13.1
98.04772	4.6
98.07156	100.0
98.98421	6.5
99.05552	29.3
107.06026	3.1
111.04419	2.6
112.03918	3.7
112.07571	4.5
121.03954	36.3
122.06117	3.8
122.07120	48.1
139.04965	16.3
139.06013	4.5
139.08607	15.9
139.09712	10.7
139.11232	4.5
139.12274	9.0
140.03389	4.8
140.07042	7.3
140.08125	48.2
140.10640	4.6
140.11728	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	139.0388
Annotation	Salicylate
Peak:m/z	Relative Intensity
53.03938	0.5
55.01857	0.9
55.05497	2.0
56.05010	0.5
56.96557	9.7
57.07084	0.4
57.93572	2.2
65.03596	0.7
65.03931	13.3
66.04281	0.5
67.05502	2.1
68.05023	0.4
69.03429	3.0
69.03737	0.5
69.07058	2.9
69.85970	2.2
69.86381	0.7
70.06571	0.5
79.05483	2.1
81.03384	0.4
81.04527	0.6
81.07024	1.0
83.04971	3.3
84.04510	0.5
91.05475	0.7
93.03386	6.7
93.04519	0.7
93.07039	4.0
94.06535	1.1
95.04954	5.5
95.08602	1.9
97.02882	0.6
97.06541	2.4
98.06049	0.5
98.97569	9.6
98.98454	4.1
109.79989	0.4
111.04429	27.1
111.08072	2.0
112.03969	0.8
112.04709	0.8
116.97219	7.7
116.98588	10.2
121.02851	100.0
121.10140	1.3
122.03192	3.6
122.06010	0.6
134.98616	0.8
134.99634	11.6
139.03882	9.9
139.05003	2.6
139.07521	2.8
139.08650	1.1
139.11165	4.8
139.12296	3.8
140.03421	2.4
140.07033	1.0
140.08087	0.4
140.10637	0.6
148.96114	0.8
153.00694	2.1
156.02982	0.5
158.01186	0.7
158.60527	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.1323
Annotation	2,4(8)-p-Menthadiene
Peak:m/z	Relative Intensity
51.02346	1.0
53.03940	8.9
54.21621	1.0
55.01857	1.4
55.05496	3.9
55.96786	1.0
57.06865	0.9
57.07071	10.8
65.03925	2.9
67.05164	1.7
67.05499	24.7
69.07056	8.6
70.25658	1.2
79.05474	11.5
81.03408	2.1
81.07049	93.5
82.07380	3.4
91.05472	54.1
92.05791	2.8
93.03403	1.6
93.05773	1.2
93.07030	36.4
94.04159	2.8
95.04967	14.5
95.08598	100.0
96.04512	1.1
96.08919	3.6
97.07426	1.2
105.04498	4.6
109.06522	11.4
109.10143	8.4
110.06000	2.3
119.04941	7.1
120.04429	2.0
121.06471	2.2
122.03593	2.8
122.07281	1.2
132.87535	1.0
137.02492	9.4
137.05942	33.5
137.06894	1.7
137.09587	5.0
137.13239	18.3
138.01733	5.5
138.05475	6.3
138.06396	2.6
138.09087	3.0
138.13576	2.4
157.55148	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.1323
Annotation	ALPHA-PHELLANDRENE
Peak:m/z	Relative Intensity
50.35854	0.4
53.03941	0.8
55.05502	2.7
57.07068	7.9
65.03934	0.8
67.05495	17.4
69.07060	7.1
70.80971	1.3
71.08645	0.7
79.05482	7.9
81.07047	100.0
82.07375	3.5
91.05480	1.6
93.07037	4.3
93.45568	0.4
94.04202	0.8
95.04957	1.3
95.08595	85.5
96.08920	3.1
101.98751	0.4
107.08532	0.6
109.06522	1.4
109.10143	5.4
110.06049	0.8
110.10490	0.6
119.08604	0.5
120.04430	0.6
121.06506	1.1
122.03635	1.5
122.07301	0.8
137.02486	3.5
137.04538	1.1
137.05908	4.6
137.09654	2.2
137.13237	15.5
138.01750	1.2
138.05479	3.3
138.06473	1.0
138.09113	1.5
138.13597	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0959
Annotation	2-Isopropylphenol
Peak:m/z	Relative Intensity
53.03930	6.1
55.01851	5.2
55.05501	11.9
57.07048	2.3
65.03921	5.6
66.04720	1.9
67.05494	87.4
67.27280	1.2
68.05823	1.7
69.03409	4.9
69.03756	1.3
69.07048	6.1
69.30164	4.0
69.30569	11.8
71.04949	2.0
79.05475	18.8
81.03403	4.8
81.07044	59.2
82.07369	1.8
83.04948	3.4
84.08101	1.7
91.05467	38.3
92.05008	8.6
92.05784	2.6
93.07036	23.2
94.04173	20.4
94.06545	2.2
95.04959	25.7
95.08592	46.4
96.04465	1.7
102.55159	1.3
107.04947	6.6
107.08585	8.4
109.02856	1.9
109.06502	38.0
109.07625	2.3
109.10142	88.4
110.06025	5.6
110.06813	3.1
110.10465	4.5
113.96348	1.5
117.06932	1.7
119.04920	5.0
119.06075	1.7
119.08565	13.4
120.04451	69.9
121.02868	2.8
121.06483	4.2
122.03641	24.9
122.04483	3.0
122.07270	28.9
135.80013	1.4
137.02493	19.2
137.05945	91.0
137.09596	100.0
137.10606	3.3
137.13222	4.4
138.01810	7.3
138.05476	18.7
138.06384	2.4
138.09099	6.2
138.09988	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	137.0957
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32501	0.5
50.34299	0.5
53.03926	1.3
55.01864	0.8
55.05483	1.1
57.07059	0.5
61.16342	0.5
65.03918	1.3
65.87603	0.5
67.05490	19.2
67.97292	0.5
69.03402	1.2
69.07043	1.5
69.35403	5.5
69.88693	0.5
78.61350	0.5
79.05482	3.7
81.03394	0.8
81.07038	10.4
91.05464	10.0
92.05803	0.5
93.07024	6.1
94.04159	1.7
94.06538	0.9
95.04971	4.2
95.05833	0.5
95.07971	0.9
95.08582	12.4
96.04451	0.6
96.97894	0.5
103.05451	1.1
107.04934	8.4
107.08579	1.0
109.06499	4.4
109.10132	26.1
110.06005	1.2
110.10450	1.0
117.06997	1.4
119.04935	0.8
119.08558	10.9
120.04496	1.0
120.08892	0.8
121.02860	0.6
121.06483	6.4
122.03650	3.2
122.07264	56.6
123.07606	2.5
129.40103	0.5
135.08022	3.1
137.02483	4.8
137.05959	11.6
137.09587	100.0
137.13211	1.5
138.01741	0.8
138.05469	3.7
138.06360	0.7
138.09036	1.1
138.09932	4.2
139.07536	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0959
Annotation	2-Isopropylphenol
Peak:m/z	Relative Intensity
51.42901	0.9
53.03930	3.9
55.01855	2.3
55.05502	6.0
57.03428	1.2
57.07062	1.7
65.03920	3.6
67.05492	53.4
68.05814	1.9
69.03407	2.6
69.07047	3.4
69.55008	6.9
79.05479	8.1
81.03395	2.6
81.07038	31.5
82.07373	1.1
83.04945	2.3
83.68761	0.8
84.08119	1.1
86.05702	0.7
91.05464	20.8
91.48672	0.7
92.05791	1.3
93.07035	10.2
94.04167	7.4
94.06535	1.3
95.04948	15.0
95.08587	26.4
103.05431	1.1
105.04477	0.9
107.04919	8.1
107.08591	4.3
108.05721	1.4
109.06497	41.4
109.10136	56.3
110.06038	2.3
110.06789	1.9
110.10493	2.0
117.06987	2.6
119.04912	1.8
119.06066	2.0
119.08562	14.6
120.04455	2.6
121.06476	4.0
122.03629	6.3
122.07260	46.7
123.07590	1.9
135.08044	1.6
137.02510	7.6
137.03497	1.5
137.05930	22.3
137.09589	100.0
137.13225	3.7
138.01743	2.1
138.05463	6.6
138.06412	1.7
138.09088	2.5
138.10039	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	137.0959
Annotation	4-Propylphenol
Peak:m/z	Relative Intensity
53.03939	1.2
55.01850	0.5
55.05498	1.1
60.61519	0.4
62.64779	0.5
65.03940	0.4
67.05499	20.4
68.05836	0.5
69.03415	1.0
69.07054	1.0
69.78993	1.7
69.79407	0.7
79.05494	2.0
80.77157	0.4
81.07046	8.5
86.46192	0.4
89.83804	0.4
91.05479	6.9
93.07044	3.6
94.04189	1.3
94.07801	0.5
94.41734	0.3
95.04968	2.0
95.08601	7.4
103.05452	0.9
104.06253	0.5
107.04939	8.5
107.08575	1.0
108.05230	0.5
109.06493	1.8
109.10143	26.4
110.06018	0.6
110.10493	1.1
117.07001	1.1
119.08567	11.0
120.08897	0.7
121.06510	4.7
122.03642	1.7
122.07272	58.9
123.07610	2.0
135.08046	2.7
137.02470	2.1
137.05966	6.2
137.09599	100.0
138.01617	0.4
138.05478	0.7
138.09207	0.5
138.09961	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	137.0596
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
51.02377	0.3
53.03927	1.3
53.59169	0.2
55.01873	0.3
55.05512	0.4
56.87320	0.3
65.03937	0.9
65.45812	0.2
66.04713	2.7
66.16101	0.3
66.61334	0.3
67.05495	3.6
69.03429	0.4
69.82556	1.6
77.03910	0.4
79.05486	2.9
80.05826	0.2
81.07043	5.3
82.07365	0.2
89.54840	0.3
91.05464	4.7
93.07016	1.7
94.04170	22.4
95.04445	0.6
95.04964	1.5
95.08591	3.9
105.03379	0.3
107.04955	2.1
109.06493	2.2
109.10133	2.0
110.06059	0.6
119.04938	0.5
119.08546	0.8
120.04414	0.5
121.06494	0.5
122.03631	39.9
122.07260	3.1
123.03963	1.4
135.04391	0.6
137.02541	2.2
137.05954	100.0
137.09570	7.2
137.13193	0.8
138.01730	0.9
138.05434	1.3
138.06303	3.8
138.09081	0.5
140.95088	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0595
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
51.02364	0.4
53.03935	2.0
55.01848	1.0
55.05506	0.7
56.96541	1.3
58.53445	0.3
65.03916	1.5
66.04706	1.8
67.05493	4.2
68.99767	0.4
69.03403	0.9
69.07042	0.7
69.79120	0.9
69.79533	1.1
70.06563	1.2
72.08137	1.0
79.05472	4.6
81.03407	0.6
81.07041	8.8
82.06538	0.4
83.04949	0.6
83.91882	0.3
84.08113	0.7
91.05465	10.0
92.05006	0.6
92.05778	0.7
93.07019	4.6
94.04166	20.8
94.06544	1.3
95.04979	2.6
95.08586	4.7
96.04474	0.7
105.03385	0.6
107.04919	1.5
109.06488	5.4
109.07617	0.4
109.10119	1.2
110.06007	1.4
112.78576	0.3
116.07060	0.4
119.04931	2.0
119.08558	0.5
120.04457	1.8
122.03625	38.5
122.07204	0.7
123.03932	1.3
131.97453	0.7
137.02490	3.6
137.05940	100.0
137.09514	2.3
137.13205	1.0
138.01730	1.5
138.05444	5.4
138.06343	4.5
138.09103	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0594
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
53.03927	1.2
55.01850	1.0
55.05492	1.0
57.07051	1.4
57.29800	0.5
65.03912	1.7
66.04715	2.4
67.05498	6.6
69.03415	0.6
69.07045	1.3
71.61775	0.8
71.62162	0.6
79.05486	4.6
81.03403	0.8
81.07042	12.8
91.05467	8.3
93.07037	4.2
94.03587	1.0
94.04173	20.6
95.04448	0.9
95.04956	2.7
95.08590	12.8
96.04478	0.6
105.03403	0.5
105.04558	0.5
107.04933	1.8
107.08595	0.5
109.06505	5.1
109.10128	4.3
110.06019	1.1
119.04923	1.8
119.08574	1.3
120.04465	1.5
121.06416	0.6
122.03631	39.7
122.07252	2.1
123.03976	1.2
135.04404	0.5
137.02524	5.1
137.05957	100.0
137.09578	8.6
137.13191	3.4
138.01744	1.7
138.05434	2.9
138.06360	4.0
138.09090	1.4
138.09999	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0594
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
53.03939	0.6
65.03924	0.9
66.04704	1.6
70.82533	1.9
77.03880	0.6
79.05489	2.9
81.07026	1.4
85.35110	0.7
91.05460	2.1
93.13013	0.6
94.04171	25.4
97.10056	0.7
109.06518	0.8
120.70339	0.6
122.03626	40.1
123.03951	2.2
137.05956	100.0
138.06264	4.2
149.45499	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0595
Annotation	Benzylformate
Peak:m/z	Relative Intensity
51.02366	1.6
51.95131	1.1
53.03706	1.1
53.03938	14.5
55.01854	2.5
55.05490	2.0
55.21869	0.9
57.07065	2.8
65.03921	4.7
66.66379	1.1
67.05489	9.9
69.07043	2.4
71.63102	2.0
77.03902	1.3
77.24197	1.1
79.05477	9.2
81.06575	2.6
81.07043	50.4
82.07373	2.1
91.05466	100.0
92.05780	3.9
93.03387	2.7
93.07029	53.8
94.04173	2.0
94.07361	1.4
95.04951	24.8
95.08590	33.7
105.04503	5.9
109.06503	14.9
109.10122	3.8
119.04928	10.1
120.63316	1.1
122.03616	2.3
137.02423	4.2
137.04820	2.2
137.05943	48.1
137.09583	3.2
137.13242	7.2
138.01729	2.3
138.05438	3.2
138.06363	1.6
138.09113	2.0
140.94998	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	136.0616
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96552	0.5
57.03418	0.5
61.02889	0.2
61.82005	0.2
65.03923	0.3
70.06584	0.2
70.15810	0.5
70.16200	0.3
82.01419	0.2
85.49179	0.2
91.05467	10.9
92.01282	0.2
92.02452	0.2
92.05795	0.4
94.04028	2.0
98.20657	0.2
99.02023	0.2
100.02460	0.7
101.00851	0.6
101.20031	0.2
107.04936	0.6
109.05108	0.4
109.06484	0.3
112.05054	0.3
113.00841	0.2
113.01794	0.2
118.03505	0.5
118.06470	0.4
119.01910	1.9
119.03541	5.5
119.04903	4.5
120.01966	0.3
131.01883	1.6
136.06161	100.0
137.02977	0.3
137.04578	4.9
137.06595	2.5
137.07607	0.2
137.07932	0.2
142.03482	0.2
149.02922	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	136.0615
Annotation	Adenine
Peak:m/z	Relative Intensity
50.86828	0.4
51.02690	0.4
69.50925	2.9
69.51321	0.7
76.69939	0.4
82.36848	0.3
88.83891	0.4
88.96995	0.4
92.02492	0.5
94.04043	2.6
109.05076	0.5
117.95805	0.4
119.03519	6.1
119.04295	0.6
119.83156	0.4
136.06157	100.0
137.04587	3.6
137.06589	2.5
152.33273	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	136.0615
Annotation	Adenine
Peak:m/z	Relative Intensity
53.03936	0.7
53.40957	0.3
55.01844	0.5
65.03944	0.4
67.05488	1.3
69.03414	0.5
69.79256	0.4
71.53970	0.7
79.02959	0.4
79.05486	1.6
80.05806	0.5
81.03385	0.6
81.07045	3.4
87.84198	0.4
90.75610	0.4
91.05467	5.9
92.05807	0.4
93.05758	0.5
93.07013	2.8
94.04098	2.8
95.04946	1.3
95.08601	1.5
107.04933	0.7
108.04449	0.5
108.08114	0.9
108.08881	0.8
109.01079	1.8
109.05128	0.5
109.06513	2.5
109.10146	1.1
118.06525	0.8
119.03547	5.7
119.04915	1.4
122.03627	2.5
122.07251	0.4
136.02148	51.5
136.06163	100.0
136.07484	4.9
136.11191	1.3
137.02472	3.4
137.04558	4.8
137.05969	8.5
137.09607	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	135.1166
Annotation	o-Cymol
Peak:m/z	Relative Intensity
53.03933	5.3
55.05492	5.3
57.07068	1.7
65.03917	3.0
66.67207	1.2
67.05487	1.8
69.03433	1.3
69.07056	2.2
69.50961	7.7
69.51373	3.8
72.08121	1.4
75.74352	1.4
79.05476	20.0
81.07028	2.8
91.05469	36.6
92.06300	1.3
93.07030	48.3
94.07379	2.2
95.04942	4.6
98.20800	3.2
103.05495	1.7
105.04476	1.5
105.07017	17.8
107.04939	7.1
107.08577	100.0
108.08899	2.2
109.01083	2.4
109.06463	7.0
117.06996	3.4
119.06030	3.1
119.08565	22.8
120.09336	5.4
135.04399	6.4
135.06567	1.5
135.08043	10.6
135.11674	56.2
136.02147	51.4
136.03804	2.2
136.06158	14.0
136.07542	5.7
136.12044	1.6
152.64536	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1167
Annotation	o-Cymol
Peak:m/z	Relative Intensity
51.92149	1.3
53.03921	4.3
55.05493	5.6
57.07068	1.6
65.03922	3.3
67.05490	2.9
71.01753	3.7
79.05482	24.8
81.07055	2.4
91.05466	41.0
93.07025	52.8
94.07322	1.7
95.04953	7.4
100.34326	1.3
104.68614	1.4
105.07013	20.8
107.04909	7.2
107.08577	100.0
108.08922	4.1
109.01083	3.9
109.06490	7.6
112.09164	1.3
115.05436	3.3
116.60449	1.2
117.07018	3.9
119.06073	2.7
119.08567	16.9
120.09345	5.7
133.10104	2.4
135.04439	13.2
135.05446	2.7
135.08061	18.6
135.09071	1.6
135.10660	3.0
135.11673	58.5
136.02145	90.7
136.03810	2.3
136.06165	33.5
136.07552	8.5
136.11133	2.2
136.12053	2.1
137.09720	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1167
Annotation	o-Cymol
Peak:m/z	Relative Intensity
53.03930	4.5
55.01876	4.6
55.05504	6.6
64.49058	0.9
65.03907	1.9
67.05492	16.0
69.03414	2.3
69.07059	5.8
69.28553	1.1
69.64155	6.5
79.05481	48.8
80.05783	1.6
81.07053	15.3
82.15820	1.0
91.05471	28.9
93.07028	60.8
94.07346	2.0
95.04958	6.3
105.04504	1.2
105.06991	7.0
107.04949	4.3
107.08574	51.9
108.04484	1.8
108.08115	1.4
108.08853	1.1
109.01074	4.3
109.06512	3.8
115.05428	4.3
117.06974	6.7
118.06533	1.4
119.03534	1.3
119.06076	2.0
119.08539	2.1
135.04407	8.7
135.05516	3.3
135.06514	1.9
135.08049	22.4
135.09032	1.0
135.11671	51.2
136.02144	100.0
136.03889	3.5
136.05139	1.7
136.06168	33.4
136.07535	8.8
136.08421	1.8
136.11134	2.0
136.12048	3.6
137.04530	1.9
143.43286	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1167
Annotation	o-Cymol
Peak:m/z	Relative Intensity
53.03924	4.0
55.01846	1.4
55.05495	5.8
57.07057	1.1
65.03921	1.0
67.05488	1.9
69.07047	2.0
69.97792	5.7
70.16059	1.0
73.09037	0.9
79.05481	18.0
80.05853	1.2
81.07042	2.1
91.04879	1.3
91.05468	42.2
93.07032	42.6
94.07316	1.3
95.04957	6.5
105.04511	1.3
105.07021	19.8
106.07339	1.1
107.04948	5.9
107.08581	100.0
108.08258	0.9
108.08871	4.1
109.06496	8.7
115.05441	2.5
117.07023	4.1
119.06068	2.5
119.08566	14.9
119.19220	0.8
120.09344	3.6
133.10121	1.7
135.04391	9.2
135.05449	1.5
135.08041	13.3
135.11668	46.2
136.02150	38.4
136.05115	1.5
136.06161	17.5
136.07532	3.3
136.08469	1.5
136.12064	1.4
136.91307	1.1
147.48276	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1166
Annotation	o-Cymol
Peak:m/z	Relative Intensity
53.03933	3.5
55.01864	1.0
55.05504	6.3
57.07084	0.9
65.03933	1.2
66.70679	0.6
67.05489	2.7
67.56776	0.7
69.03384	0.6
69.07059	2.5
74.74823	0.7
77.03906	1.1
79.05484	17.1
79.05953	1.2
80.05837	0.8
81.07050	3.6
91.05464	24.3
92.05783	0.9
93.07030	56.4
94.07343	1.4
94.07867	1.1
95.04950	5.1
105.04504	1.6
105.07021	12.0
106.07812	1.0
107.04945	2.8
107.08577	100.0
108.08920	4.0
109.01077	1.3
109.06499	5.3
119.06028	1.8
119.08573	6.2
120.09369	1.3
135.04382	5.6
135.05348	1.2
135.06493	0.9
135.08040	7.4
135.11673	28.0
136.02145	28.3
136.03807	1.2
136.05106	1.3
136.06166	14.9
136.07477	4.4
136.08450	1.1
136.12029	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1166
Annotation	o-Cymol
Peak:m/z	Relative Intensity
53.03926	4.3
55.01858	2.2
55.05504	12.2
65.03921	1.9
67.05161	1.8
67.05499	23.4
68.98110	1.2
69.07063	10.4
70.74995	3.0
70.75365	2.8
77.03933	1.5
79.05481	69.2
80.05807	2.8
80.43239	1.2
81.07046	26.5
91.05468	29.3
92.48402	1.3
93.07030	100.0
94.06746	1.5
94.07362	5.5
95.04946	11.3
103.12617	1.5
105.04524	2.0
105.07020	8.6
107.04930	3.8
107.08581	89.8
108.08867	3.6
109.01101	2.5
109.06509	5.5
118.04050	1.3
119.06055	1.8
121.71957	1.3
122.02631	1.6
135.04370	7.3
135.08070	17.6
135.11673	86.8
136.02142	60.6
136.03738	1.6
136.06169	12.8
136.07477	2.4
136.11127	1.4
136.12025	6.0
137.04529	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1167
Annotation	o-Cymol
Peak:m/z	Relative Intensity
53.03938	8.1
55.01847	4.6
55.05503	13.4
65.03909	2.2
67.05160	2.4
67.05494	29.8
69.07053	10.7
70.01885	6.7
76.52274	1.2
79.05483	71.5
80.05820	3.4
81.07042	15.5
81.60594	1.5
86.50999	1.2
91.05463	32.1
93.07029	100.0
94.07347	3.2
95.04949	9.9
98.21506	1.5
105.04506	3.4
105.07015	9.4
107.04953	11.1
107.08578	72.1
108.08944	4.1
109.01093	2.1
109.06522	3.2
115.05424	3.8
117.07000	6.5
119.03458	1.3
119.06026	1.4
119.08598	2.6
127.89032	1.5
135.04395	13.0
135.05409	2.9
135.08049	32.4
135.11671	83.6
136.02139	79.0
136.03793	3.0
136.05122	2.1
136.06152	21.2
136.07515	2.1
136.08434	1.6
136.11145	2.6
136.12059	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0803
Annotation	Indan-1-ol
Peak:m/z	Relative Intensity
53.03926	2.9
55.01854	2.8
55.05489	2.6
56.19188	0.7
65.03922	2.0
67.05483	2.4
69.03424	4.4
69.07043	1.5
69.54579	6.2
79.05481	22.7
80.05028	0.6
80.05814	1.3
81.07030	1.4
89.03883	1.4
91.05468	29.3
92.06267	0.9
93.05752	1.0
93.07027	18.0
95.04956	5.4
95.97612	0.6
98.21558	1.3
103.05420	0.8
105.04533	1.0
105.06364	1.1
105.07016	11.5
107.04943	7.4
107.08581	36.8
107.90990	0.7
108.04440	1.4
108.08127	1.0
108.08927	1.2
109.01081	4.4
109.06494	6.0
115.05426	6.5
117.07003	8.2
119.03539	1.0
119.06046	2.0
119.08566	2.2
120.09298	0.6
121.01516	0.9
135.04399	10.9
135.05513	3.0
135.06485	1.3
135.08032	25.8
135.09088	1.3
135.11670	10.6
136.02147	100.0
136.03883	2.8
136.05023	2.0
136.06168	27.0
136.07541	6.6
136.08415	1.4
136.11160	2.5
137.04543	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0803
Annotation	Indan-1-ol
Peak:m/z	Relative Intensity
51.06395	0.7
51.80655	0.7
53.03928	2.9
53.71612	0.8
54.20603	0.8
55.01865	11.0
55.05487	1.1
57.03426	1.0
58.44363	0.7
59.07097	0.7
59.14857	0.7
65.03918	5.3
67.05492	6.0
69.03420	11.6
69.07049	2.1
71.02367	1.8
79.05479	40.0
80.04979	0.9
80.05804	1.2
81.03378	1.2
81.07022	2.7
89.34759	0.7
91.05467	60.1
92.05772	1.7
92.06276	1.6
93.05753	1.4
93.07030	20.4
94.07388	0.8
95.04944	7.5
105.04466	1.1
105.07015	24.1
107.04948	7.4
107.08575	64.6
108.04449	1.0
108.08173	1.1
108.08904	2.5
109.01107	4.6
109.06499	13.2
115.05439	19.5
117.07001	20.5
118.06562	1.3
118.07359	1.1
119.03531	1.2
119.05312	0.7
119.06015	4.4
119.08552	2.5
120.05711	0.9
135.04391	8.1
135.05502	2.4
135.06473	1.4
135.08034	51.4
135.11667	11.6
136.02141	100.0
136.03893	3.4
136.05058	1.9
136.06165	34.2
136.07526	5.7
136.08430	2.1
136.11194	2.0
136.12091	1.0
137.04619	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	134.0449
Annotation	L-Aspartate
Peak:m/z	Relative Intensity
56.96549	0.7
57.03428	4.6
58.99874	0.4
61.02916	1.0
69.03432	1.3
69.64469	2.0
70.02945	3.3
70.06618	0.3
71.06918	0.5
72.52973	0.5
73.02912	2.1
74.02430	100.0
75.02776	1.2
77.52181	0.4
78.52943	0.8
79.51875	0.3
80.52676	0.4
81.03398	0.5
82.01445	0.5
85.02931	0.7
85.51895	0.3
85.53746	0.5
86.52679	3.6
87.02781	0.4
87.53459	0.4
88.02687	1.3
88.03978	61.6
88.52767	0.2
89.01685	0.3
89.04317	0.8
91.53713	0.3
92.52708	0.3
93.01875	0.4
93.53469	1.0
95.53214	2.1
96.03335	0.3
97.03187	0.6
99.53449	0.8
100.02475	3.3
101.00883	2.5
101.53220	0.5
102.02383	2.1
109.02874	0.4
111.02910	2.3
113.00842	0.4
113.53142	0.8
114.03334	0.4
115.02402	0.9
116.03436	7.1
118.03500	1.9
119.01908	6.2
119.02646	0.2
120.01985	0.7
121.01621	0.8
122.53663	0.7
124.02438	1.2
131.01909	2.6
131.54210	0.4
132.01979	0.3
133.03432	0.9
134.04459	3.1
137.02950	1.3
137.49965	0.7
137.99974	0.3
142.02417	0.5
142.03487	8.1
143.01857	1.0
143.03580	1.0
144.01953	0.3
144.03183	0.3
145.03435	0.7
147.01337	0.5
147.04962	0.5
149.02878	0.6
154.03490	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1011
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
51.25753	0.3
53.00358	0.3
53.03934	1.1
55.05493	2.3
63.04575	0.4
65.03944	0.6
67.05486	0.6
69.03396	0.3
70.06577	0.8
71.62541	0.5
73.06152	0.3
73.06558	0.4
74.02438	3.2
79.05476	5.3
87.05563	0.8
87.80457	0.3
88.02213	0.7
88.03982	1.5
91.05466	17.5
92.05782	0.4
93.07027	4.3
95.04952	1.1
97.02881	0.4
97.78179	0.3
99.16881	0.4
103.05441	2.2
105.03405	0.8
105.07014	59.1
106.06537	1.1
106.07355	2.3
107.08556	0.9
112.02190	0.7
113.02896	0.5
115.05432	4.6
116.06219	0.4
117.07006	5.3
118.07790	5.8
123.07939	1.0
123.35182	0.3
131.08545	7.8
132.08858	0.7
133.02937	0.4
133.06519	6.1
133.10110	100.0
134.05992	2.3
134.06914	0.6
134.09515	0.6
134.10440	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	133.101
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
53.03932	0.6
55.05503	1.3
55.20617	0.3
58.33689	0.3
65.03915	0.4
65.64153	0.3
67.05494	0.4
69.30771	0.3
70.06583	0.3
71.61913	0.5
71.62293	0.3
74.02422	1.1
79.05473	3.2
87.05581	0.3
88.03993	0.5
91.05466	11.9
92.05765	0.6
93.07028	3.4
95.04955	0.7
103.05470	1.5
105.07016	31.6
106.07347	1.4
106.15856	0.2
107.08583	0.6
115.05423	3.6
116.06210	0.6
117.07003	4.0
118.07788	5.1
123.07944	0.8
129.07043	0.3
131.08556	4.5
133.10112	100.0
134.09514	0.5
134.10443	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	133.101
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
53.03915	0.5
55.05484	1.7
59.87624	0.6
70.06570	1.7
70.18160	1.3
70.18579	1.2
74.02440	5.1
79.05493	4.1
81.04526	0.7
84.08130	0.6
87.05581	0.8
87.10033	1.2
88.02219	1.7
88.03970	2.0
91.05469	12.3
93.07025	3.1
95.04988	1.3
95.42581	0.5
97.02866	0.7
98.20863	0.6
103.05441	1.8
105.07018	40.3
106.07348	1.2
107.08567	1.3
112.02197	2.6
113.02991	0.9
115.05446	3.5
115.16876	0.6
117.07018	4.2
118.07774	4.7
119.86354	0.5
123.07939	3.5
131.08546	5.5
133.02826	0.7
133.06647	3.8
133.10112	100.0
134.06029	1.6
134.09647	0.7
134.10461	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	133.0646
Annotation	2-Indanone
Peak:m/z	Relative Intensity
53.03933	1.1
55.01862	2.7
65.03925	0.4
65.55110	0.3
69.03423	0.5
69.70155	0.6
69.70564	1.4
70.06574	2.1
74.02441	2.1
79.05480	8.4
80.05817	0.5
81.04546	0.5
81.23598	0.3
87.10021	1.2
88.02203	1.1
88.03979	0.7
91.05473	2.6
95.04955	1.7
97.02882	0.4
102.49334	0.3
103.05450	6.0
104.05750	0.5
105.07012	70.5
106.06613	0.5
106.07351	2.7
107.04925	0.8
110.26830	0.3
112.02177	1.1
113.02985	0.4
115.05435	3.8
116.03439	0.3
116.07027	0.7
118.04151	0.7
123.07948	1.6
131.04909	1.2
131.08510	0.3
133.06471	100.0
133.10091	3.9
134.05965	0.7
134.06828	3.6
134.09564	0.6
144.04774	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1007
Annotation	Tetralin
Peak:m/z	Relative Intensity
51.94075	0.4
55.05515	0.6
57.77279	0.3
65.03923	0.9
71.63557	0.5
74.02438	0.6
78.04691	0.7
79.05483	1.9
79.48933	0.3
82.49751	0.3
83.71522	0.3
87.10048	0.3
88.02206	1.1
91.05467	100.0
92.05794	4.2
103.05466	1.4
104.06236	14.2
105.07019	20.7
117.07039	0.6
118.07788	0.6
131.08556	1.0
133.06458	1.4
133.07576	0.9
133.10109	25.2
134.05956	0.9
134.06963	0.4
134.10455	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0316
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.3
54.03458	0.2
55.01861	0.6
55.04246	0.2
55.05511	0.2
56.05022	0.7
56.96551	1.7
57.03425	2.5
57.05357	0.2
57.05798	0.3
58.06140	0.2
58.06588	0.3
58.99578	2.3
58.99852	0.2
59.06924	0.3
59.52182	0.3
59.96722	0.5
60.02212	0.1
60.95848	0.2
61.01138	15.8
61.02908	0.2
62.01101	0.1
62.01465	0.1
65.52178	0.1
66.52955	0.2
67.05497	0.1
68.02631	0.2
68.05828	0.2
68.52705	0.1
69.03419	0.6
69.07053	5.7
70.02931	0.2
70.06587	1.6
70.07386	16.8
70.99534	0.1
71.01340	0.2
71.02971	0.2
71.04979	0.3
71.07719	0.2
71.60966	0.1
72.00347	0.5
72.08140	0.3
72.52938	0.4
72.93764	0.1
73.02899	1.2
73.06564	0.1
74.02425	3.8
74.06064	1.8
74.06873	0.2
74.97625	0.1
74.99051	1.0
75.02689	1.1
75.04482	0.1
77.00566	0.9
78.52946	0.4
78.53364	0.1
79.02185	0.1
79.03031	0.1
79.05482	0.2
81.03410	0.3
81.04535	0.9
81.53468	0.1
82.01426	0.2
82.05307	0.3
83.01304	0.2
84.01556	0.4
84.04487	0.1
84.08125	0.1
84.52919	0.1
85.01112	1.9
85.02888	3.1
85.53722	0.2
86.01894	0.1
86.09692	25.8
86.52682	1.0
87.02679	22.4
87.04449	0.3
87.05580	1.0
87.09451	6.7
87.10015	100.0
88.02561	0.5
88.03030	0.3
88.03957	1.0
88.09766	0.1
88.10352	0.9
89.00768	0.2
89.04227	0.3
90.09171	0.3
91.02129	0.6
91.05442	0.1
92.52693	0.2
93.01981	0.4
93.53475	0.2
94.52449	0.2
95.53197	0.4
96.01479	0.1
97.02310	0.1
97.02863	0.5
98.01259	0.2
98.06034	0.1
98.52667	0.2
98.97566	0.2
99.04433	0.1
99.53452	0.2
100.02464	1.9
100.52399	0.6
101.00842	0.6
101.02418	0.2
101.53197	0.2
102.02367	0.5
102.09143	0.2
103.01413	0.1
103.02399	0.4
103.03952	0.1
104.52645	0.1
105.00062	1.4
105.02055	0.2
105.03716	1.0
105.07011	0.2
106.02850	0.3
106.06572	0.1
107.53175	0.1
109.02828	0.2
109.52928	0.2
110.01301	0.1
111.02828	0.4
112.02168	2.1
112.02918	0.1
113.02271	0.1
113.02960	1.1
113.53162	0.3
115.02251	0.3
115.52930	0.1
116.00220	0.1
116.03423	0.3
116.07056	0.5
116.98582	0.1
118.02655	0.1
118.03503	1.7
119.01896	4.8
119.02635	0.2
120.01997	0.2
120.03305	0.2
121.01595	0.2
121.03476	0.5
122.07116	0.1
122.53701	0.3
123.07910	3.1
124.02388	0.3
124.05453	0.2
124.08247	0.1
126.03860	0.1
127.03880	0.1
131.01888	0.9
132.05009	0.1
132.90453	0.2
133.03171	8.5
133.05905	1.0
133.07549	0.2
133.10553	1.7
134.03444	0.2
134.06013	0.3
134.08075	0.2
134.11729	1.3
134.99681	0.1
137.02921	2.2
142.03473	2.5
143.03960	0.2
144.04736	0.8
145.03384	0.2
147.04947	0.2
149.01170	0.3
149.02917	0.2
150.96834	0.3
151.04472	0.5
154.03426	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0283
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	3.9
53.03930	8.4
55.01864	1.9
55.05511	3.4
69.03401	5.6
70.06576	4.9
71.61580	2.9
72.28481	1.5
73.02907	1.7
74.02428	20.0
77.03923	22.2
79.05479	7.0
81.04525	3.0
82.56383	1.8
86.09643	1.6
87.05580	5.4
87.10019	5.6
88.02178	3.9
88.03968	7.2
91.05474	20.3
93.07021	3.7
95.04956	13.9
97.02877	4.6
102.40667	1.6
103.05466	3.1
105.03380	33.5
105.04490	2.7
105.07018	69.2
106.07317	2.4
112.02164	10.0
113.02969	4.7
115.05447	5.4
117.07018	3.4
118.07780	5.7
123.07928	13.0
131.08542	8.1
133.02835	100.0
133.06454	21.7
133.07558	3.8
133.10112	61.4
134.03169	5.8
134.06021	4.8
134.07068	3.2
134.09602	2.7
134.10489	2.3
144.04800	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	133.0283
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02363	4.9
53.03938	9.7
54.03466	2.0
55.01850	4.3
55.04222	1.5
55.05492	1.2
56.96554	12.3
57.03416	2.4
58.73842	1.1
61.01126	3.8
61.02902	1.5
67.05493	1.8
69.03418	10.5
70.02942	1.6
70.03723	1.0
70.06581	9.2
70.07385	3.5
71.01328	2.9
71.04972	2.8
71.21226	2.8
72.93752	1.9
73.02899	8.0
73.06537	5.7
74.02426	87.1
74.06047	1.6
77.03915	25.1
79.01857	1.3
79.05472	4.7
81.03405	2.1
81.04519	11.1
82.05301	4.1
84.01551	2.3
85.01108	1.2
85.02893	1.7
86.09682	9.4
87.02679	2.3
87.04451	2.7
87.05576	15.0
87.09460	2.5
87.10018	35.3
88.02180	6.6
88.03973	35.2
88.07636	1.6
89.00641	2.0
91.04990	1.2
91.05472	8.5
92.90029	1.3
93.02066	2.6
93.07063	1.5
95.04945	17.9
96.01578	1.5
97.02284	1.7
97.02866	14.5
98.01203	1.6
98.97534	1.4
100.02471	1.1
101.00721	1.1
103.05437	2.1
104.01331	1.2
105.01973	1.1
105.03374	34.5
105.04496	4.4
105.07011	29.1
106.03740	1.8
106.06508	3.1
107.04911	1.2
110.01228	2.3
112.02159	21.6
113.02979	11.4
115.03947	1.4
115.05427	2.0
116.03436	7.6
116.07036	3.1
119.01855	1.7
122.07171	1.3
123.07909	29.8
124.05438	2.1
124.08311	1.3
126.03729	1.9
131.08496	2.3
132.95836	1.1
133.02827	100.0
133.06418	11.7
133.07596	8.0
133.10106	19.4
134.03165	3.5
134.04436	2.7
134.05983	11.3
134.07016	1.9
134.09615	2.0
143.04016	1.6
144.04771	8.6
150.96849	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	133.0282
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01571	2.0
51.02365	4.6
53.03936	10.6
55.01862	3.4
55.05486	0.7
56.96537	1.5
65.03909	1.3
67.05490	0.9
69.03414	6.7
69.07036	1.7
70.02960	0.9
70.06593	4.6
70.06923	1.1
70.07404	0.9
70.95847	1.5
71.01328	1.7
71.04958	1.4
73.02903	4.4
73.06530	3.6
74.02427	25.0
74.06043	0.9
77.03918	24.6
78.04253	1.1
79.01834	1.7
79.05492	4.0
81.03403	0.8
81.04518	3.0
82.05308	1.1
86.09682	1.4
87.02713	0.9
87.04433	0.9
87.05569	5.1
87.10027	8.5
88.02180	3.5
88.03530	0.8
88.03982	7.4
89.24033	0.7
91.05466	6.2
92.90067	1.1
93.07018	0.9
95.04950	14.6
97.02893	7.2
100.83501	0.7
103.05451	2.2
103.50700	0.8
104.04964	0.7
105.03374	30.8
105.04478	5.0
105.05312	4.9
105.07008	27.2
106.03705	0.8
106.06525	2.2
106.07288	1.2
112.02174	5.6
113.02969	3.3
115.05418	2.1
116.03424	2.1
116.07062	1.8
118.07769	1.2
123.07894	10.3
131.08597	0.9
133.02831	100.0
133.04813	14.7
133.06459	14.4
133.07573	3.9
133.10100	14.4
134.03136	5.2
134.05995	4.7
134.06944	1.1
134.09636	1.7
143.03937	0.8
144.04726	2.3
150.96916	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0854
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50727	0.9
53.03925	1.1
56.05013	0.8
57.07054	0.9
60.88456	0.8
65.03899	0.8
67.29440	0.8
69.03407	1.7
69.07036	1.3
70.03751	1.5
71.06364	2.0
72.04475	1.2
83.60719	0.8
84.04481	1.4
84.84737	0.8
85.02886	1.1
85.04818	2.8
85.08470	1.7
86.06075	1.4
86.09689	18.3
86.75147	0.9
91.05466	66.5
91.68513	0.9
92.05811	2.3
98.21403	1.0
103.05454	11.2
113.02377	1.1
113.07915	6.3
115.05454	4.2
116.06226	16.9
129.06114	1.4
129.06985	12.1
131.04837	2.1
131.08542	100.0
131.16217	2.3
132.06522	1.0
132.08034	2.7
132.08907	4.9
139.79539	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	132.1018
Annotation	L-Norleucine
Peak:m/z	Relative Intensity
53.44840	0.4
59.66871	0.3
60.68230	0.3
69.07051	1.0
71.16774	0.9
71.54109	0.4
78.51329	0.3
83.65211	0.3
86.09689	100.0
87.10006	3.1
100.78232	0.3
132.10175	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.049
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	0.3
53.03939	1.9
53.57399	0.2
61.21980	0.2
71.56541	0.3
71.56886	0.3
77.03926	0.7
86.09692	0.2
95.04955	4.2
95.32946	0.2
102.04665	1.0
103.05455	100.0
104.05785	4.0
105.04500	0.7
118.06532	0.2
122.60292	0.2
131.04912	17.9
132.05219	0.9
134.18007	0.2
139.55309	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.049
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.1
57.03420	0.4
69.03413	0.5
69.07058	0.6
70.03755	0.5
72.04483	0.2
73.21220	0.2
77.03917	0.5
81.03422	0.3
84.04491	0.2
84.08121	0.3
85.02892	0.4
85.04240	0.2
85.04817	0.7
85.08450	0.6
86.09686	3.8
91.05469	0.7
95.04948	3.7
102.04677	0.6
103.05449	100.0
104.05778	5.0
105.04491	0.8
107.66813	0.2
112.15710	0.2
113.02320	0.2
113.07909	3.1
131.04906	19.3
131.06898	0.7
131.08899	1.0
131.16261	0.5
132.05281	0.8
132.08090	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.049
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02351	0.3
53.03941	2.2
64.07612	0.3
69.94427	1.6
77.03909	0.8
95.04959	2.7
95.43931	0.3
102.04677	0.9
103.05453	100.0
104.05781	4.3
105.04520	0.7
109.97260	0.3
114.79773	0.3
131.04909	19.4
131.08923	0.3
132.05209	0.8
136.00475	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.049
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	0.2
53.03944	1.4
57.03437	0.3
69.03431	0.3
70.03755	0.5
70.22575	0.6
70.22989	0.5
77.03906	0.6
85.02924	0.2
85.04798	0.3
85.08472	0.4
86.09692	1.8
91.05450	0.4
95.04949	4.3
102.04662	0.9
103.05452	100.0
103.46456	0.2
104.05777	4.8
105.04501	0.8
113.02315	0.2
113.07913	1.8
131.04907	17.3
131.08757	0.4
132.05234	0.8
132.06575	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	130.0498
Annotation	DL-Pyroglutamic acid
Peak:m/z	Relative Intensity
53.90831	0.4
56.05024	5.4
56.96556	0.7
57.03431	0.5
57.07067	0.5
67.05479	0.5
68.23576	0.4
69.03416	10.2
69.07059	1.7
70.00080	2.2
70.06583	4.2
71.04990	0.5
75.76742	0.4
75.79662	0.3
78.79577	0.4
82.06541	0.5
84.04491	100.0
84.08128	76.8
85.02897	4.3
85.04799	1.9
85.08456	2.3
86.09707	0.4
95.01304	0.7
98.97603	0.6
102.05511	2.2
106.02849	0.5
107.75591	0.4
109.24161	0.4
112.07584	34.3
113.02285	0.5
113.07949	1.0
114.09108	0.4
121.62606	0.4
130.04979	20.0
130.08618	29.6
130.15842	0.5
131.03381	0.4
131.05295	0.5
131.08994	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	129.0698
Annotation	Naphthalene
Peak:m/z	Relative Intensity
55.01863	1.1
55.05505	0.9
56.05000	0.8
57.03429	1.0
57.07056	1.3
69.03419	5.2
69.07066	2.0
69.07355	0.4
70.06596	0.9
71.04968	0.6
74.09697	1.5
82.06563	0.6
83.04966	1.6
84.04491	11.3
84.08130	6.6
85.02894	0.9
86.09705	0.5
97.02880	0.4
98.20747	0.8
103.05471	3.2
111.04409	0.6
112.07593	13.3
115.05444	0.8
117.06987	0.5
126.66720	0.4
127.05441	1.9
128.06209	66.6
129.01877	2.2
129.07007	100.0
130.04993	1.4
130.06499	4.0
130.07353	4.5
130.08633	5.0
130.15910	4.1
145.06453	8.5
145.07475	0.7
145.88852	0.4
146.06827	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	125.1074
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74801	0.1
53.04712	0.1
54.92168	0.1
61.86015	0.1
68.05009	0.4
70.43751	0.3
70.44166	0.2
77.03525	0.1
80.04996	0.2
97.07637	7.7
100.04642	0.1
102.02224	0.6
110.04767	0.4
110.46191	0.1
114.80667	0.1
118.95821	0.1
120.01963	0.8
120.03251	0.2
121.01655	0.3
122.02397	0.1
123.09238	0.1
125.10733	100.0
125.88541	0.1
126.11100	2.3
138.03050	0.3
139.02748	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	125.1324
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03897	0.5
54.03438	0.8
55.05502	8.2
56.05026	5.0
57.04528	1.1
57.07063	3.3
58.06588	3.1
59.06116	8.7
67.02942	0.7
67.05464	0.8
68.05017	10.0
69.03380	0.9
69.04503	0.6
69.07056	47.3
70.06584	4.1
70.07363	1.6
71.06082	0.7
71.63480	0.4
71.63965	0.7
79.05459	0.9
80.04990	2.5
81.04523	3.0
81.05284	1.0
81.06998	0.5
82.06564	8.4
83.02422	0.5
83.06091	31.1
83.08602	10.0
84.04487	6.4
84.05609	5.6
84.06412	5.8
84.06876	0.5
84.08127	4.5
84.08877	0.6
85.04021	4.3
85.07655	6.3
86.08428	2.4
94.64475	0.4
95.06040	0.8
95.46971	0.4
96.06846	0.5
96.08057	1.4
97.02876	3.4
97.07642	4.7
98.05992	1.7
98.07153	2.2
98.07823	0.4
99.09171	1.5
103.56223	0.5
107.06011	0.7
107.08528	0.5
108.04458	3.6
108.05563	0.8
108.06297	0.5
108.08060	0.9
109.03933	0.4
109.07629	9.4
110.08363	0.6
111.07909	0.5
112.06294	0.9
125.02293	1.7
125.03532	0.8
125.04335	3.7
125.05959	1.2
125.07053	9.2
125.08225	29.2
125.08981	100.0
125.10673	24.0
126.05437	10.1
126.06553	8.4
126.07593	1.2
126.09217	3.7
126.10247	28.5
126.11108	1.5
126.12667	0.7
130.71651	0.5
131.29042	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	125.1074
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96550	0.4
59.38086	0.1
68.05013	0.5
70.06583	0.1
70.16801	0.1
70.59195	0.1
71.47066	0.2
72.02798	0.1
82.68569	0.2
84.01167	0.2
84.08124	0.2
97.02885	0.3
97.07639	7.3
97.27958	0.1
98.07966	0.2
100.02484	0.1
102.00964	0.3
102.02223	1.9
108.04431	0.1
111.53632	0.5
119.01897	0.4
120.01991	2.1
120.03220	0.9
120.08172	0.2
121.01638	1.2
125.02401	0.2
125.10734	100.0
126.10341	0.3
126.11099	2.4
138.03041	1.0
139.02684	0.6
143.03606	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	125.1073
Annotation	Unknow
Peak:m/z	Relative Intensity
54.77659	0.1
68.05012	0.3
69.51600	0.7
69.52025	0.4
70.06570	0.2
80.04987	0.2
82.05296	0.3
82.06668	0.1
92.41884	0.1
97.07637	7.6
98.07926	0.2
109.04001	0.2
109.29671	0.1
110.04765	3.3
120.03233	0.1
121.01649	0.2
125.07134	2.6
125.10730	100.0
126.06606	0.3
126.11102	3.3
133.03458	0.1
144.71797	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	125.0596
Annotation	Orcinol
Peak:m/z	Relative Intensity
51.47058	0.7
53.03945	5.0
55.01873	0.8
55.05507	1.1
55.65138	0.8
69.03426	0.9
69.07058	2.2
79.05484	100.0
80.05826	3.3
80.32121	0.7
81.07047	37.7
82.07378	1.3
83.04980	1.3
84.52641	0.7
95.04947	5.7
97.06518	18.7
98.06874	0.7
105.04504	1.6
107.04945	7.8
111.69184	0.7
115.03587	0.6
125.04316	1.1
125.05980	12.0
125.10749	1.1
126.05528	1.0
137.01550	0.7
141.14696	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.1169
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01604	0.4
53.03930	4.5
55.01863	0.8
55.05502	3.5
57.07069	1.2
65.03938	0.6
67.05494	18.4
67.19601	0.3
68.05017	1.1
68.05849	0.4
69.03436	0.4
69.07059	1.0
69.84350	1.4
69.84754	0.9
75.35297	0.3
77.03925	0.6
78.03442	1.0
79.01846	1.1
79.04315	0.3
79.05480	7.3
79.05894	0.6
80.05003	26.6
81.03416	1.0
81.07043	45.9
82.01428	0.7
82.06557	0.6
82.07373	1.3
91.05479	0.4
93.07037	1.4
95.04952	50.4
95.08593	8.0
96.04478	14.4
96.05259	1.8
96.08118	1.1
100.02469	5.8
101.02515	0.6
105.03344	0.7
105.04491	2.1
105.07029	0.8
106.02878	1.7
108.05718	2.0
111.05513	0.6
112.03946	9.0
118.03510	6.2
119.01900	0.8
119.03582	0.6
121.10135	0.4
123.04416	17.6
123.05513	100.0
123.08026	18.3
123.09053	1.1
123.11678	9.0
124.03931	59.6
124.05830	4.4
124.07548	3.1
124.08431	0.9
124.12035	0.4
137.02910	0.8
139.04991	0.5
140.03397	6.4
141.04980	0.5
141.88147	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0804
Annotation	4-Ethylphenol
Peak:m/z	Relative Intensity
51.02369	0.6
53.03932	6.6
55.01867	1.6
55.05503	10.7
57.07071	2.6
65.03929	1.9
67.05489	48.6
68.05010	1.0
68.05828	1.5
69.03410	1.1
69.07052	0.9
71.57308	0.9
77.03918	2.0
78.03436	1.1
79.01824	0.6
79.05475	11.4
80.05000	26.6
80.06277	0.7
81.03410	1.7
81.05367	0.9
81.05782	1.4
81.07038	46.0
81.40443	0.6
82.01449	1.1
82.07378	1.6
91.05471	1.4
93.07023	8.9
94.06576	0.7
95.04946	68.6
95.08584	59.4
95.12548	0.5
96.04473	15.9
96.05274	2.9
96.08105	3.9
96.08910	2.6
97.04857	0.6
100.02467	5.9
105.03371	1.3
105.04494	2.2
105.07013	4.1
106.02856	1.8
106.06528	0.9
107.04955	0.7
108.05717	6.7
109.73448	0.5
111.05572	0.7
112.03934	6.3
118.03488	4.2
119.01918	1.1
121.06507	1.0
123.04420	30.8
123.05524	100.0
123.08031	36.8
123.11672	18.7
124.03926	61.9
124.05851	4.2
124.07554	7.3
124.08419	2.3
124.11990	0.9
137.02917	0.6
140.03412	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	123.0441
Annotation	4-Hydroxybenzaldehyde
Peak:m/z	Relative Intensity
50.01579	0.6
51.02367	2.0
53.03938	4.1
55.01860	0.9
55.05489	0.7
57.07041	0.4
64.14002	0.3
65.03913	0.5
67.05163	0.5
67.05496	7.5
68.12209	0.3
70.98405	0.5
70.98740	0.7
77.03914	5.8
79.05483	3.4
80.05005	7.1
81.03360	0.4
81.05782	1.0
81.07049	5.6
82.01451	0.4
82.06540	0.4
93.07016	0.7
95.04953	23.1
95.08588	5.3
96.04481	3.7
96.08110	2.7
100.02481	1.9
101.02545	0.4
105.03366	8.4
105.04448	1.7
105.05125	0.4
105.07021	0.6
106.06507	0.4
108.05715	1.5
112.03927	1.6
118.03487	1.3
121.06522	0.5
123.04405	100.0
123.05507	28.9
123.08006	6.7
123.11697	1.4
124.03922	14.1
124.04756	3.0
124.05837	1.1
124.07568	4.6
140.03369	1.1
140.18216	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0441
Annotation	Tropolone
Peak:m/z	Relative Intensity
50.01571	0.4
50.03204	0.2
51.02368	2.0
53.03936	3.5
54.50599	0.3
55.01861	0.7
55.05495	0.3
56.82568	0.2
56.96551	0.9
65.03925	0.5
67.05495	5.3
68.05019	0.3
70.06584	0.3
70.74146	0.5
70.74500	0.4
72.08142	0.4
77.03915	5.2
78.03446	0.4
78.06312	0.4
79.05477	1.0
80.05004	10.2
81.03422	0.4
81.04522	0.2
81.07069	1.1
82.01420	0.5
82.94765	0.3
84.08123	0.5
88.22838	0.2
90.38260	0.2
91.00486	0.3
95.04957	12.5
95.08589	0.6
96.04482	3.9
96.05280	0.4
100.02472	4.5
101.00813	0.2
105.03380	8.4
105.04450	1.7
106.02908	1.0
106.03617	0.3
109.02827	0.2
112.03951	1.0
117.10186	0.3
118.03511	3.7
119.01915	2.7
119.03658	0.2
123.04420	100.0
123.05521	41.6
123.08027	1.3
123.11694	0.5
124.03934	8.8
124.04768	2.8
124.05885	1.2
124.07547	0.3
124.08643	0.2
137.02953	1.3
140.03409	0.8
142.03523	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.044
Annotation	4-Hydroxybenzaldehyde
Peak:m/z	Relative Intensity
51.02364	0.6
51.50434	0.2
53.03937	7.7
55.01852	0.6
63.33179	0.2
65.03925	0.3
67.05490	3.3
69.67194	0.5
69.67596	1.6
73.58842	0.2
73.91624	0.3
77.03909	1.4
78.03436	0.5
79.05487	1.2
80.05003	6.6
81.03397	0.9
81.07036	3.1
93.07020	0.4
95.04951	100.0
95.08578	1.5
96.04477	3.3
96.05280	3.3
98.20668	0.3
100.02451	1.3
105.04491	3.5
105.07027	0.3
106.02884	0.3
108.05732	0.7
111.05579	0.2
112.03960	1.9
118.03455	1.3
119.01949	0.3
123.04419	29.7
123.05530	25.3
123.08009	3.9
123.11687	1.0
124.03931	11.5
124.04724	1.0
124.05863	0.6
124.07549	0.5
135.56007	0.3
140.03392	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0405
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.8
55.01858	0.6
55.86437	0.5
56.96557	1.1
57.03431	0.5
58.99854	0.6
59.57536	0.4
61.02911	0.6
64.78880	0.4
65.01167	0.5
67.05486	0.9
70.77873	1.4
71.02985	0.9
72.08125	0.6
77.00894	0.9
78.03442	1.0
78.52985	0.5
79.05506	0.5
80.05006	25.8
81.01891	1.0
81.03400	0.5
82.01431	9.6
83.01527	0.8
84.08102	0.9
88.02625	0.6
91.00511	0.7
93.53441	0.6
95.04964	4.0
96.04482	8.3
97.02974	0.4
100.02470	55.6
101.00858	5.9
101.02533	3.4
105.04500	0.7
106.02866	2.8
112.03923	0.6
118.03506	37.7
119.01908	29.7
119.03593	2.5
123.05537	100.0
124.03937	9.3
124.05906	2.7
124.07508	0.6
130.75681	0.5
131.01883	1.5
137.02939	12.7
140.03403	0.9
141.05064	0.9
142.03448	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0403
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99857	1.7
70.83256	1.8
75.66343	0.7
77.00892	1.0
82.01431	17.7
100.02467	100.0
101.00844	3.8
101.02543	5.3
118.03503	66.6
119.01901	34.5
119.03599	3.6
123.04082	2.3
137.02934	15.6
141.05067	2.2
142.03432	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	123.0403
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38572	1.0
53.03395	1.0
55.01844	1.0
57.03407	1.5
58.99850	2.6
61.02892	1.3
67.05492	1.5
69.03402	2.5
70.34698	3.8
72.08143	1.3
77.00906	2.1
77.38265	1.1
78.03436	4.5
78.06319	3.2
79.10441	1.1
80.05005	23.6
81.03403	1.8
82.01424	12.8
84.08116	3.4
88.02658	1.4
93.53448	1.0
95.04961	7.7
96.04479	12.4
97.02848	2.0
100.02467	81.7
101.00854	5.1
101.02565	4.1
102.02285	1.7
106.02889	9.5
109.02866	1.7
109.76070	1.0
112.02762	1.2
115.02417	1.6
117.10231	1.9
118.03503	65.4
119.01907	19.2
119.03576	3.3
120.83290	1.0
123.05531	100.0
124.03935	48.4
124.05880	2.1
131.01883	3.6
137.02934	5.6
141.05048	2.2
142.03479	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	121.1012
Annotation	2-Ethyltoluene
Peak:m/z	Relative Intensity
51.02357	2.0
53.03940	13.6
54.24683	0.9
55.01859	2.1
55.05492	3.8
61.46880	1.0
65.03925	1.9
67.05496	8.5
69.70109	6.4
77.03911	3.3
79.05482	33.0
81.03404	1.8
83.11547	0.9
91.05467	51.1
92.05760	1.4
93.07029	100.0
94.07362	3.1
95.04957	24.8
98.03622	1.0
103.05449	29.1
104.05759	2.0
105.04508	7.4
105.07016	40.2
106.07264	1.3
106.07870	1.7
119.08566	6.3
121.02825	1.6
121.03997	1.7
121.06489	42.6
121.10126	54.1
122.06019	2.3
122.06870	2.7
122.09651	3.1
122.10467	2.6
123.08058	6.9
133.07590	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	120.0445
Annotation	Anthranil
Peak:m/z	Relative Intensity
52.71202	0.4
53.03939	1.2
53.29348	0.3
55.01858	0.5
56.04780	0.5
56.05030	8.1
57.03434	1.0
63.10403	0.3
65.00622	0.4
65.03932	28.6
66.04252	0.7
67.05490	0.6
71.62320	0.7
74.05647	0.8
74.06070	13.8
78.93109	1.1
79.05485	2.3
84.04513	0.8
91.04943	0.3
91.05470	8.4
92.04992	100.0
92.05795	3.8
93.05328	3.8
93.06458	0.8
93.07027	12.1
95.04946	3.4
102.05541	3.2
102.09168	0.6
103.05453	13.1
104.05792	0.7
105.04526	0.5
105.07037	2.1
110.06016	3.5
111.04430	1.1
120.04453	86.0
120.05539	8.5
120.08088	22.1
120.08862	1.7
120.91184	0.4
121.02875	3.3
121.03964	1.8
121.04742	3.6
121.06492	11.1
121.08418	0.7
121.10111	3.7
123.08119	0.4
131.92638	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	120.0808
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43881	0.3
53.03927	1.1
56.05024	4.8
57.03422	0.4
57.05786	0.5
58.06578	0.7
65.03918	1.4
65.27071	0.3
68.34981	0.3
69.92165	2.2
74.06065	7.6
74.29640	0.4
78.93097	0.5
79.05484	2.4
80.05015	0.3
84.08109	0.9
91.05461	7.7
92.04984	2.0
92.05797	2.8
92.69708	0.4
93.07026	14.9
93.13011	0.4
94.07362	0.4
95.04945	2.5
102.05518	1.7
102.09170	0.7
103.05448	46.7
104.05773	1.7
105.04507	0.6
105.06995	2.1
111.04452	0.4
116.23995	0.4
118.06505	1.2
118.07292	0.5
119.07265	0.7
119.08587	0.5
120.04457	3.1
120.05572	6.6
120.08083	100.0
121.02833	1.6
121.03957	1.0
121.06512	3.2
121.07610	0.8
121.08419	4.4
121.10102	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	121.0649
Annotation	Phenylacetaldehyde
Peak:m/z	Relative Intensity
50.01596	0.3
51.02379	1.1
53.03939	11.0
55.01852	1.6
55.32505	0.3
61.98569	0.3
65.03916	0.5
65.63620	0.4
69.81952	2.2
77.03901	2.4
79.05480	0.7
81.03399	1.1
91.05466	40.8
92.05803	1.7
93.07030	45.2
94.07363	2.0
95.04956	23.1
96.05321	0.5
98.21499	0.4
102.04678	1.2
103.05450	56.8
104.05771	1.9
105.04501	4.3
116.07587	0.3
121.06486	100.0
122.06817	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	119.0492
Annotation	Benzofuran
Peak:m/z	Relative Intensity
50.56742	0.3
53.03935	1.0
56.05028	2.6
65.03928	6.9
67.05497	0.4
71.04990	0.5
71.62174	0.5
72.08135	1.1
73.08468	1.9
74.06062	5.2
78.93085	0.5
79.05475	2.9
91.05463	100.0
92.04977	1.7
92.05794	2.9
93.07013	1.9
95.04948	1.1
96.05256	0.6
102.05516	1.2
103.05458	4.9
104.06250	2.1
109.06492	0.6
115.05432	1.1
117.07002	6.4
118.07240	0.4
119.04928	23.8
119.06001	2.7
119.06812	2.0
119.08554	43.0
120.04423	1.6
120.05521	3.3
120.06448	0.7
120.08067	5.5
120.08892	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0856
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
52.88611	0.6
53.03942	1.2
54.47836	0.6
56.05022	2.6
57.27039	0.5
59.32457	0.5
65.03921	2.1
69.51896	3.4
72.08144	0.6
73.08454	1.2
74.06071	2.6
78.04692	0.9
79.05475	5.5
91.05464	74.7
92.04961	0.8
92.05810	2.1
93.07034	4.0
95.04962	1.5
98.20664	0.5
99.40358	0.6
102.05546	0.7
103.05451	9.6
104.06226	8.0
109.06495	0.6
115.05439	2.7
115.83189	0.5
117.06998	14.1
118.07285	1.0
119.04912	2.1
119.06049	2.1
119.08557	100.0
119.48155	0.5
120.04431	1.0
120.05582	2.0
120.08066	4.4
120.08901	4.2
133.87119	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.019
Annotation	Unknow
Peak:m/z	Relative Intensity
54.25827	1.4
56.96548	3.1
58.99842	1.9
67.05499	2.5
69.03403	6.4
70.22140	5.7
78.95279	2.5
82.01434	2.6
83.52440	1.8
86.52664	2.7
91.05468	8.4
95.53276	1.9
100.02466	15.5
101.00864	16.0
101.02548	5.9
102.02223	6.3
103.02451	3.2
104.54656	1.4
116.05759	2.2
117.04031	1.4
118.03489	10.2
119.01902	100.0
119.03616	5.7
119.08584	2.3
120.02016	6.0
120.03231	3.5
121.03495	2.5
126.68807	1.6
135.05051	2.6
137.02936	48.1
138.03087	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0864
Annotation	L-Valine
Peak:m/z	Relative Intensity
53.03928	0.4
55.05503	14.3
56.05837	0.3
57.05802	0.9
59.04998	0.3
59.07356	0.2
69.37604	0.2
70.06587	0.4
70.76758	0.6
72.08145	100.0
73.08488	1.9
79.37524	0.2
118.08636	2.4
122.54635	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1181.2811
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01312	0.0
83.04971	0.2
85.02886	7.5
86.03228	0.1
86.09637	0.0
87.00839	0.1
87.04457	0.1
91.03944	0.1
93.03391	0.1
95.04952	0.1
97.02874	1.2
97.03500	0.1
98.97586	0.0
99.04417	0.5
101.05979	0.0
103.03928	0.2
105.01845	0.0
107.01294	0.0
108.34476	0.0
109.02856	0.8
109.03569	0.1
111.00778	0.5
111.04407	0.2
115.03900	0.0
116.98598	0.0
121.02834	0.5
123.04426	0.2
127.03883	1.9
128.04347	0.0
129.05452	1.7
130.05844	0.0
131.04848	0.0
135.04373	0.1
137.02307	1.6
137.03215	0.1
145.04924	0.7
145.06235	0.1
145.06465	0.1
147.06487	0.7
149.02296	0.3
149.03238	0.0
151.03920	0.1
153.01793	1.9
155.04866	0.1
159.02783	0.0
161.05959	0.1
163.03888	0.3
163.06017	0.1
165.01805	1.2
166.02611	0.2
168.94662	0.0
171.02895	0.1
173.05943	0.2
176.11426	0.0
177.05498	0.1
179.03334	0.4
183.02887	0.5
183.04381	0.1
187.03934	0.1
187.05981	0.1
191.03410	0.1
191.06874	0.1
195.02896	0.2
201.05428	0.9
205.04955	0.1
207.02911	0.1
211.03998	0.1
213.03905	0.2
213.05573	0.1
215.03271	0.1
219.02910	0.1
219.06548	0.2
228.04221	0.1
229.04924	2.8
229.06915	0.2
230.05325	0.1
231.04985	0.3
237.07481	0.0
239.03397	0.1
246.05304	0.1
247.05966	0.6
249.05806	0.0
253.00323	0.1
253.06886	0.0
255.08630	0.1
257.04388	1.9
258.04813	0.1
271.01233	0.1
273.05960	0.1
274.04709	0.5
275.05344	0.2
285.03882	1.1
286.04553	0.1
291.07031	0.4
303.04926	100.0
304.05255	3.9
315.04709	0.1
345.05957	0.1
357.07968	0.2
375.09100	1.1
393.10135	0.3
447.08884	0.1
449.10461	0.2
465.10223	4.9
466.10489	0.3
609.08344	0.2
610.08246	0.2
611.08350	0.2
611.16486	0.0
1212.61609	0.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0652
Annotation	Indole
Peak:m/z	Relative Intensity
51.02380	1.1
53.03938	11.6
54.42659	0.6
55.01871	1.7
55.05503	14.0
58.06595	1.5
59.07328	0.7
65.03925	1.2
66.87593	0.6
70.06595	1.0
71.04987	0.8
72.04497	1.6
72.08143	100.0
73.08485	2.0
76.93362	2.6
77.03928	0.9
81.03412	1.2
83.01306	1.0
83.04972	0.8
83.52337	1.8
83.90199	0.7
87.67392	0.7
88.81972	0.6
90.03794	1.1
91.05466	30.9
92.52874	1.3
94.94395	1.9
95.04954	21.9
98.21539	1.3
100.03939	0.8
100.07613	0.7
104.03656	0.9
105.04498	4.5
109.06571	0.8
110.06021	0.7
117.06993	0.9
118.03249	0.9
118.06516	39.2
118.08625	4.4
119.04922	2.6
119.06034	3.9
119.06849	2.9
119.08546	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	118.0652
Annotation	Indole
Peak:m/z	Relative Intensity
50.44496	0.6
53.03941	1.8
53.53849	1.0
55.05256	1.3
55.05502	14.6
56.05016	0.8
56.96552	0.9
57.05798	0.9
58.02938	0.9
58.06590	1.1
59.06108	1.8
59.72114	0.7
62.52478	0.7
63.02061	0.8
67.68278	0.7
69.96180	4.7
70.06573	0.9
71.04948	1.0
72.04496	1.7
72.08144	100.0
73.08481	1.7
75.05569	0.7
76.93362	11.5
79.05486	1.3
83.01311	1.0
91.05466	57.7
92.52882	1.7
94.94394	4.8
95.04951	1.8
98.21418	1.0
100.03973	1.0
100.07613	0.8
112.95429	1.3
117.05739	2.2
117.95990	1.6
118.06523	95.2
118.08618	2.9
118.96702	1.0
119.04943	1.7
119.06046	3.0
119.06848	4.1
119.08575	9.3
132.85245	0.8
135.97011	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0652
Annotation	Indole
Peak:m/z	Relative Intensity
51.02377	2.3
53.03941	32.0
55.01850	2.7
62.80665	1.5
70.96169	4.0
72.08147	6.3
72.11327	1.5
77.03906	5.8
81.03395	2.7
91.05463	9.5
95.04955	54.3
96.05241	2.8
99.29449	1.5
105.04507	13.4
118.06527	100.0
118.87777	1.7
119.06833	2.6
119.08539	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	118.0652
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	3.6
53.03695	2.5
53.03938	34.6
55.05494	5.4
70.94978	4.8
72.08146	48.9
77.03927	5.0
79.05482	3.3
81.03396	2.1
87.11388	2.0
91.05469	49.9
95.04957	58.8
96.04319	1.9
103.05438	2.4
104.06222	2.3
105.04482	10.1
117.06987	7.3
118.06526	100.0
118.08598	3.6
119.06077	3.5
119.06805	3.7
119.07774	3.8
119.08564	46.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0652
Annotation	Indole
Peak:m/z	Relative Intensity
51.02366	2.7
53.03939	33.1
54.65611	1.4
55.01852	1.7
55.05505	10.7
58.06575	4.8
58.19132	1.5
59.04985	1.6
59.07359	2.5
66.88264	1.5
69.40176	1.5
70.06561	1.6
71.62331	2.8
72.04505	3.1
72.08147	95.8
73.08463	2.6
76.93360	3.3
77.03901	4.1
78.29716	1.4
81.03396	2.7
83.52361	7.5
90.03741	1.8
91.05469	72.7
92.52847	2.2
95.03120	2.3
95.04958	63.8
96.05268	2.5
105.04498	13.4
116.05726	2.0
117.07020	4.6
118.06522	100.0
118.08626	10.3
119.04903	3.8
119.06054	6.5
119.06844	5.6
119.08567	21.4
122.02255	1.6
138.43648	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0652
Annotation	Indole
Peak:m/z	Relative Intensity
50.01302	1.7
50.66659	1.2
51.02364	3.0
53.03701	2.4
53.03939	39.0
55.01861	2.5
62.74804	1.4
69.99129	6.5
72.08144	11.0
77.03918	6.0
81.03403	3.1
87.68790	1.4
91.05465	8.8
95.04353	3.1
95.04957	58.1
96.05289	2.2
105.04504	15.7
118.06525	100.0
119.06863	3.4
119.08569	2.3
135.40002	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0652
Annotation	Indole
Peak:m/z	Relative Intensity
51.13174	2.0
52.00823	2.1
53.03939	34.2
55.05504	16.6
58.06585	5.2
59.74302	2.2
69.97124	9.3
69.97552	4.7
70.06550	3.2
72.08147	100.0
74.51785	2.0
75.78228	2.0
76.93333	3.0
77.03914	4.3
79.05479	3.0
83.52340	7.0
90.03752	3.0
91.05474	78.4
91.67780	2.2
92.52895	3.4
95.04958	72.0
95.99249	2.2
96.05312	2.4
104.03639	2.7
104.06234	3.1
105.04485	13.0
117.06993	7.6
118.06527	95.9
118.08636	9.4
119.04913	5.1
119.06052	6.9
119.06876	5.9
119.08555	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	117.091
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02355	1.2
53.00286	1.0
53.03923	4.8
55.01861	1.3
55.05265	1.2
55.05503	14.4
56.05015	2.0
56.90734	0.9
57.03426	20.8
57.76854	1.0
58.06581	3.1
59.04988	6.0
59.06102	4.5
59.93096	1.9
61.02902	3.2
62.23276	1.2
65.14483	1.1
67.93544	3.6
69.03416	28.8
70.06594	8.5
71.01327	1.5
71.04980	23.2
71.06298	1.8
71.06911	26.2
71.08607	1.9
71.57368	1.8
72.04510	11.1
72.08141	100.0
73.02908	10.4
74.06036	1.4
74.93810	1.8
75.04436	1.3
75.05578	3.4
76.03958	1.5
76.93353	18.4
81.03413	2.6
81.07032	3.7
82.18945	1.1
83.52338	3.1
87.04444	1.9
89.03900	1.7
89.06020	3.0
90.03703	1.1
91.05464	8.1
92.52850	1.1
93.41545	1.0
94.94385	8.9
95.04947	4.3
99.04438	6.9
99.08058	2.3
100.03940	2.6
100.07581	2.3
105.04491	1.3
106.02850	1.5
112.95408	1.6
115.05443	10.8
117.05486	7.8
117.06903	15.3
117.09091	2.5
117.10252	1.0
117.95963	5.0
118.06493	19.8
118.08630	3.7
118.96759	1.6
135.96977	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	1125.5015
Annotation	Unknow
Peak:m/z	Relative Intensity
83.08584	0.1
123.92602	0.1
166.69090	0.1
177.68204	0.1
299.23276	0.1
311.25751	0.2
319.48944	0.1
396.12027	0.2
397.12854	0.6
398.13623	0.4
399.14661	0.4
400.15323	0.1
407.11819	0.1
409.13043	0.4
410.13614	1.1
411.14447	2.4
412.15189	2.0
413.15912	1.5
414.16339	0.2
423.09912	0.2
423.15106	0.9
424.10876	0.5
424.15970	1.5
425.16202	5.6
426.16858	4.1
427.17590	1.4
428.18518	0.9
429.18860	0.1
436.15121	0.2
437.12054	0.4
437.16296	0.5
438.11972	1.9
438.17419	0.7
439.13370	7.8
440.13852	0.7
440.18924	3.6
441.19226	19.0
442.19522	2.7
443.18033	0.2
444.18451	0.1
450.13174	0.2
451.13803	0.6
451.18195	0.3
452.14056	2.4
453.15131	9.3
454.15784	3.1
455.16824	0.5
456.12860	0.1
456.18253	0.2
457.14319	0.3
458.15851	0.3
459.15814	0.1
463.13660	0.6
464.14478	0.3
465.15616	0.5
466.17001	0.7
467.17102	15.9
468.17722	9.4
469.18729	7.4
470.19681	1.1
471.16721	0.6
472.17401	0.4
475.14005	0.1
477.15323	0.5
478.15796	0.7
479.16562	0.4
480.14401	0.8
481.14682	9.9
482.15128	3.2
483.15359	0.5
484.16931	0.2
485.19083	0.7
486.18607	0.3
487.19858	0.1
491.17093	0.1
493.15482	0.1
494.16928	0.6
495.10712	0.1
495.16379	13.2
496.16870	20.2
497.17389	3.9
498.19693	0.5
499.19473	0.7
500.19958	0.4
507.16382	0.1
508.19595	0.7
509.18179	1.9
510.18555	0.6
511.19363	0.3
512.21301	0.5
513.17926	0.7
514.23047	1.6
515.18207	0.1
522.17871	0.7
523.19922	1.1
524.17480	0.3
525.17090	0.4
526.18372	0.3
527.22528	1.6
528.18341	0.7
529.18964	0.1
536.19189	1.1
537.19427	1.7
538.18396	0.6
539.19250	0.3
540.19812	0.4
541.20514	0.2
542.21655	0.6
545.24023	0.3
551.19348	0.2
553.19653	0.1
554.20667	0.3
555.22302	18.4
556.22797	2.0
557.22858	0.2
567.18610	0.3
568.19080	0.7
569.20575	0.2
570.20966	0.1
573.23248	0.2
581.20197	0.1
582.21075	0.4
583.21771	54.2
584.22015	8.4
585.21899	0.4
586.20245	0.6
587.25195	1.1
588.24927	0.1
599.20813	0.3
600.21619	0.6
601.21930	0.2
610.20294	0.4
611.21057	1.8
612.21002	0.2
614.23492	0.8
615.24402	3.8
616.25177	0.4
628.20905	0.3
629.21808	0.2
642.23102	14.6
643.23676	100.0
644.23816	8.7
646.62677	0.1
766.47778	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	111.1169
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.1
53.99822	0.7
54.03459	1.9
55.01867	1.3
55.05504	32.4
56.05033	4.1
56.05825	0.7
57.07062	1.3
58.06591	9.0
59.06118	0.8
65.03929	0.9
67.02984	0.7
67.05499	3.7
68.05019	8.5
69.03409	1.5
69.04553	3.0
69.07058	100.0
69.40551	1.2
69.40977	3.2
70.02946	1.1
70.04078	0.8
70.04877	0.9
70.05309	0.9
70.06582	38.9
70.07374	2.4
71.02470	0.7
71.06106	6.2
71.07349	1.1
82.05299	1.6
82.06579	0.9
83.04974	4.2
83.06090	6.7
83.08604	1.0
84.04509	1.5
84.05638	1.3
84.06423	0.6
84.08131	3.5
84.96307	0.4
85.07651	4.3
88.00452	0.6
93.07011	1.3
94.06552	3.7
95.02451	0.5
95.04970	0.4
95.06078	3.8
96.05606	1.5
96.06876	2.0
97.00986	0.9
110.07155	5.3
111.04417	4.3
111.05569	11.6
111.06682	3.1
111.07486	4.7
111.08002	2.9
111.09187	75.2
111.11684	1.3
112.03951	2.5
112.05106	5.2
112.06293	1.3
112.07611	2.5
112.08717	44.2
112.09503	2.6
112.11228	2.5
115.96384	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	111.0393
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.9
53.37215	0.8
55.01855	3.4
55.05503	10.3
56.96556	28.5
57.93562	2.3
60.04503	3.0
65.03941	2.2
67.05490	1.7
67.49143	0.8
67.51040	2.4
68.05011	1.0
68.52715	1.0
69.03415	3.5
69.07046	3.2
69.99396	0.8
70.06578	2.3
70.28338	2.8
70.28750	1.6
70.94249	1.7
70.95845	2.4
71.02963	1.7
72.04492	3.1
73.05268	1.1
74.52710	0.9
76.03564	0.9
76.49691	2.3
76.51573	6.8
76.53350	3.0
78.52927	0.9
78.99947	1.6
79.01857	4.5
81.03405	3.9
82.01437	2.3
83.04967	8.9
84.01175	0.8
84.08158	1.5
85.52106	4.7
85.53751	1.8
87.00454	2.5
87.04275	8.5
87.50617	1.4
87.54333	21.7
88.00471	73.0
88.02349	8.1
88.04137	24.2
88.50671	1.7
88.54322	1.0
89.00238	14.4
89.00745	1.4
93.03387	1.1
93.07033	3.2
96.04803	1.9
96.54856	4.3
97.00989	100.0
97.04660	3.5
97.51180	4.4
97.99156	3.6
98.00755	19.0
98.01322	1.6
98.97562	8.2
99.05135	1.8
99.51251	7.1
100.02462	8.7
100.05060	1.2
100.51011	1.2
101.02541	1.9
102.02222	2.6
104.24845	0.9
106.01508	10.4
107.01278	2.9
108.51768	3.6
111.04434	15.6
111.05542	2.6
111.06225	0.8
111.08068	4.5
111.09180	6.0
112.03916	1.6
112.07598	3.4
112.11244	1.8
113.96381	1.8
115.96423	37.2
116.00183	2.3
116.97238	12.2
116.98585	8.8
117.95962	7.1
118.03490	6.0
118.96744	1.3
119.03636	1.1
120.03259	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	111.0393
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.5
55.01862	3.3
55.05254	1.6
55.05503	18.7
56.05017	1.7
56.96555	23.5
57.93545	2.9
58.06587	1.0
59.93084	0.7
60.04499	1.2
65.03922	3.3
65.15099	0.7
66.82374	0.8
67.05499	2.3
67.51039	2.0
68.05020	8.9
68.99780	0.9
69.03418	14.7
69.04527	0.9
69.07058	7.0
70.06580	9.9
70.79479	1.8
70.79823	0.9
70.94255	2.1
70.95856	3.3
71.07335	0.8
71.30934	0.7
76.49683	1.2
76.51588	5.1
78.99938	0.9
79.01836	2.8
82.05300	3.8
83.04968	16.6
83.06073	5.5
83.08540	1.0
84.01543	0.9
84.04485	0.9
84.08132	19.4
85.52103	3.2
87.00461	3.6
87.50562	2.9
88.00471	73.4
88.02345	6.4
88.50263	1.5
88.50723	1.4
88.51545	0.9
88.96882	1.5
89.00242	12.2
89.00747	1.5
89.25569	0.7
90.94765	0.8
91.05472	1.4
93.03413	1.3
93.07041	3.0
94.02921	1.7
94.06535	1.3
95.04959	1.1
95.06062	2.4
96.00945	0.8
97.00990	100.0
97.51144	3.4
97.52083	2.0
97.99168	2.1
98.00748	22.3
98.97575	6.1
99.51239	6.5
100.51042	2.0
102.95648	0.8
106.01504	10.9
107.01276	2.1
108.51785	3.0
109.51556	1.0
111.04430	28.6
111.05561	12.8
111.06310	1.8
111.08064	7.9
111.09180	9.5
112.03976	4.7
112.04971	1.0
112.07594	32.1
112.11225	38.4
113.96373	2.1
115.96421	33.9
116.00212	1.4
116.97227	9.7
116.98588	6.1
117.95969	6.8
118.96758	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1013
Annotation	4-Vinylcyclohexene
Peak:m/z	Relative Intensity
52.48674	0.5
53.03945	6.0
55.05502	5.6
55.93529	0.7
63.65155	0.7
65.03938	3.0
67.05495	71.2
68.05830	1.8
68.99390	0.8
69.07056	3.6
71.21707	1.1
72.93776	3.4
75.08955	0.6
77.99914	3.9
79.05478	6.7
80.06271	0.9
81.03412	11.5
81.06567	1.5
81.07047	26.6
82.06567	1.3
82.07378	1.2
86.00686	9.1
86.50594	5.9
87.00454	100.0
88.50965	0.7
89.50714	1.1
90.94814	2.1
91.05481	1.3
94.04181	1.0
95.01211	1.3
95.51121	2.1
96.00970	21.6
97.51482	2.1
98.51247	14.0
98.51852	1.2
107.08569	3.0
108.95824	2.0
109.02855	4.0
109.06505	8.0
109.07644	1.0
109.10143	49.6
110.02030	0.9
110.06040	4.2
110.06715	0.8
110.10486	1.7
111.96842	4.1
112.96710	1.9
113.96390	37.7
129.97897	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1013
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17530	0.5
53.03940	4.8
55.05500	5.3
55.93510	0.6
57.34702	0.5
65.03933	2.1
66.49152	2.0
67.05495	62.5
68.05829	1.5
68.99386	0.8
69.07057	4.0
71.94076	1.0
72.93767	5.3
74.99821	0.8
75.49685	0.8
77.50088	0.6
77.99920	5.1
79.05479	5.4
81.03412	9.3
81.07043	21.1
82.07378	0.9
86.00686	8.4
86.50604	6.7
87.00452	100.0
89.50738	0.8
90.94812	2.1
91.05468	1.3
94.07801	0.7
95.01222	1.3
95.51128	1.6
96.00971	21.6
97.51461	1.1
98.01378	1.0
98.51238	16.7
107.08569	2.2
107.51784	0.5
108.95858	1.7
109.02878	3.3
109.06503	5.8
109.07629	1.4
109.10139	42.1
110.02022	1.6
110.06027	4.6
110.10474	2.4
111.96861	3.2
112.96692	2.5
113.96385	38.5
129.97853	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.065
Annotation	o-Cresol
Peak:m/z	Relative Intensity
51.02385	0.7
53.03703	0.6
53.03939	9.4
55.01863	4.6
55.05499	6.6
58.20207	0.6
59.94801	0.6
65.03917	3.8
66.04707	1.0
66.49126	1.4
67.05495	75.0
68.05831	1.2
69.07050	4.0
70.41817	1.0
70.42213	1.5
72.93768	2.6
77.00165	0.6
77.99912	3.3
79.05484	32.7
80.05811	0.8
80.06253	1.0
81.03410	18.0
81.07046	48.1
82.06570	1.0
82.07393	0.9
86.00681	6.8
86.50616	3.7
87.00453	77.3
90.94796	1.5
91.05468	9.0
92.05775	0.7
94.04156	2.2
94.07763	0.7
95.01222	1.4
95.04969	0.9
96.00401	1.2
96.00966	14.7
97.51462	1.5
98.51241	9.3
99.05775	0.6
107.04953	1.0
107.08579	3.6
108.95857	1.5
109.02876	6.2
109.06500	100.0
109.10139	54.5
110.06024	5.3
110.06840	2.8
110.10468	1.7
111.96877	2.3
113.96385	26.9
128.87184	0.7
129.97873	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1088.6352
Annotation	Unknow
Peak:m/z	Relative Intensity
77.03874	0.8
79.05477	50.3
81.03395	4.1
81.07040	65.3
82.07387	1.0
83.04947	2.1
83.08604	8.3
85.02888	83.7
85.06502	3.1
87.04446	1.9
87.39563	0.6
91.03938	64.8
91.05460	35.2
93.07025	57.1
95.04942	9.2
95.08587	50.5
97.02872	47.4
97.06518	3.7
97.10174	3.7
99.04429	5.0
99.08072	3.2
101.02350	1.3
103.03914	2.4
103.05438	1.1
105.04476	2.0
105.07010	29.5
107.08571	29.9
109.02858	3.1
109.06488	3.2
109.10136	26.3
109.10887	1.3
111.08043	2.7
111.11678	1.1
113.09626	1.1
115.03918	3.6
115.05427	1.9
117.05441	1.3
117.06992	11.5
119.08559	23.5
120.22009	0.7
121.06438	1.1
121.10119	32.0
123.08059	2.0
123.11681	10.8
125.09596	1.7
127.03889	36.6
128.06206	1.0
129.05428	1.0
129.06926	5.4
130.07758	1.0
131.07561	1.4
131.08543	22.7
133.10104	25.4
135.08031	1.7
135.11662	26.7
137.09583	1.8
137.13251	3.8
139.11119	1.4
143.08525	4.8
145.04932	51.2
145.10083	17.4
147.11659	20.0
149.09589	2.1
149.13231	15.4
151.11166	1.9
151.14784	1.4
155.08559	1.3
157.10089	4.2
159.11659	16.0
161.13251	9.7
163.05988	100.0
163.11122	1.9
163.14766	5.2
164.06349	0.8
169.10094	1.4
171.11642	6.3
173.11806	0.6
173.13242	12.1
175.11206	0.9
175.14789	4.6
177.12772	1.2
177.16319	1.6
183.11642	1.8
185.13199	4.3
187.14772	5.7
189.16339	4.6
197.13252	0.9
199.05951	0.9
199.14798	2.5
201.16380	2.1
203.17908	3.5
204.08627	4.6
205.15833	0.8
205.19478	1.9
209.13274	0.8
211.14629	1.3
213.14638	1.1
213.16367	8.1
215.17918	18.4
217.15895	1.1
217.19496	2.8
225.16341	1.1
227.18018	1.2
231.17395	12.2
233.18954	19.8
235.20566	1.9
241.06897	1.4
241.19495	3.0
243.21127	4.9
245.18864	0.9
259.20517	7.2
261.22095	13.3
263.23688	1.3
277.21555	0.9
287.23621	1.0
289.21631	1.3
299.23599	1.2
305.21127	6.7
307.10519	1.7
307.22610	74.4
308.22913	1.2
309.24182	13.5
309.36871	0.7
313.25320	1.1
315.23270	1.6
315.26880	0.9
317.24551	2.4
325.11203	7.0
333.24142	9.2
335.25732	72.3
336.26169	2.5
337.27344	12.1
351.25427	1.1
353.27203	1.3
355.30334	0.9
378.28864	0.8
395.23737	1.0
461.32474	1.1
463.33823	1.1
475.33701	1.1
475.39557	1.6
489.35638	1.0
493.40366	7.6
501.35422	1.7
503.37674	1.1
511.41074	2.0
515.37177	2.3
567.44000	29.2
568.44061	1.7
585.45032	66.3
586.45135	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	1087.2194
Annotation	Unknow
Peak:m/z	Relative Intensity
75.04459	0.1
81.03409	0.5
85.02889	3.2
86.09718	0.1
91.05465	0.1
95.01292	0.2
95.04980	0.1
97.02857	0.4
99.04488	0.1
101.02360	0.1
107.01278	0.1
109.02853	0.2
111.00793	0.4
111.04401	0.2
113.02354	0.2
113.10695	0.1
117.03378	0.1
121.02849	0.3
123.04432	0.3
127.03881	0.5
129.05458	0.3
130.94859	0.1
131.03381	0.2
135.04396	0.3
137.02322	7.3
137.03386	0.6
138.02580	0.1
141.01810	0.6
143.04868	0.1
145.02803	0.2
145.04935	0.2
147.04404	0.3
149.02319	0.4
153.01804	6.9
161.02370	0.4
163.03876	2.3
163.05200	0.1
165.01891	0.2
171.02882	0.5
171.04327	0.1
175.03926	0.3
177.01784	0.2
177.05460	0.2
179.03410	0.2
183.02908	0.1
187.03862	0.3
189.01871	0.1
191.03401	0.2
195.02823	0.1
199.03876	0.1
201.05466	0.1
203.03345	1.0
205.04915	0.5
207.02808	0.8
211.03879	0.1
213.05658	0.1
215.03401	0.2
216.04185	0.1
217.04956	0.5
219.02930	0.1
227.03441	0.3
228.04037	0.1
229.04977	0.3
231.02838	0.1
239.03450	0.1
241.04965	0.2
243.02951	0.2
244.03661	0.3
245.04369	0.8
251.07249	0.1
253.04971	0.1
255.02917	0.3
257.04364	0.6
259.02518	0.2
259.05875	0.2
263.07178	0.1
265.04913	0.1
266.05505	0.1
267.02805	0.2
267.06805	0.1
269.04404	0.4
271.02335	0.8
272.02884	0.1
273.03836	1.5
274.04681	0.3
275.07205	0.1
279.06482	0.4
281.04407	0.1
283.02484	0.1
283.05945	0.3
284.03076	0.2
285.03833	1.0
286.04694	0.1
287.01895	0.1
287.05533	0.2
289.04749	0.1
290.05908	0.1
291.06558	0.2
293.04462	0.2
293.07993	0.1
295.02603	0.1
295.05930	0.3
297.03882	2.1
298.04657	1.0
299.02237	0.1
299.05533	0.3
301.03134	0.6
302.04254	0.2
303.04694	1.2
307.06110	0.3
309.03961	0.1
311.02069	0.2
311.05341	0.7
313.03378	1.3
315.04938	1.3
318.04993	0.1
319.05899	0.6
321.03848	0.2
321.07590	0.4
323.05371	0.4
325.03406	0.8
325.06876	0.1
327.05078	0.2
329.04300	0.1
331.06006	0.3
333.03824	0.2
335.05502	0.6
337.03464	0.4
337.07227	0.2
339.05014	0.7
341.02808	0.2
341.06415	1.4
343.04468	0.3
346.04501	0.2
347.05411	1.2
348.06146	0.2
349.03409	0.2
349.07071	0.5
351.04889	0.4
353.06561	0.4
359.05444	0.3
361.03079	0.2
361.07031	0.1
363.04837	0.5
364.05722	0.3
365.02420	0.1
365.06546	0.9
366.07224	0.3
367.04306	0.5
369.02441	0.2
375.04852	0.7
376.05676	0.2
377.06503	1.1
379.04547	0.5
380.05469	0.2
381.06146	0.4
382.06912	0.2
385.06979	0.2
387.04715	0.1
389.06827	0.3
391.04688	0.3
392.05118	1.4
393.02216	0.1
393.06158	1.5
394.06650	0.3
395.07947	0.5
397.06836	0.1
403.04456	0.3
405.05981	0.7
406.06778	0.2
407.03806	0.3
409.05383	0.6
410.06229	0.9
411.06992	0.5
413.06522	0.3
417.06256	0.2
419.07626	0.3
421.05496	5.0
422.06122	0.5
423.07111	1.3
425.05170	0.1
427.07153	0.3
431.04007	0.4
433.05798	0.2
434.61234	0.1
437.05023	0.5
441.06244	0.3
443.07703	0.2
445.05524	0.6
447.03326	0.2
449.04846	0.3
451.06586	2.4
453.04538	1.1
455.07593	0.3
459.07141	0.7
461.08069	0.1
465.04846	0.3
467.07175	0.2
469.05237	0.4
483.06610	0.5
487.06534	2.1
488.06546	0.1
497.04959	0.1
501.08310	0.6
511.06516	0.7
515.05951	0.3
519.09253	0.2
529.07623	1.9
539.06152	0.4
543.05518	0.3
547.08618	6.3
548.09033	0.4
557.06866	1.0
574.07660	0.4
575.08063	2.0
585.06592	0.8
603.07568	100.0
604.07928	4.8
615.07721	0.2
627.07593	0.2
645.08624	0.4
648.12524	0.1
669.09119	0.1
761.09998	0.2
765.12457	0.2
779.10577	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0857
Annotation	Ethylbenzene
Peak:m/z	Relative Intensity
50.01580	0.6
50.70972	0.5
51.02370	1.7
53.03938	21.8
54.04262	0.6
55.01857	1.2
65.03926	4.6
67.05492	1.9
71.43014	0.8
77.03920	3.9
79.05480	100.0
80.05802	2.8
81.03397	2.1
91.05465	36.6
92.05779	0.6
92.06274	1.3
93.05796	1.4
95.04951	39.8
96.05299	1.2
98.21490	0.5
105.04491	10.1
105.07015	13.3
106.07359	0.6
107.04942	19.7
107.08576	18.5
108.04486	0.5
108.08068	3.1
109.06506	6.0
114.52520	0.5
118.06500	0.7
119.06050	1.7
122.90955	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0857
Annotation	Ethylbenzene
Peak:m/z	Relative Intensity
53.03940	2.1
55.01863	1.1
58.65896	0.6
62.99053	2.1
63.85326	0.7
65.03938	9.1
67.05500	3.6
70.06900	1.1
70.07310	3.3
79.05050	1.5
79.05486	21.5
80.05010	2.9
91.05470	100.0
92.05794	1.8
92.06273	1.9
93.05787	3.8
95.04967	4.3
105.07016	34.8
106.06612	0.8
106.07343	1.4
107.04943	23.6
107.06986	1.8
107.08578	63.6
108.04471	3.9
108.05130	0.9
108.08125	15.3
108.08907	2.6
108.12106	0.7
109.05770	1.5
109.06504	22.7
119.06057	9.2
121.35944	0.8
124.05191	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0493
Annotation	Aromatic aldehyde
Peak:m/z	Relative Intensity
51.02368	0.4
53.03937	5.1
55.01861	0.7
55.13243	0.3
62.99055	0.4
65.03917	0.6
67.05463	0.3
70.53519	0.7
70.53910	0.8
75.77788	0.4
77.03927	1.0
79.05479	12.4
80.04981	0.5
81.03390	0.4
89.35439	0.4
91.05466	6.3
93.05787	0.4
95.04956	8.9
99.76626	0.3
105.04501	2.0
105.07009	1.5
107.04936	100.0
107.08575	2.3
108.04503	0.6
108.05271	2.9
108.08119	2.9
109.06493	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0494
Annotation	Aromatic aldehyde
Peak:m/z	Relative Intensity
50.53713	0.2
51.02358	0.3
53.03944	4.6
55.01852	0.8
59.85443	0.2
62.99064	0.2
63.64713	0.2
65.03925	0.7
67.05511	0.2
67.50641	0.2
71.31169	0.2
71.62514	0.2
77.03912	0.5
79.05486	10.5
80.05011	1.1
80.05789	0.3
81.03410	0.7
91.05470	6.7
93.05789	1.4
95.04960	9.4
96.05257	0.3
105.04498	2.0
105.07018	2.2
107.04945	100.0
107.08562	3.3
108.04472	1.2
108.05283	3.5
108.08112	4.8
108.08852	0.3
109.06506	1.5
118.06585	0.2
119.06071	0.4
124.05308	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0857
Annotation	Ethylbenzene
Peak:m/z	Relative Intensity
53.03933	4.8
55.01878	0.7
55.05497	1.1
60.04507	0.9
62.99059	2.0
65.03926	12.8
67.05484	7.5
77.03931	0.8
79.05479	68.7
80.04988	4.5
80.05811	1.6
91.05466	100.0
92.05774	2.0
92.06256	3.3
93.05769	6.3
94.27222	0.7
95.04953	9.3
98.20746	1.6
98.92331	0.8
105.04509	1.8
105.07017	30.0
106.06546	1.0
107.04939	26.0
107.06896	2.9
107.08573	41.7
108.04466	6.4
108.08105	22.4
108.08843	1.5
109.06499	14.5
119.06042	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	107.0494
Annotation	Aromatic aldehyde
Peak:m/z	Relative Intensity
51.02380	0.5
51.70346	0.4
53.03934	5.1
56.96562	3.2
61.04870	0.5
62.99094	0.5
65.03959	0.6
67.05534	0.5
71.34805	0.9
77.03926	1.0
79.05483	100.0
80.05005	0.8
80.05810	2.8
81.03385	0.5
83.18671	0.4
83.52357	1.7
84.01556	3.6
84.08151	0.8
84.58203	0.4
91.05469	3.6
92.52866	1.4
93.02070	2.6
95.04959	8.8
103.36887	0.4
105.04517	1.7
105.07036	1.4
107.04942	24.2
107.06860	0.7
107.08584	2.9
108.04483	0.8
108.05205	0.6
108.08125	2.9
109.06460	0.9
115.88792	0.4
119.06055	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0494
Annotation	Aromatic aldehyde
Peak:m/z	Relative Intensity
51.02367	0.6
53.03940	5.1
55.01855	1.0
61.04850	0.3
65.03909	0.5
71.02133	0.7
77.03920	1.0
79.05484	11.2
80.05003	0.8
80.05808	0.3
81.03410	0.8
84.01539	0.4
91.05469	4.8
93.05771	0.8
95.04958	9.7
102.60168	0.2
105.04506	2.2
105.07036	1.6
107.04941	100.0
107.08573	2.3
108.04464	0.7
108.05280	3.3
108.08100	2.8
109.06503	1.1
110.65285	0.3
119.06053	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0701
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02366	1.8
53.03702	0.5
53.03939	9.0
60.04516	8.6
65.03913	1.5
65.33997	0.6
69.87942	3.3
70.03742	1.6
71.24258	0.4
77.03910	1.8
79.05479	32.6
80.05814	0.9
81.03387	0.8
87.04449	0.5
87.06387	1.6
88.03989	1.1
88.04777	4.3
88.07625	0.8
95.04953	19.6
96.04501	0.8
103.05450	26.9
104.05764	0.5
105.03384	7.0
105.04495	5.9
105.07011	100.0
105.11066	2.0
106.05016	0.5
106.06537	6.4
106.07340	3.2
116.91030	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0701
Annotation	Bicyclo[4.2.0]octa-1,3,5-triene
Peak:m/z	Relative Intensity
51.02366	1.8
53.03702	0.5
53.03939	9.0
60.04516	8.6
65.03913	1.5
65.33997	0.6
69.87942	3.3
70.03742	1.6
71.24258	0.4
77.03910	1.8
79.05479	32.6
80.05814	0.9
81.03387	0.8
87.04449	0.5
87.06387	1.6
88.03989	1.1
88.04777	4.3
88.07625	0.8
95.04953	19.6
96.04501	0.8
103.05450	26.9
104.05764	0.5
105.03384	7.0
105.04495	5.9
105.07011	100.0
105.11066	2.0
106.05016	0.5
106.06537	6.4
106.07340	3.2
116.91030	0.5
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
50.01582	1.3
51.02368	2.5
51.70270	0.9
53.03941	31.2
54.17418	0.9
55.01865	1.8
60.04515	16.6
60.08155	1.6
61.08484	1.9
65.03912	1.4
70.03743	2.8
71.61697	1.4
77.03922	4.0
77.23094	0.8
79.05483	32.0
81.03396	2.6
87.00801	1.3
87.06387	1.5
88.03981	3.1
88.04792	7.1
95.04957	64.8
96.05286	1.3
103.05456	22.6
105.03387	44.1
105.04469	15.0
105.07017	100.0
105.11053	11.5
106.03719	2.1
106.04935	1.4
106.06550	6.5
106.07288	1.7
118.06507	1.0
123.09630	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0338
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01605	1.8
51.02372	5.0
53.03941	53.5
54.04298	1.0
55.01874	2.9
58.99582	5.0
59.88698	0.6
60.04510	5.2
61.01144	34.5
61.08495	1.2
65.03937	1.6
71.62370	1.0
71.62742	0.8
77.00628	0.8
77.03480	1.0
77.03912	7.9
79.05471	6.3
81.03403	5.3
85.01129	2.0
87.00827	2.6
87.02679	8.8
88.04813	2.7
95.04957	100.0
96.05311	3.0
103.05442	4.6
103.82731	0.8
105.03390	75.3
105.04507	20.4
105.07010	23.6
105.10454	0.8
105.11063	6.8
106.03709	2.1
106.04878	0.7
106.06527	1.7
118.06477	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0338
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01595	2.1
51.02376	4.9
53.03940	50.5
55.01867	2.6
55.10710	0.6
55.79182	0.7
57.14506	0.6
59.04631	0.7
60.04519	17.8
60.08149	3.1
60.95845	0.8
61.08492	5.0
65.03949	0.8
65.98208	0.7
66.92043	0.7
68.99770	0.9
69.03419	1.7
69.91354	1.7
69.91781	2.8
70.03761	4.5
77.03922	6.7
79.05483	12.7
79.54978	0.6
81.03396	5.6
86.12000	0.7
87.00820	8.8
87.04443	1.8
87.06387	3.9
88.03972	2.8
88.04788	14.0
95.04958	100.0
96.04523	0.8
96.05286	2.8
102.04819	0.6
103.05462	7.7
105.03381	82.0
105.04468	26.9
105.07014	39.9
105.10435	1.8
105.11056	21.3
106.03715	2.2
106.04935	1.3
106.06557	6.5
106.07266	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0336
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.4
55.01866	0.7
56.96556	78.8
58.06586	1.3
59.04972	1.2
59.06905	1.8
60.04515	32.5
60.07693	1.0
60.08153	14.2
60.95843	6.5
61.01128	1.3
61.02902	0.7
61.07841	2.1
61.08487	18.9
61.08799	0.6
63.92912	1.2
64.95542	4.6
67.05476	0.9
68.04995	1.1
69.03419	24.4
69.05339	0.9
69.07059	5.0
70.02954	0.9
70.03403	0.9
70.03752	11.4
70.06555	1.3
71.50819	1.0
72.04482	0.6
74.97606	1.6
78.51221	0.9
78.58527	0.6
79.05472	4.1
79.25731	0.6
81.01484	1.3
82.06544	1.2
82.51563	2.1
83.00751	1.2
84.08133	8.9
84.52081	0.8
87.04451	4.0
87.06372	7.5
88.04007	5.3
88.04787	30.6
89.52319	2.3
90.02005	1.3
90.51267	0.8
91.00489	0.6
91.02334	1.4
91.02872	1.3
91.48185	1.1
91.52071	4.4
92.01263	0.8
92.01819	0.8
93.04266	1.8
93.52557	1.0
94.06542	2.2
94.54247	1.3
95.04964	5.8
96.04449	0.8
97.99126	0.9
100.02463	4.1
100.52602	1.2
102.04023	0.7
102.53107	14.7
103.03301	1.1
103.05433	2.9
103.54748	1.8
104.90813	1.4
105.03374	2.1
105.04496	7.0
105.06982	11.0
105.07536	0.9
105.10433	7.4
105.11053	100.0
106.05016	5.5
106.06512	4.3
106.07196	0.8
106.11166	0.7
111.53622	26.6
112.03804	1.4
112.07584	37.6
113.07890	1.9
113.63306	0.6
114.03883	1.6
115.05501	1.0
118.03503	3.7
120.03233	1.0
120.54107	3.6
123.04394	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	103.0544
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	1.3
53.03699	0.7
53.03939	9.2
56.96556	5.4
65.90878	0.5
67.51044	0.8
69.03415	1.8
76.51582	0.5
77.03908	1.6
79.01835	1.4
81.03398	1.5
85.02882	0.6
86.03225	0.8
86.06030	1.8
87.04454	4.9
87.95066	0.5
88.02396	0.6
88.52527	0.6
95.04950	18.2
102.04652	3.1
103.05447	100.0
104.05790	2.3
104.10699	1.1
105.04498	5.0
118.96520	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	104.1072
Annotation	Choline
Peak:m/z	Relative Intensity
51.41520	0.2
58.06587	2.9
59.07375	1.0
60.08154	31.6
68.75677	0.2
69.03423	1.5
70.65774	0.7
86.06067	1.3
87.04453	4.3
87.04954	0.4
94.15772	0.2
104.10724	100.0
105.11024	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	104.1072
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78671	0.2
51.98636	0.2
58.06585	3.0
59.07367	0.7
59.82937	0.2
60.08151	33.0
65.26920	0.2
69.03430	1.0
71.13342	0.4
86.06048	0.3
87.04447	2.1
101.28798	0.2
104.10722	100.0
105.11047	1.1
124.49490	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	103.0545
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02364	1.8
53.03704	0.9
53.03940	16.3
55.01866	0.7
56.96557	9.7
57.03423	0.8
58.06590	0.9
58.96159	1.0
60.08150	3.0
60.95844	0.8
67.51061	0.9
69.03435	3.4
70.65327	1.2
70.65720	1.5
76.51576	1.1
77.00227	0.6
77.03913	3.8
79.01857	3.0
81.03405	1.9
85.02893	1.3
86.03226	1.0
86.06058	2.8
86.62618	0.6
87.04455	11.7
88.02374	1.3
88.52521	0.8
95.04956	26.1
99.57960	0.6
102.04669	3.8
103.03983	2.1
103.05453	100.0
104.05782	2.8
104.07088	0.6
104.10725	12.7
105.04498	6.5
109.06499	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	103.0545
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	1.0
53.03700	0.9
53.03940	13.5
56.96560	7.0
58.96151	0.7
60.08123	0.7
60.95828	0.7
69.03426	3.8
69.71009	3.9
77.03919	2.6
79.01817	0.9
79.52018	0.7
81.03423	1.6
81.35563	0.5
85.02901	0.6
86.03224	1.4
86.06029	2.9
87.04457	10.4
88.02391	0.8
88.52565	0.7
95.04960	27.8
98.21487	0.6
102.04684	3.2
103.05457	100.0
104.05798	2.3
104.10738	2.9
105.04503	5.9
107.20631	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	101.0601
Annotation	2-Ethylacrylic acid
Peak:m/z	Relative Intensity
50.17191	0.4
51.02379	1.1
53.00302	0.6
53.03940	28.6
53.99853	0.5
55.01871	4.8
55.05505	88.1
56.00279	0.4
56.05025	6.0
56.05835	1.0
56.96560	100.0
57.03431	3.9
58.50521	4.0
59.04992	5.6
59.06115	2.5
60.04518	0.7
60.95838	2.1
61.02915	1.1
67.51060	15.8
70.01324	5.1
70.91994	0.9
71.04987	42.9
71.69933	0.4
73.02910	6.9
73.06552	3.1
74.02438	2.6
74.06069	0.9
74.97609	0.9
76.51581	10.1
77.00837	0.7
79.01846	40.4
80.52698	1.7
83.04972	72.3
84.01668	0.4
84.04500	2.1
84.05306	1.2
84.08134	1.5
85.02898	7.0
85.52132	0.9
88.02366	36.1
89.00231	0.7
89.03461	0.8
90.52639	1.1
94.26520	0.4
97.02914	1.4
97.51286	0.4
98.00755	1.1
99.53163	1.6
100.02460	3.5
101.00865	1.0
101.02467	2.8
101.03453	0.5
101.06006	18.4
101.07050	0.9
101.10788	0.5
102.02213	1.1
102.05532	2.7
102.06277	0.4
117.96012	0.7
118.03490	1.6
119.01909	3.5
119.03613	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	995.6136
Annotation	Unknow
Peak:m/z	Relative Intensity
71.71936	0.2
72.76532	0.2
78.95910	29.0
81.80577	0.1
84.12516	0.2
96.96964	0.9
104.97489	0.2
122.00133	1.1
134.98563	0.2
140.00105	0.3
140.01201	5.7
152.99594	3.4
160.19086	0.2
166.02722	0.3
171.00664	2.0
179.12802	0.2
196.03810	10.5
214.04854	2.4
232.46831	0.2
247.65663	0.1
261.22229	0.5
279.23282	99.0
280.23615	8.5
312.42932	0.2
402.24222	0.3
476.27823	100.0
477.28149	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	995.6138
Annotation	Unknow
Peak:m/z	Relative Intensity
71.57989	0.1
78.95908	10.4
96.96958	0.4
108.00246	0.1
115.82433	0.1
122.00133	0.3
140.01201	2.2
152.99586	1.6
171.00659	0.8
196.03807	1.2
214.04839	2.7
215.05182	0.1
230.34450	0.1
261.22195	0.3
279.23276	100.0
280.23618	8.4
280.28113	0.1
402.24106	0.2
436.72748	0.1
469.92786	0.1
476.27805	59.6
477.28140	6.9
504.31036	0.1
601.09497	0.1
689.19708	0.1
1005.52997	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	987.5936
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03448	0.6
71.01030	0.7
71.01385	10.2
71.66404	0.5
71.93781	0.3
72.99275	0.8
73.02955	1.9
81.03468	0.4
83.01367	1.5
83.05023	0.9
84.02169	0.4
85.01652	0.3
85.02950	2.5
87.00874	2.0
89.02450	9.4
95.01366	0.8
97.02956	2.1
97.06616	0.4
99.00867	1.6
99.08120	1.2
101.02451	8.8
101.82558	0.3
113.02464	4.2
113.09704	1.3
116.92863	0.5
119.03527	2.3
121.10236	0.5
125.02467	4.6
125.09696	1.2
127.11287	1.5
129.09233	1.9
131.03497	0.5
139.11304	4.5
143.03488	1.5
151.11369	0.6
153.09193	0.5
153.12724	0.5
155.10744	1.1
161.04596	2.5
165.09271	0.5
167.10704	0.4
168.14877	0.4
169.12299	1.3
171.10283	21.5
172.10590	1.4
179.05586	1.5
181.12387	1.8
183.10271	1.4
183.13882	0.6
185.11821	3.3
193.12271	1.0
197.11823	4.5
199.13373	1.7
201.11325	4.2
211.13423	6.3
221.06604	0.7
221.75288	0.4
225.92737	0.4
235.08229	4.3
245.17763	0.4
247.06184	0.3
253.09242	1.4
258.13583	0.4
263.07761	0.4
272.80743	0.4
275.20215	2.1
277.21729	27.7
278.21960	2.2
287.07776	1.2
293.21216	7.5
294.21573	0.6
305.08850	2.0
311.22272	100.0
312.22647	8.8
394.63086	0.4
397.13538	49.0
398.13791	3.6
415.14581	16.1
416.15012	0.9
536.45593	0.4
577.40387	0.5
675.36310	3.5
676.36554	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	989.5404
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01398	0.3
71.67518	0.3
78.95908	25.8
80.96531	1.0
94.98118	0.3
96.96961	2.2
118.78516	0.3
124.51357	0.2
150.98019	0.5
152.99603	42.3
153.99922	0.4
171.00661	7.8
225.00798	0.5
227.03264	3.3
245.04305	36.1
246.04628	1.0
253.21719	14.0
254.22098	1.0
261.22263	0.6
279.23282	100.0
280.23630	9.5
293.21277	0.5
314.99350	0.3
481.25714	63.5
482.26056	7.2
499.62195	0.3
507.27264	86.2
508.27560	10.4
555.28510	3.4
556.28864	0.7
600.89117	0.3
848.10443	0.3
969.40399	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	993.5227
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03449	1.0
71.01012	0.9
71.01387	12.2
72.99313	1.0
73.02951	2.0
83.01401	2.6
85.02948	3.1
87.00887	1.5
89.02452	7.7
95.01380	1.1
95.69952	0.7
97.02958	3.9
97.06561	0.8
98.20664	1.5
101.02448	8.2
102.05637	3.7
104.03539	1.0
111.08160	3.2
113.02459	6.4
116.07181	2.2
119.03514	1.6
121.10260	0.6
125.02472	3.3
125.09817	0.7
137.09731	3.7
143.03520	0.7
160.12537	0.6
161.04588	3.6
165.12869	2.5
166.13159	0.8
171.10280	18.1
179.05542	1.3
179.10799	1.0
193.12328	1.4
195.13930	1.7
209.11879	1.2
211.13254	1.4
227.12837	1.4
235.08215	4.3
247.20691	2.9
249.18591	26.4
250.18886	3.0
253.09245	2.9
291.19656	61.8
292.20038	5.4
305.08829	1.1
309.20697	100.0
310.21027	8.4
323.09546	0.8
345.18381	77.4
346.18774	7.4
376.15579	0.7
397.13519	46.1
398.13840	2.8
415.14603	16.0
416.14819	1.4
647.32837	5.5
648.33325	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	976.5931
Annotation	Unknow
Peak:m/z	Relative Intensity
68.37486	0.1
71.67439	0.2
78.95907	26.6
96.57001	0.1
96.96969	1.7
126.19082	0.2
140.19958	0.1
150.98016	0.5
151.00722	0.1
152.99600	36.7
153.99940	0.5
171.00656	10.6
209.11830	0.6
227.03267	2.5
245.04300	51.8
246.04625	1.5
253.21712	20.0
254.22025	1.2
255.23199	1.1
256.23672	0.4
397.13223	0.2
480.31061	0.5
481.25690	100.0
482.26035	10.6
482.33313	0.2
892.13873	0.2
922.92749	0.2
923.75854	0.2
1007.40253	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	979.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
69.84013	1.0
71.01393	0.4
73.02946	0.4
83.01395	0.4
93.03450	0.6
93.04385	0.1
94.15549	0.2
95.01401	0.2
96.95992	0.2
98.20722	0.2
99.00956	0.2
99.04521	1.6
101.02459	0.6
105.03462	0.5
108.02171	1.1
120.02198	0.4
121.02946	1.0
122.66059	0.2
123.04551	1.4
125.02444	0.5
127.00408	0.6
132.02217	0.5
133.02985	2.0
148.01707	0.6
148.96809	0.2
149.02473	1.3
150.24492	0.2
161.04549	1.5
162.03233	0.3
164.63727	0.2
175.04013	0.4
176.01167	12.9
177.01945	100.0
178.02284	4.3
178.03860	0.3
179.07172	0.2
189.00441	1.5
219.02925	0.4
240.33452	0.1
321.02756	0.2
321.06302	0.7
339.07272	0.7
347.09839	0.6
363.07248	4.7
364.07654	0.5
369.04944	0.2
369.10422	0.2
381.08286	61.4
382.08649	5.8
423.09329	11.9
424.09631	1.0
463.12411	1.3
464.12766	0.3
483.11658	0.4
525.12524	2.6
526.12793	0.4
566.22589	0.2
588.54254	0.2
609.15143	0.3
615.45081	0.2
850.80005	0.2
1004.79175	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	970.5416
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04413	100.0
86.09078	49.2
97.27401	48.0
132.83736	42.1
159.16866	45.3
285.95801	45.9
795.84064	48.4
911.33600	60.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	971.5984
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03435	1.1
70.34122	0.8
71.01383	16.0
72.99299	1.4
73.02950	2.4
75.00868	0.4
81.03455	0.7
83.01391	1.7
85.02961	3.8
87.00879	3.7
89.02451	13.7
90.02729	0.3
93.03423	0.3
93.34170	0.2
95.01392	0.9
97.02952	3.0
99.00874	1.1
99.04554	0.3
101.02454	13.8
102.02785	0.3
111.00876	0.4
111.04541	0.6
111.08169	0.5
113.02463	5.7
115.04034	0.4
116.92849	0.3
119.03519	3.8
120.75017	0.2
121.02855	0.3
124.01657	0.3
125.02466	5.9
131.03488	0.7
133.05060	0.8
133.45943	0.2
139.04048	0.4
141.01987	0.3
143.03506	2.0
149.04572	0.3
161.04550	3.2
167.10794	0.5
169.13860	0.3
179.05609	3.2
179.14447	0.6
195.13902	7.8
196.14389	1.0
199.06078	0.3
205.12321	0.9
205.15933	0.5
211.13406	0.6
217.07178	0.4
221.06679	1.0
223.13388	6.4
224.13799	0.5
228.13646	1.0
231.21082	0.3
235.08208	7.3
245.06581	0.5
249.22350	0.3
253.09277	1.6
256.13281	1.3
263.07727	0.7
265.21664	0.5
275.20148	4.1
276.20535	0.4
277.09207	0.3
279.23282	46.4
280.23605	3.3
287.07703	2.2
293.21213	100.0
294.21570	7.6
305.08734	3.2
323.09811	1.0
379.12543	0.5
397.13507	75.9
398.13824	6.5
415.14554	24.4
416.15060	1.9
548.30646	0.3
677.37634	6.5
678.38190	1.1
808.92566	0.3
933.81110	0.3
942.40509	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	967.5674
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03448	1.5
70.89964	0.6
71.01010	1.2
71.01385	19.5
72.99300	2.1
73.02943	2.6
73.51417	0.6
74.68851	0.5
80.96520	19.6
81.03444	1.1
83.01381	2.0
85.02943	4.3
87.00875	5.5
89.02451	18.4
94.00313	0.6
95.01416	1.8
97.02969	2.6
98.86687	0.7
99.00875	1.1
101.01810	1.1
101.02452	17.8
111.04499	0.9
113.02468	10.1
119.03515	6.0
125.02464	6.6
131.03523	1.2
136.23027	0.5
143.03522	3.0
161.04584	4.4
165.12862	7.4
179.05562	3.0
221.06665	1.6
229.39224	0.6
235.08197	7.8
247.20609	4.5
253.09271	2.3
273.18567	1.8
277.09250	0.8
277.21716	52.5
278.22037	4.9
287.07669	4.2
291.16330	7.9
291.19659	27.6
291.22989	1.0
292.16858	1.0
292.19812	2.9
305.08759	4.7
323.09784	1.4
379.12555	1.0
397.13522	100.0
398.13675	6.2
400.92810	0.6
415.14575	30.1
416.14859	2.7
501.31158	0.6
675.36310	5.6
676.36768	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	963.5252
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95907	26.7
96.96966	1.9
116.80575	0.1
150.98029	0.5
152.99602	39.1
153.99925	0.6
171.00653	11.2
172.00983	0.2
227.03252	2.3
230.51053	0.2
245.04303	53.4
246.04631	1.4
253.21713	21.3
254.22066	1.5
481.25699	100.0
482.26053	12.3
516.08319	0.2
583.93469	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	965.6581
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02894	0.1
83.05050	0.1
96.96013	0.1
97.06606	0.3
98.19845	0.2
99.04522	1.0
109.06599	0.2
111.08139	0.1
121.06629	0.1
135.33223	0.1
149.09711	0.1
163.11250	0.1
165.12857	1.1
167.10817	0.4
183.13971	0.1
189.00354	0.1
189.12878	0.2
191.10904	0.1
207.13892	2.1
208.14153	0.1
209.11829	4.9
210.12167	0.3
225.14958	3.3
226.15263	0.2
227.12878	28.5
228.13229	1.5
243.16022	0.1
251.12856	1.1
252.13321	0.1
269.13919	7.0
270.14374	0.4
285.13272	0.1
287.14978	100.0
288.15311	6.6
372.26837	0.1
417.86642	0.1
436.34296	0.1
531.07794	0.1
600.42230	0.1
677.50006	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	961.5781
Annotation	Unknow
Peak:m/z	Relative Intensity
67.93456	0.4
69.03452	1.1
71.01386	13.8
72.99305	0.9
73.02948	2.3
75.17083	0.3
81.03448	0.6
83.01384	2.9
83.05009	0.4
85.02950	3.8
87.00888	2.4
87.04458	0.4
88.04060	1.5
89.02448	11.6
95.01406	1.3
95.05030	0.3
97.02961	2.6
98.03290	0.3
99.00877	1.2
101.02451	13.3
102.02792	0.3
102.05623	0.4
110.53279	0.3
111.04499	0.6
113.02470	6.3
119.03519	3.3
119.68556	0.3
121.02957	0.3
125.02464	5.3
126.02867	0.3
127.11286	0.9
128.03535	0.3
131.03505	0.8
133.05072	0.7
133.20267	0.3
139.11369	0.4
141.01981	0.3
143.03540	2.0
149.04596	0.4
155.10820	2.1
157.12390	0.4
161.04570	5.7
171.10284	4.0
179.05638	2.5
201.11224	0.3
209.15422	0.3
221.06700	0.5
231.17374	0.4
235.08228	6.1
249.18582	35.5
250.18944	3.3
253.09232	4.4
277.21722	0.5
287.07813	1.5
293.21124	0.3
295.22791	5.6
296.23175	0.5
305.08835	1.7
309.17255	0.4
309.20618	0.8
310.20920	1.1
311.22079	2.0
312.22549	0.8
313.23840	100.0
314.24194	9.5
314.27893	0.4
323.09854	0.7
397.13525	68.3
398.13840	5.4
399.13895	0.7
400.14484	0.4
415.14584	22.6
416.15140	1.7
418.15427	0.4
452.29175	0.4
647.32892	7.9
648.33240	1.3
820.74927	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	961.5788
Annotation	Unknow
Peak:m/z	Relative Intensity
66.82207	0.6
69.03459	1.2
71.01382	19.5
71.47701	0.9
72.99310	2.1
73.02950	3.7
74.06137	0.6
78.95931	0.9
81.03452	0.9
83.01395	3.4
83.05038	1.8
85.02948	5.6
87.00872	4.6
89.02451	19.4
95.01409	1.7
97.02957	3.9
97.06619	0.9
99.00877	1.5
99.08185	0.7
101.01806	1.2
101.02454	20.0
101.03117	1.0
104.03546	1.0
111.00872	0.7
111.04537	0.8
111.40509	0.5
113.02460	10.2
113.09733	2.3
115.04008	0.8
115.94846	0.5
116.92814	0.5
119.03540	3.9
121.10232	1.2
125.02464	7.5
125.09664	0.7
127.11286	1.4
131.03497	1.2
133.05051	0.9
137.09656	0.6
139.11317	5.2
142.92210	0.6
143.03506	2.7
145.05023	0.5
161.04568	6.0
163.11285	1.0
165.12843	1.4
167.10843	0.6
171.10300	14.0
172.55573	0.6
173.89119	0.6
179.05618	3.2
185.11826	0.9
193.12325	7.3
197.11845	2.0
209.11893	0.8
211.13441	5.5
221.06573	0.7
225.92642	1.0
233.19305	0.7
235.08194	7.9
251.20148	64.0
252.20471	5.5
253.09206	4.9
263.07782	0.7
287.07791	3.0
291.19910	0.8
293.21213	13.0
294.21515	1.6
305.08737	2.3
309.20810	1.3
310.21054	1.2
311.22275	81.5
312.22650	7.5
323.09811	1.2
397.13516	100.0
398.13858	10.0
415.14548	31.2
416.14935	2.9
649.34601	13.2
650.35114	2.6
685.55518	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	957.5476
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01881	0.6
68.99815	0.3
69.03453	2.8
69.96764	1.2
71.01385	16.5
71.05019	0.4
72.99313	1.7
73.02952	3.1
80.02657	0.3
81.03474	1.3
81.59532	0.2
81.90968	0.2
83.01389	3.7
83.05030	2.0
84.02180	0.5
85.02961	5.5
87.00888	3.0
89.02453	13.2
91.03981	0.4
93.03445	0.5
95.01410	2.7
95.05013	0.7
97.02959	22.0
97.06592	0.7
98.03291	0.4
99.00893	5.1
101.02454	17.2
102.02736	0.4
107.05012	0.3
109.02953	0.5
109.06612	0.7
111.00919	1.2
111.04532	0.4
111.08194	1.2
113.02466	8.5
113.09715	0.4
115.04020	0.3
119.03507	3.3
119.08712	1.9
121.02944	0.4
123.00913	0.6
123.04511	0.5
123.08166	0.4
125.02468	5.2
125.09756	1.2
127.11303	0.6
129.01869	0.3
131.03481	1.0
133.05070	0.8
135.08183	0.4
137.06114	0.7
137.09738	8.4
142.92030	0.2
143.03514	2.8
144.32033	0.2
149.04510	0.4
149.09708	0.5
151.04033	10.9
151.07664	29.2
152.04337	0.4
152.08456	14.3
153.09038	1.1
155.10780	0.7
156.35463	0.2
157.05020	0.2
161.04568	5.4
162.10522	1.2
163.11261	0.9
165.09157	0.4
165.12872	1.6
167.03447	0.3
167.07147	0.4
167.10735	0.8
169.05051	0.3
169.12331	0.3
171.10291	16.3
172.10623	0.6
175.07628	0.6
177.12836	1.2
179.05623	2.2
179.07072	0.4
179.10712	0.3
179.14418	0.9
180.07875	0.3
181.12354	0.5
183.13878	0.3
184.07419	2.8
185.11798	1.9
190.10022	1.7
193.08690	2.2
193.12302	0.6
193.15971	0.5
195.13887	1.4
197.11832	0.7
199.06079	0.3
201.11368	0.4
205.19637	0.4
207.10222	0.3
208.11024	2.3
209.15472	30.3
210.15829	2.2
211.13393	1.9
217.07191	0.4
219.17542	0.8
221.06648	0.7
221.11832	2.3
221.19019	0.3
223.13438	0.5
231.17479	0.4
235.08215	6.9
239.12874	1.9
240.13632	0.3
247.17049	2.3
247.20671	2.1
249.18584	42.8
250.18921	3.5
252.10023	5.0
253.09229	5.1
263.07632	0.5
263.20013	0.4
265.15314	0.5
265.18069	7.0
266.18420	0.6
273.18604	2.2
287.07709	1.7
291.16119	2.7
291.19620	21.2
292.16565	0.4
292.19931	1.7
305.08798	1.7
309.17059	51.7
309.20691	100.0
310.17398	4.8
310.21045	8.2
317.17896	0.2
323.09842	0.6
379.12479	0.5
397.13519	82.9
398.13846	6.6
415.14569	26.7
416.14819	1.9
485.27548	0.3
640.43567	0.3
647.32880	10.2
648.33276	1.7
758.62177	0.3
979.53320	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	957.5467
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01877	0.5
69.03455	3.6
71.01382	13.3
71.57550	0.4
71.57975	0.6
72.99303	1.1
73.02946	2.7
76.74881	0.4
78.97415	0.4
81.03449	1.0
83.01397	2.5
83.05004	1.3
83.28645	0.4
83.47860	0.4
85.02959	5.6
87.00897	2.7
89.02452	9.7
91.04007	0.5
93.03494	0.5
95.01419	1.1
95.05009	0.6
97.02962	25.7
97.06577	0.5
98.03252	0.6
99.00896	0.6
101.01800	0.8
101.02454	13.9
111.08139	1.3
113.02462	7.1
119.03497	2.1
119.08660	2.8
121.10271	0.6
125.02483	3.3
125.09733	2.7
127.11278	0.8
131.03508	0.6
133.05110	0.9
135.08130	0.8
137.09735	11.0
138.10101	0.6
139.14432	0.5
139.87334	0.5
143.03481	2.5
153.09239	0.6
155.10760	1.2
161.04587	4.5
167.10742	1.1
169.05138	0.5
171.10283	25.5
172.10605	1.4
177.12982	0.5
179.05621	1.3
183.10233	1.1
183.13857	0.8
185.11891	4.4
195.13931	1.3
201.11252	1.0
205.19731	0.7
211.13414	3.1
213.11469	0.7
221.11740	2.0
233.15442	0.7
235.08228	4.6
239.12744	2.2
240.13437	0.8
247.17050	0.5
247.20699	0.8
249.18579	35.9
249.57019	0.5
250.18938	2.3
253.09250	5.0
263.07330	0.5
273.18616	2.5
287.07721	1.0
291.19644	14.9
292.20074	1.3
305.08813	1.5
309.20700	100.0
310.21054	9.1
323.09634	0.6
397.13516	69.9
398.13879	5.6
415.14569	22.4
416.14911	1.3
549.19763	0.5
647.32971	7.3
648.33099	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	949.614
Annotation	Unknow
Peak:m/z	Relative Intensity
68.94554	0.1
69.03448	1.0
70.74337	0.3
70.74702	0.3
71.01382	14.0
72.01716	0.2
72.99310	1.2
73.02953	2.3
75.00874	0.5
81.03442	0.6
83.01388	1.5
83.05000	0.3
85.02956	3.0
87.00882	3.4
89.02446	12.2
90.02779	0.2
91.04021	0.3
93.03473	0.2
95.01382	1.2
97.02953	2.5
97.06611	0.2
99.00891	1.0
101.02450	11.2
106.68035	0.1
107.01420	0.1
109.03004	0.2
111.00912	0.2
111.04530	0.4
113.02456	5.7
113.09727	1.5
114.02755	0.2
115.04008	0.4
119.03516	3.2
121.02958	0.3
123.00873	0.1
123.04562	0.2
125.01530	0.2
125.02455	4.8
127.03991	0.3
131.03505	0.6
133.05095	0.4
139.04031	0.4
141.01938	0.3
143.03505	2.1
149.02489	0.2
149.04549	0.3
157.04967	0.1
161.04573	2.7
167.03566	0.2
169.05025	0.3
177.12874	0.5
179.05632	2.3
179.14386	1.0
181.12360	0.4
185.04387	0.3
195.13905	14.8
196.14195	0.7
199.06133	0.3
203.05650	0.1
203.62111	0.1
217.07132	0.2
219.05034	0.1
221.06592	1.2
233.22673	0.3
235.08215	5.7
236.08601	0.2
245.06645	0.4
251.23695	0.4
253.09204	0.9
255.23271	33.4
256.23593	2.9
263.05252	0.1
263.07629	0.7
269.24841	0.2
277.09326	0.2
277.21704	13.4
278.22083	1.2
279.46030	0.1
287.07736	2.0
288.08133	0.2
293.21353	0.2
295.22766	100.0
296.23102	7.9
305.08771	2.4
306.08908	0.2
323.09726	0.6
379.12387	0.5
397.13492	63.1
398.13818	5.1
415.14545	17.3
416.14816	1.2
653.37622	8.1
654.38031	1.4
772.26038	0.2
956.00287	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	947.6141
Annotation	Unknow
Peak:m/z	Relative Intensity
68.52140	0.1
69.42210	1.0
69.42616	0.2
78.95907	18.4
79.33175	0.1
87.30698	0.1
103.46331	0.1
104.97469	0.2
108.36647	0.1
122.00193	0.6
128.51456	0.1
133.62297	0.1
134.98523	0.3
140.01192	5.1
152.99594	1.7
166.02736	0.2
175.82509	0.1
178.29056	0.1
196.03796	9.2
197.04156	0.4
214.04861	1.8
225.02756	0.1
237.22223	0.1
255.23274	100.0
256.23608	7.6
256.26361	0.3
277.21878	0.2
279.23306	1.0
396.02115	0.2
452.27789	85.5
453.28128	9.5
480.30890	0.2
507.27274	0.8
508.27740	0.2
722.13928	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	947.5987
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03453	1.0
69.11933	0.2
70.85500	0.4
70.85834	0.5
71.01385	21.4
71.91341	0.2
72.01745	0.2
72.99310	2.5
73.02950	3.7
75.00877	0.6
78.95905	0.4
81.03478	1.3
82.09679	0.2
83.01392	2.6
83.05047	0.4
85.02957	4.7
87.00879	5.1
89.02452	20.8
91.04011	0.3
95.01409	1.7
97.02957	4.6
98.20551	0.3
99.00900	1.6
99.04497	0.3
101.02455	18.7
102.02840	0.4
103.04030	0.3
109.02957	0.5
111.00891	0.4
111.04518	0.9
113.02463	9.1
113.09731	3.4
115.04002	0.8
119.03518	4.8
121.03005	0.4
121.10247	0.8
123.04465	0.4
123.48206	0.3
124.01666	0.3
125.02458	8.0
127.04057	0.4
129.02008	0.3
129.70700	0.2
131.03540	0.6
133.05075	0.6
139.04012	0.6
141.01996	0.4
143.03525	3.3
149.04529	0.5
152.99542	0.4
161.04552	3.8
167.03517	0.4
167.10791	0.5
169.05107	0.5
171.10274	2.1
179.05634	3.6
179.10757	0.5
185.04602	0.5
185.11830	0.3
195.13890	0.7
209.11847	1.3
210.12231	0.4
217.07123	0.4
219.05125	0.3
221.06633	1.3
221.15363	0.3
231.21169	0.3
235.08237	10.1
236.08551	0.4
245.06729	0.6
249.22145	0.4
253.09206	1.5
255.23280	54.3
256.23621	4.5
263.07724	0.6
269.24918	0.3
275.20203	1.8
277.09247	0.4
277.21677	0.9
278.21909	0.5
279.23279	2.0
287.07657	3.1
288.08179	0.3
293.21216	21.2
294.21667	1.9
305.08841	4.0
323.09720	1.1
375.34946	0.3
379.12375	0.8
397.13516	100.0
398.13852	7.7
415.14569	27.5
416.14908	2.5
507.27396	1.4
653.26733	0.6
653.37659	11.2
654.37988	2.0
707.07172	0.3
871.76642	0.3
929.65125	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	947.4176
Annotation	Unknow
Peak:m/z	Relative Intensity
66.00749	0.1
69.03457	0.5
71.01389	25.0
71.37617	0.4
72.01735	0.4
72.99315	1.6
73.02955	6.4
74.03242	0.2
74.76662	0.2
75.00879	0.3
81.03461	0.2
83.01392	3.2
85.02956	9.8
86.03294	0.2
87.00884	2.0
89.02456	15.9
90.02782	0.2
95.01406	3.0
96.96030	0.2
97.02962	0.7
99.00885	2.0
101.02458	17.3
102.02799	0.3
109.06622	0.3
111.00899	0.3
113.02467	17.0
114.02806	0.3
119.03519	7.0
123.08178	0.9
125.02483	1.1
127.00394	0.7
129.01956	0.3
131.03517	0.9
135.08194	0.2
143.03511	2.5
149.04559	1.0
151.11299	0.2
159.03035	0.8
161.04579	5.3
161.05911	0.3
163.11241	0.4
169.35104	0.2
178.99945	0.3
179.05646	2.9
179.07050	0.1
181.12224	0.2
189.00417	0.8
189.12834	1.2
193.59456	0.2
195.13919	3.0
197.15479	0.4
205.03513	0.2
207.13911	1.1
225.14977	4.2
226.15321	0.2
295.15738	0.2
300.03198	0.2
321.17111	0.2
369.19199	44.8
370.19574	4.1
387.20255	23.5
388.20615	2.4
429.21304	100.0
430.21637	11.8
527.69434	0.2
550.21191	0.2
787.20844	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	934.5451
Annotation	Unknow
Peak:m/z	Relative Intensity
71.70111	0.2
71.70494	0.2
78.95908	23.3
96.96974	1.7
105.55279	0.2
150.98056	0.4
152.99603	37.3
153.99940	0.6
171.00653	10.8
186.66910	0.2
227.03288	2.4
245.04301	54.1
246.04617	1.4
251.27933	0.2
253.21712	24.6
254.22040	1.7
255.23250	1.5
277.21820	0.2
319.32928	0.2
363.29614	0.2
410.90918	0.2
431.97198	0.3
435.56857	0.2
452.27942	0.8
463.90207	0.2
481.25693	100.0
482.26080	11.9
482.33267	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	941.5155
Annotation	Unknow
Peak:m/z	Relative Intensity
68.77743	0.1
71.01385	7.7
72.01724	0.1
73.02950	0.1
84.00095	0.1
91.02417	0.1
125.02438	0.1
127.07658	1.0
144.45061	0.1
148.05228	0.5
149.06082	0.1
151.07635	0.7
161.04587	0.2
164.08418	0.9
175.11293	0.1
177.09222	3.3
178.09438	0.1
190.09981	0.4
191.10823	0.2
192.11565	7.1
193.12106	0.7
196.07399	0.1
205.12341	2.9
206.12869	0.2
207.13884	1.6
217.08705	0.4
218.09471	2.5
219.09865	0.2
220.14691	38.9
221.15454	100.0
222.15794	6.6
230.15033	0.1
235.13362	1.4
236.10529	86.0
237.10899	6.3
249.18610	0.3
253.14452	0.3
293.17569	67.5
294.17905	5.6
294.21307	0.2
311.80084	0.1
322.31870	0.1
397.13617	0.6
415.14639	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	925.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00331	0.5
67.01947	0.1
71.60646	0.2
81.03463	0.4
93.03465	0.2
99.04510	0.2
99.24873	0.1
101.02429	0.2
105.03458	1.3
105.07108	0.7
107.01394	1.8
107.05018	0.6
108.02172	0.2
119.05011	0.2
121.02958	0.1
121.06610	0.1
123.04542	0.7
125.02461	0.2
133.03008	0.3
147.04578	0.3
148.01814	0.1
149.02455	18.1
149.06093	6.7
150.02748	0.9
150.06410	0.4
151.04048	0.6
155.10808	1.2
161.04536	0.2
163.04019	0.9
164.04767	0.5
171.54698	0.1
175.04031	0.6
176.01143	1.6
177.01936	14.7
178.02280	0.6
189.00467	0.1
191.03510	1.4
192.04283	0.9
193.05060	100.0
194.05389	5.3
194.07201	0.3
199.09819	0.6
205.05066	0.3
207.06689	0.1
217.05063	0.8
231.02679	0.1
235.06111	3.7
236.06424	0.3
240.63129	0.1
255.03029	0.2
283.02536	0.6
285.03946	0.2
321.06061	0.9
337.09412	0.2
339.07181	6.1
340.07440	0.6
355.10397	1.6
361.15048	1.1
363.07080	0.2
381.08237	3.3
382.08566	0.3
397.11389	87.2
398.11713	9.2
423.09390	0.5
430.09131	0.2
441.10385	5.9
442.10526	0.6
483.11490	1.3
484.11414	0.2
563.13586	0.6
609.09698	0.1
634.18103	0.1
892.50085	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	925.2279
Annotation	Unknow
Peak:m/z	Relative Intensity
70.01975	0.1
70.43975	0.1
70.58030	0.5
70.58463	0.2
71.01400	0.4
73.02972	0.1
77.33752	0.2
93.03480	0.8
99.04529	1.7
101.02446	0.6
105.03461	0.6
108.02179	1.2
110.96774	0.2
120.02183	0.4
121.02956	1.0
123.04549	0.8
125.02466	0.4
132.02197	0.3
133.02988	1.5
134.03235	0.2
136.82890	0.1
148.01688	0.6
149.02472	1.3
161.04573	1.6
175.04074	0.4
176.01163	12.8
177.01941	100.0
178.02283	4.6
191.03528	0.2
191.05444	0.1
191.56009	0.1
193.05101	0.6
214.99194	0.1
219.02950	0.5
219.51566	0.1
221.71071	0.1
225.52943	0.1
321.06134	1.0
339.07242	1.2
347.09866	0.5
355.10419	0.5
363.07193	4.7
364.07599	0.5
374.22559	0.2
374.98505	0.1
381.08264	64.0
382.08594	6.2
423.09335	11.6
424.09604	1.0
463.12323	1.5
464.12677	0.3
483.11902	0.2
525.12469	3.2
526.12659	0.5
555.41412	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	915.4267
Annotation	Unknow
Peak:m/z	Relative Intensity
63.46971	0.1
65.00332	0.2
71.01377	0.3
73.02953	0.2
83.01386	0.3
87.00179	0.1
96.95984	0.2
101.02464	0.1
107.01403	0.8
108.02188	0.3
109.02955	0.4
121.02948	0.4
124.01648	0.1
125.02442	0.3
135.00885	0.3
137.02428	0.2
137.83360	0.1
139.00981	0.1
144.93611	0.1
148.01651	0.3
149.02440	0.2
151.00391	3.6
152.00797	0.1
161.02496	0.2
163.00388	1.2
163.04013	0.2
164.01172	0.2
165.01990	0.1
166.02736	0.1
169.01411	0.5
174.03217	0.2
175.04062	0.2
178.99881	2.6
183.04491	0.2
187.04060	0.2
188.04822	0.3
189.00374	0.2
190.02728	0.4
190.99883	0.2
191.03444	0.2
191.05414	0.2
192.00543	0.1
193.05119	0.2
198.03252	0.4
199.03998	0.4
201.05453	0.1
203.03516	0.2
211.04082	0.2
215.03487	0.2
216.04219	0.4
221.00835	0.2
226.02724	2.8
227.03468	1.6
228.04173	0.2
229.05104	0.2
229.29877	0.1
243.02972	7.8
244.03552	0.6
254.02208	3.3
255.02979	5.3
255.05261	0.1
256.03427	0.4
271.02448	37.1
272.02921	4.1
273.03955	0.3
283.02356	0.3
299.01974	0.4
300.02747	51.1
301.03415	14.1
302.03821	1.0
343.04617	0.6
462.07886	0.2
463.08777	100.0
464.09128	10.0
692.59711	0.1
728.05536	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	907.6516
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01884	0.2
67.09413	0.1
69.03452	0.2
70.74696	0.1
71.01421	0.1
71.05015	0.1
78.56705	0.1
81.03466	0.9
83.05032	2.6
84.02186	0.1
85.02961	0.3
97.06593	0.1
97.54743	0.1
98.19778	0.1
101.02440	0.1
101.06085	0.1
108.04591	0.1
125.07220	0.1
125.09749	1.4
127.11313	2.5
143.08237	0.1
153.09261	0.1
155.10762	0.1
155.14453	0.7
163.11272	0.1
165.12860	0.5
167.10851	0.1
167.14430	1.7
171.10292	2.6
172.10547	0.1
181.12354	0.1
183.13898	1.2
193.12352	0.5
201.14992	0.1
207.15080	0.2
209.11827	2.1
211.13402	6.9
212.13832	0.4
217.82971	0.1
224.17676	0.2
225.16092	2.1
226.16251	0.1
227.12859	0.1
229.14441	100.0
230.14784	5.3
242.18646	0.1
309.21948	0.1
341.29138	0.1
367.27112	0.2
433.32071	0.2
450.34402	0.2
451.32877	1.6
452.33109	0.2
550.43353	0.2
593.44037	0.1
659.48828	0.4
660.49860	0.1
677.49902	35.2
678.50220	6.5
756.76202	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	895.5454
Annotation	Unknow
Peak:m/z	Relative Intensity
66.71637	0.3
68.66222	0.4
69.03452	2.1
69.39825	2.8
69.40251	1.4
71.01383	42.9
72.99306	3.3
73.02949	7.9
75.00868	2.0
78.95911	1.0
81.03447	0.6
81.51691	0.3
83.00910	0.7
83.01393	10.0
84.02170	0.5
85.02956	13.8
85.03470	0.9
87.00882	54.1
88.01225	0.9
89.02450	32.7
90.02768	0.9
94.36671	0.4
95.01405	4.7
95.05047	0.5
97.02943	2.2
97.06573	0.8
99.00881	2.2
101.02454	26.7
106.22062	0.4
111.00890	1.6
111.08144	0.5
113.02460	32.9
114.02789	0.7
114.19824	0.5
115.04016	1.4
116.92830	0.4
117.01944	0.7
119.03516	9.4
121.06519	0.4
121.10240	1.7
125.02452	2.5
125.06135	0.8
125.09682	0.4
129.01945	2.0
131.03558	2.2
139.07632	1.5
141.01947	4.2
143.03508	7.8
144.03873	0.4
149.04564	1.2
159.03021	0.6
161.04570	13.8
171.10301	4.7
179.05634	12.3
180.05846	0.5
205.19629	0.5
208.74911	0.4
255.21037	0.7
259.20676	0.7
263.23782	1.0
273.22250	4.1
275.20145	7.5
276.20483	0.5
277.21713	100.0
278.22083	8.2
291.23288	20.8
292.23550	1.7
293.21225	10.8
294.21442	0.9
301.21753	3.8
319.22784	15.9
320.23114	1.3
323.09818	51.7
324.10217	3.1
331.22736	1.2
341.10889	95.6
342.11209	5.8
349.23901	1.8
379.25000	1.2
439.26511	0.6
601.32288	37.7
602.32642	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	909.2699
Annotation	Unknow
Peak:m/z	Relative Intensity
65.62360	0.7
69.03433	0.8
71.01384	38.6
71.61176	1.2
72.99297	0.8
73.02947	14.0
81.03461	2.7
83.01390	5.4
84.11636	0.9
85.02959	14.5
87.00888	1.1
89.02430	1.7
95.01389	2.8
96.96037	1.1
97.02969	2.2
99.00893	6.4
99.04527	100.0
100.04855	2.3
101.02451	41.1
108.02199	1.5
113.02467	11.6
124.91067	0.8
125.02464	42.0
126.02787	1.3
127.00394	1.0
127.13480	0.6
133.01733	0.7
143.03514	6.7
145.02925	0.7
147.04544	7.2
148.01666	0.8
159.02997	3.1
161.04576	13.3
165.68001	0.7
173.06081	21.4
174.06444	1.1
177.01886	0.8
187.04019	8.9
188.04797	4.0
189.00369	2.4
189.05219	0.7
191.03500	0.8
191.05688	0.9
193.05173	1.4
203.05551	14.4
203.07150	54.5
204.07484	2.8
211.34744	0.7
217.05067	1.4
242.41135	0.7
244.17126	0.7
269.10272	22.1
270.10580	1.6
284.03171	1.0
311.11346	21.9
312.11557	2.0
315.09799	0.9
321.96350	0.7
351.10287	1.2
351.14273	6.7
355.10263	1.6
413.14511	75.5
414.14923	6.7
451.12442	72.1
452.12723	8.0
593.15051	1.6
876.26892	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.4001
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98826	1.8
69.03454	2.1
70.03728	0.5
71.01385	38.2
71.66554	0.7
72.99307	2.6
73.02949	10.2
75.00909	0.6
81.03461	1.0
83.01391	5.3
85.02950	12.1
87.00873	6.1
88.98795	1.1
89.02449	18.5
94.22226	0.6
95.01411	3.2
96.95978	0.7
97.02950	3.6
99.00893	4.7
101.02451	25.5
109.15974	0.6
111.00884	2.8
113.02464	14.9
119.03516	7.1
125.02467	6.2
127.00381	1.6
131.03528	4.3
141.01936	0.9
143.03516	3.4
148.27672	0.7
149.04498	0.7
159.02977	1.2
161.04568	7.6
179.05580	2.9
189.00406	2.2
221.06705	4.2
245.06606	1.0
255.19461	0.6
263.07596	0.8
295.22733	0.6
341.44678	0.7
383.11938	0.7
721.36121	0.8
739.37378	1.3
799.39368	1.0
823.39697	2.0
841.41077	100.0
842.41425	24.9
842.57581	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	889.3015
Annotation	Unknow
Peak:m/z	Relative Intensity
68.85705	0.2
70.33205	0.5
71.01385	0.7
73.02937	0.2
93.03476	0.5
96.96031	0.2
99.04534	1.9
101.02468	0.5
105.03465	0.2
108.02171	0.8
114.30660	0.2
120.02248	0.3
121.02943	0.7
123.04533	0.8
125.02460	0.6
127.00394	0.3
132.02155	0.3
133.02975	1.4
137.75677	0.2
139.11304	1.0
139.12222	0.2
147.04552	0.2
148.01691	0.4
149.02509	1.0
150.19777	0.2
161.04590	1.0
169.91821	0.2
175.04022	0.5
175.99608	0.3
176.01170	10.5
177.01945	100.0
178.02286	4.7
181.12361	0.4
183.10280	1.5
189.00409	0.3
191.05692	0.2
193.05037	0.4
199.13358	0.2
219.03009	0.3
225.11388	0.6
243.12383	2.4
244.12773	0.2
254.78799	0.2
305.08823	1.4
321.06174	6.5
322.06436	0.5
339.07217	49.2
340.07535	3.8
361.16562	0.3
381.08273	10.8
382.08755	1.0
405.17664	6.1
406.18042	0.8
421.11447	1.2
483.11398	19.2
484.11752	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	881.3117
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03484	0.7
69.25462	3.1
69.25883	1.6
71.01384	33.3
72.01723	0.7
72.99313	2.0
73.02948	7.1
80.33642	0.4
83.01392	4.2
85.02953	12.0
87.00896	1.8
87.35519	0.4
89.02448	20.5
90.02782	0.5
95.01397	2.6
96.96046	0.4
97.02951	0.8
99.00894	2.4
101.02450	20.7
102.02789	0.7
109.06611	0.4
112.01571	0.4
113.02458	21.2
114.02801	0.5
119.03516	9.0
122.06128	0.4
123.08181	1.3
125.02475	1.5
131.03555	1.4
139.11296	3.3
140.11656	1.5
143.03485	3.0
149.04593	1.1
159.03052	0.9
161.04565	6.9
163.11285	0.6
179.05608	4.7
181.05086	0.4
181.12358	2.6
182.12692	0.9
183.10263	4.8
184.10617	1.7
185.10809	0.5
189.12865	1.6
195.13881	3.6
197.15396	0.5
199.13455	1.4
200.13777	0.6
203.05670	0.4
207.13969	0.8
219.06590	0.5
221.06654	0.9
225.11354	1.8
225.14914	4.7
226.11734	1.0
243.12350	20.5
244.12689	10.8
245.12892	3.8
285.13495	0.7
331.85968	0.5
345.10886	1.1
369.19174	59.5
370.10989	0.5
370.19543	5.6
383.11932	0.6
387.20239	31.6
388.20236	2.7
405.17636	6.9
406.18011	7.2
407.09738	1.5
407.18039	5.4
429.21274	100.0
430.21634	12.2
543.98474	0.5
624.07257	0.4
894.80310	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	881.3115
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98819	1.7
69.03459	1.0
71.01385	32.7
71.60834	0.8
72.01709	1.0
72.58904	0.6
72.99310	1.0
73.02953	21.8
73.03365	1.3
75.00878	0.7
83.01391	7.4
85.02957	9.7
87.00869	1.1
89.02442	5.9
95.01400	2.6
95.05022	1.1
97.02961	3.8
99.00886	2.5
101.02457	18.1
102.02786	0.8
107.04995	0.6
108.05845	1.5
109.06603	1.4
111.04527	1.3
112.61155	0.5
113.01731	1.2
113.02467	14.1
113.06103	2.2
115.02940	0.5
119.03516	1.3
122.03732	0.8
123.08108	2.8
125.02458	1.3
125.06111	2.0
131.03520	1.3
135.08223	1.2
136.05296	3.2
137.06133	0.8
138.06888	18.8
139.07684	6.8
143.03519	1.8
147.08263	0.7
149.04535	1.2
151.07658	15.7
152.04913	1.3
152.08449	25.6
153.09230	100.0
154.09578	4.4
159.03027	1.1
161.04555	10.7
161.09779	1.6
162.04970	1.6
163.05028	0.7
163.11322	1.4
165.09175	2.8
167.07133	1.4
173.06126	0.9
174.06364	0.9
179.05702	0.9
179.10709	1.0
187.11246	1.4
190.10037	2.4
197.04741	0.9
203.05661	3.1
203.07207	3.2
204.07549	1.4
205.12331	33.7
206.12724	2.2
221.06639	0.7
223.13397	35.8
224.13742	2.2
367.17618	35.7
368.18054	4.0
385.18674	10.1
386.19229	1.2
409.11310	7.6
410.11707	8.7
411.11942	6.7
427.19711	68.7
428.20068	7.9
471.19052	1.4
501.58789	0.6
619.29010	0.6
633.59729	0.6
664.73187	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	879.3318
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01383	100.0
71.60793	1.4
72.01686	1.2
72.99303	2.2
73.02947	35.0
75.00867	1.9
83.01395	13.3
85.02952	56.1
87.00890	2.4
89.02459	5.3
93.03438	1.1
95.01395	8.2
97.02956	2.4
97.18763	1.0
99.00880	14.7
99.69484	0.9
101.02451	70.7
102.02808	1.2
107.05006	1.4
108.02190	1.3
109.02966	3.0
113.02460	44.9
119.03545	1.5
121.03001	6.2
122.03748	5.8
125.02447	2.9
127.83535	1.2
129.01990	1.4
135.04532	1.6
137.02530	1.2
143.03522	4.4
147.04527	5.0
159.02997	11.4
161.04570	55.1
162.04897	1.9
165.05579	11.9
166.05821	1.4
173.06064	9.1
177.01987	1.4
179.05656	1.1
179.07130	4.5
187.03995	2.4
188.04771	1.8
203.07147	25.4
205.03450	1.5
223.92654	1.3
239.25757	1.0
251.09163	1.9
269.10287	84.9
270.10626	5.6
311.11356	65.1
312.11664	4.5
346.14130	6.3
355.10379	3.8
361.16565	88.7
362.16992	8.0
409.11380	86.4
410.11810	10.0
469.13373	4.5
523.21863	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	879.3898
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01385	2.4
71.69446	0.2
71.69876	0.2
72.99283	0.2
73.02949	2.2
77.19727	0.2
83.01387	0.7
83.05036	0.2
85.02953	1.2
87.00914	0.2
89.02465	1.0
95.01378	0.3
95.05019	0.4
96.96035	0.2
101.02444	1.5
113.02464	1.7
119.03511	0.5
121.03020	0.2
129.05608	0.4
137.09749	0.3
139.11310	14.9
140.11629	0.6
141.70844	0.1
161.04567	0.4
163.11296	0.7
164.42361	0.1
165.09219	0.6
179.05675	0.2
179.07149	0.4
181.12363	9.7
182.12686	0.7
183.10280	21.3
184.10616	1.1
189.00591	0.1
191.05630	0.3
195.13857	0.1
197.11777	0.3
199.13411	7.1
200.13698	0.4
205.12352	0.2
207.10242	0.5
225.11322	7.9
226.11708	0.5
243.12366	100.0
244.12701	5.7
249.11322	0.8
267.12378	0.3
271.02609	0.2
284.03256	0.3
285.13428	2.0
286.13919	0.2
287.15198	0.4
300.02780	0.4
301.03381	0.3
345.10962	0.3
345.15518	0.7
369.19022	0.8
387.20300	0.6
405.17654	54.7
406.12668	0.3
406.18030	5.8
429.21326	1.6
463.08884	0.4
464.09119	0.2
581.09674	0.2
593.15240	0.2
712.99744	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	872.3798
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
62.98529	0.2
62.99273	0.1
69.92459	0.3
71.01386	0.2
78.89843	0.1
87.00891	0.1
89.02456	0.1
97.14574	0.1
101.02480	0.2
115.58389	0.1
173.00238	0.1
219.11200	0.1
249.18565	0.1
250.18982	0.1
397.13229	0.1
412.70139	0.1
504.55026	0.1
559.19525	0.1
560.19501	0.2
561.19922	0.2
562.19983	0.2
861.47327	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	877.3742
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01312	21.6
71.01725	1.3
71.04986	1.1
73.02877	6.3
83.01319	2.1
85.02955	9.0
87.00820	1.9
89.02455	4.3
95.01309	1.9
97.02900	1.0
97.06487	0.8
99.00816	1.7
101.02451	6.1
111.08101	0.7
113.02458	16.0
115.00307	0.7
115.36139	0.7
119.03437	1.1
125.02281	0.6
127.00306	1.4
134.03766	3.4
135.04475	1.1
136.05222	1.8
138.06870	3.1
139.07596	1.7
139.11310	16.1
141.12732	0.6
143.03467	0.8
149.04471	1.2
151.07664	5.9
152.08449	15.9
153.09229	27.5
154.09531	0.8
161.02374	1.4
161.04555	5.1
163.11137	1.3
165.09183	1.5
177.01833	1.8
179.05530	1.1
179.10727	0.7
181.12358	10.0
182.12532	0.7
183.10278	25.0
184.10501	1.5
189.00334	2.0
190.29318	0.6
191.05553	1.1
193.05058	8.5
199.13390	4.6
205.12328	20.1
206.12543	1.0
221.06682	0.6
223.13412	7.3
225.09299	0.7
225.11319	8.9
229.17868	0.7
243.12357	37.9
244.12544	2.2
308.28513	0.7
339.07541	0.7
367.17621	66.6
368.17838	5.8
385.18762	9.5
386.19101	1.0
405.17645	100.0
406.18008	8.3
427.19736	85.4
428.20065	10.6
471.14935	1.6
523.49963	0.6
748.47784	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	869.4055
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98824	7.8
62.34998	1.0
69.40343	9.4
69.40751	2.2
71.01384	34.2
72.99300	3.7
73.02944	8.9
75.29621	1.1
78.95916	1.3
81.03473	1.9
83.01379	4.5
85.02964	11.0
87.00883	10.0
89.02450	31.8
90.33412	1.0
95.01389	2.4
97.02966	4.4
99.00891	1.5
101.02449	32.5
113.02459	20.3
118.05817	1.2
119.03516	7.3
123.00755	1.0
125.02464	9.3
131.03513	3.7
143.03528	3.4
145.05054	1.2
161.04570	9.5
161.18515	1.0
179.05650	7.7
221.06671	4.1
232.64589	1.1
235.08356	2.5
249.18596	19.6
250.18988	2.8
253.09349	7.4
323.09915	2.2
335.53751	1.2
339.64444	1.3
397.13544	21.4
398.13959	1.8
415.14572	8.0
485.14963	1.5
559.18829	100.0
560.19147	10.6
577.19873	30.6
578.20020	2.7
647.33008	3.2
809.38324	15.6
810.38586	4.4
834.63544	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	869.4051
Annotation	Unknow
Peak:m/z	Relative Intensity
61.58814	0.4
61.98824	2.2
62.70995	0.4
67.63233	0.4
68.99811	0.5
69.03469	2.3
71.01382	38.4
72.01733	0.6
72.99315	3.5
73.02943	7.0
75.00867	0.8
78.06339	0.4
81.03456	1.6
83.01384	5.6
85.02954	9.6
86.00115	0.8
87.00883	10.7
89.02450	34.3
91.04012	0.8
92.70161	0.4
95.01400	2.9
97.02958	3.6
99.00891	1.1
101.02451	30.8
102.02753	0.6
109.02944	0.5
111.00861	1.0
111.04570	0.4
113.02460	17.2
114.02785	0.5
115.04010	0.5
119.03510	7.0
125.02458	10.0
127.00389	0.7
129.01955	0.8
131.03516	4.9
133.05095	0.4
139.03967	0.5
140.49992	0.4
141.01929	0.8
143.03499	4.8
145.05064	0.9
149.04607	0.6
161.04562	11.4
167.03395	0.5
179.05624	8.1
189.00372	0.6
203.05519	1.2
221.06693	4.4
229.70677	0.6
235.08188	4.2
245.06580	0.5
246.93698	0.4
249.18571	19.0
250.18883	1.7
253.09256	6.5
263.07651	0.9
287.07675	1.1
305.08859	1.3
323.09805	2.3
379.12051	0.8
383.11865	1.0
397.13516	21.5
398.13971	1.7
415.14508	9.9
416.14880	1.0
439.14465	0.5
485.15131	1.5
541.17841	0.7
559.18829	100.0
560.19147	11.3
577.19879	28.9
578.20258	3.5
647.32758	2.0
809.38263	16.3
810.38501	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	855.2154
Annotation	Unknow
Peak:m/z	Relative Intensity
63.25571	2.3
64.03092	2.1
71.01387	5.0
73.02945	3.0
74.75028	2.2
79.45286	2.4
89.02461	3.4
98.19919	10.7
101.02435	3.3
113.23602	2.3
118.81714	2.3
121.02908	2.7
134.46809	2.3
161.04590	3.7
166.99734	3.7
179.07043	3.9
182.02188	28.4
189.00247	2.8
197.04532	30.3
280.47635	2.3
375.39133	2.7
401.11005	14.9
445.09015	100.0
446.09372	13.7
529.43433	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	855.39
Annotation	Unknow
Peak:m/z	Relative Intensity
60.01684	2.0
61.98810	3.7
69.03455	3.8
69.44313	4.5
69.44722	14.4
71.01383	86.8
71.05019	1.9
72.99301	7.3
73.02953	19.2
75.00907	2.0
75.21816	1.7
81.03443	3.4
83.01385	15.8
85.02457	3.7
85.02955	39.3
87.00878	14.8
89.02454	29.5
93.03460	2.2
95.01389	12.4
96.96005	2.1
97.02952	7.4
97.06625	2.1
98.20726	4.1
99.00891	13.9
101.02453	40.0
112.01660	3.2
113.02459	52.2
115.03997	3.6
119.03510	11.2
121.10253	3.2
124.01656	6.6
125.02468	19.1
127.00411	1.9
128.57649	1.9
132.23074	1.9
143.03505	9.9
161.04556	6.2
164.14026	1.9
168.74994	2.2
171.13948	2.5
179.05603	3.0
181.12428	3.7
189.00381	4.4
201.14914	7.1
207.10219	4.2
211.31503	1.8
219.13756	2.1
225.11328	6.9
243.12389	2.8
283.75241	2.0
294.11899	2.1
304.43796	2.1
309.07333	1.9
359.28146	3.9
485.31122	5.5
503.32211	19.7
521.33215	6.8
629.35229	2.8
647.36536	100.0
648.37170	18.8
665.37537	87.4
665.48999	2.3
666.37781	16.2
683.38788	20.6
707.38690	59.6
708.39417	10.6
725.39783	51.7
726.40063	11.2
767.40912	12.5
768.41302	3.9
823.36578	11.6
824.36499	2.6
855.37097	5.8
856.33582	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	869.4052
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98836	4.6
68.72259	0.9
69.03476	1.0
71.01384	34.1
71.41434	1.8
72.99287	2.3
73.02953	9.8
75.07420	0.8
78.95917	0.9
81.03482	1.6
83.01387	3.7
85.02955	12.4
87.00877	5.5
89.02455	13.9
91.24015	0.9
95.01408	3.2
97.02960	3.3
99.00885	4.0
101.02452	20.9
111.00900	1.3
113.02461	11.7
119.03508	4.9
119.04260	1.1
125.02473	4.9
127.00357	1.0
131.03484	2.6
143.03510	2.4
161.04529	4.2
177.82481	0.9
179.05667	1.2
183.13947	5.0
186.61784	0.9
189.00407	2.2
221.06651	2.8
279.23264	11.4
280.23563	1.3
297.24353	5.9
298.24564	0.9
338.59534	0.9
352.21677	1.1
359.98300	1.0
441.28485	3.5
459.29599	8.4
460.29633	1.0
501.31165	1.3
621.36023	1.2
665.90558	0.9
765.40283	1.4
825.41431	100.0
826.41870	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	845.4935
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	25.9
61.98827	0.8
69.03440	1.5
71.01382	25.8
71.61242	0.4
71.61660	0.4
72.01717	0.6
72.99307	2.1
73.02945	3.6
75.00835	0.7
81.03439	1.6
83.01385	3.3
85.02950	4.8
87.00882	5.8
89.02451	21.5
95.01407	1.9
97.02949	4.7
99.00887	1.4
99.04525	0.4
101.02448	21.5
101.32114	0.3
107.04994	0.4
109.02992	0.6
111.04525	0.5
112.01624	0.4
113.02462	9.0
115.04005	0.5
119.03521	6.3
125.02460	9.2
131.03517	1.1
133.05040	0.8
139.03999	0.6
139.44853	0.4
143.03491	2.9
149.04561	0.5
156.40730	0.4
161.04581	4.9
169.01419	1.5
169.05043	0.4
169.12344	4.9
179.05612	4.0
203.05498	0.6
209.04393	0.4
217.07108	0.4
221.06686	1.5
230.72264	0.4
235.08214	9.4
236.08560	0.5
253.09280	2.5
263.07712	0.9
275.20157	0.4
277.21710	61.9
278.22067	5.2
287.07788	3.2
305.08755	3.5
323.09735	1.2
379.12286	0.6
397.13513	100.0
398.13849	9.1
415.14557	34.4
416.14746	2.2
440.77979	0.4
675.36310	3.1
676.36340	0.6
678.78339	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.2756
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	7.8
59.77583	0.3
61.98868	0.3
69.33117	3.3
70.37927	0.3
71.01379	4.4
73.02940	1.7
74.59913	0.3
76.67297	0.3
83.01411	0.7
85.02945	1.8
87.00871	0.6
89.02441	0.8
93.03444	0.5
95.05048	0.4
96.95970	0.5
97.02949	0.4
97.18466	0.3
98.19926	0.7
99.00894	0.6
99.04536	1.7
101.02455	4.2
105.03503	0.9
108.02187	0.9
113.02468	3.0
115.00359	0.4
121.02969	1.0
123.04550	0.7
125.02463	0.7
133.02979	1.3
137.02431	1.6
146.10008	0.3
147.04521	0.3
149.02464	1.6
149.06117	0.5
151.00482	0.4
151.04005	1.3
155.10796	0.5
161.02478	4.7
161.04555	3.8
162.03134	0.5
165.01939	10.2
166.02425	0.5
175.02487	0.7
175.04018	0.6
176.01164	11.8
176.04750	2.9
177.01939	100.0
178.02299	4.1
178.99890	0.4
179.03508	8.1
180.04294	6.1
181.04945	0.5
191.05617	0.4
191.07164	0.7
193.05058	6.6
194.05836	7.1
195.03006	0.5
195.06636	13.1
196.07124	0.4
203.05614	0.5
207.06633	0.9
209.08199	6.8
210.05347	1.5
221.06718	0.4
225.07649	3.4
227.12932	0.3
234.68336	0.4
235.06055	1.0
305.08701	1.8
321.06113	7.9
322.06573	0.7
323.09888	0.5
339.07199	56.1
340.07501	4.4
361.15033	0.6
381.08258	13.7
382.08606	1.3
397.11368	5.6
398.11719	0.6
421.11337	1.5
431.19305	0.4
449.20190	0.9
483.11371	10.1
484.11716	1.2
549.18231	5.0
550.18713	0.4
591.19305	10.7
592.19891	1.2
648.32227	0.3
715.19781	0.4
740.94794	0.4
840.72278	0.4
871.57642	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.3615
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	21.4
59.89701	0.9
61.98822	3.1
69.87376	5.2
70.46386	0.8
71.01384	23.6
72.99307	1.9
73.02944	4.4
81.03465	1.0
83.01380	2.7
85.02966	6.0
87.00873	6.2
89.02460	19.4
95.01434	1.5
96.96002	1.1
97.02942	1.2
98.19797	1.1
99.00844	1.3
101.02450	19.6
113.02457	11.4
116.92860	4.7
119.03522	5.4
125.02482	5.8
131.03535	2.4
143.03535	2.2
157.05415	1.0
158.05276	1.0
161.04604	5.2
169.00026	0.9
171.10254	1.1
179.05563	5.3
193.05087	1.1
200.37543	0.9
209.01892	0.9
221.06641	3.1
224.19438	0.9
235.08244	1.8
238.50949	0.9
249.18600	12.2
253.09377	4.7
263.07724	1.0
323.09769	2.3
364.69748	1.0
383.11624	1.1
397.13553	22.7
415.14474	9.7
437.77963	1.1
470.53867	1.1
485.15051	1.1
521.13654	1.0
559.18842	100.0
560.19098	12.4
577.19916	30.2
578.20184	2.8
608.51733	1.0
647.32739	2.3
809.38422	27.4
810.38477	6.8
845.36102	29.6
845.52386	1.4
846.36182	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	840.4789
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01361	0.1
61.48841	0.1
61.98829	100.0
62.98539	0.2
62.99253	0.1
64.00278	0.1
70.45341	0.2
94.02594	0.1
116.92873	0.1
229.02379	0.1
277.21741	0.2
278.22113	0.2
279.23138	0.2
281.17593	0.1
282.17905	0.1
389.53061	0.1
439.50098	0.1
524.23871	0.1
586.38916	0.1
701.96527	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	841.4114
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
60.01719	0.9
61.91624	0.9
61.98822	3.9
69.03449	3.3
71.01385	49.1
71.57824	1.7
72.99313	2.6
73.02950	13.3
77.27060	1.0
83.01396	7.9
84.59779	0.9
85.02954	26.1
86.00103	2.6
87.00875	5.5
89.02452	10.9
95.01414	5.9
97.02950	6.1
99.00877	5.7
101.02457	22.5
109.21686	0.8
111.00903	2.7
111.62845	0.9
112.01671	4.6
113.02461	29.5
115.04018	1.4
116.92871	4.8
119.03499	3.3
120.06426	0.9
124.01683	7.1
125.02467	17.3
132.47118	0.9
143.03531	8.1
151.67651	1.1
159.03033	1.4
161.04556	4.2
171.13919	2.0
177.62788	0.9
189.00417	1.7
191.05573	1.5
203.07141	2.0
299.25873	3.2
345.07910	1.0
345.30130	8.5
489.34384	11.0
490.34540	1.7
507.35287	7.5
508.35706	1.1
571.65607	1.1
573.35938	1.0
585.37347	1.2
597.36774	1.6
615.37970	3.4
620.28918	1.0
633.38617	58.1
634.39148	11.8
639.47009	1.0
651.39685	63.7
652.40118	12.7
669.40466	7.9
670.41333	2.0
693.40887	42.9
694.41205	10.8
711.41876	29.3
712.42004	5.6
753.42932	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	839.3958
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
60.01715	1.3
60.72855	0.7
61.08725	0.7
61.98831	2.0
62.45726	0.6
69.03454	4.0
71.01386	53.3
71.05021	1.8
71.47225	1.1
71.47572	0.7
72.99320	3.1
73.02953	14.2
75.00901	0.7
80.74647	0.6
81.03470	2.0
83.01393	11.9
85.02959	23.7
85.22874	0.7
86.00117	2.3
87.00877	6.4
89.02456	15.4
89.77022	0.6
94.38493	0.7
95.01392	7.8
97.02950	7.5
99.00892	4.9
99.04571	0.8
99.24210	0.6
101.02454	29.4
111.00886	3.3
112.01707	2.4
113.02461	30.2
114.02815	1.1
115.04046	1.2
119.03500	5.2
121.10284	1.2
124.01682	4.0
125.02459	17.2
129.01944	0.9
130.64146	0.8
139.04041	1.0
141.02002	1.2
143.03520	9.1
149.13329	1.2
157.12321	3.5
159.03033	1.5
161.04546	4.2
179.05716	0.9
185.15506	1.3
237.43997	0.7
238.85588	0.7
325.27457	1.6
343.28705	2.4
355.28757	0.8
415.73843	0.7
469.32159	1.1
487.32690	10.7
488.33203	1.6
505.33820	6.6
506.34091	1.6
529.34180	1.0
557.33759	0.8
595.35535	2.2
613.36285	2.2
631.37085	40.9
632.37579	7.6
649.38110	70.2
650.38434	12.7
667.39178	19.0
667.49963	1.2
668.39850	2.6
691.39258	29.0
692.39795	5.8
709.40308	39.8
710.40698	10.3
751.41321	7.2
752.41736	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	839.396
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	80.3
60.01689	0.9
61.98832	3.5
63.97755	0.6
67.01893	0.8
68.99842	0.9
69.03451	2.9
69.36885	5.7
69.37295	1.7
71.01383	50.0
71.05029	0.9
72.01721	1.0
72.99315	2.9
73.02946	11.4
75.00898	1.1
81.03454	1.2
81.80727	0.8
83.01390	8.3
85.02957	30.9
86.00101	3.8
87.00890	4.4
89.02457	8.1
95.01399	8.3
97.02953	4.8
98.19863	1.3
99.00884	6.4
101.01926	0.4
101.02453	23.0
111.00905	3.7
112.01697	4.0
113.02464	32.4
115.04026	1.0
119.03529	2.8
121.10217	1.4
124.01688	5.9
125.02473	10.4
127.00348	1.2
128.03607	0.9
129.01952	0.9
141.01950	1.1
142.02693	1.0
143.03520	6.4
148.22264	0.7
156.59537	0.7
157.12338	1.9
159.03044	1.5
161.04553	4.6
185.15521	2.2
189.00427	2.6
209.11812	1.3
229.14467	2.0
284.10760	0.7
313.27600	1.1
323.17767	0.7
325.27539	0.7
325.45334	0.7
343.28461	1.9
469.31949	1.0
482.49515	0.7
487.32733	8.6
488.32880	1.0
505.33649	5.0
510.25479	0.7
557.33527	1.1
583.34332	1.0
595.35309	1.4
601.35632	1.1
613.35553	0.9
614.36481	0.8
631.37091	100.0
632.37433	18.5
649.38129	62.7
650.38440	9.6
667.39203	6.1
668.39331	1.1
691.39258	29.3
692.39587	5.1
709.40411	15.1
710.40594	3.1
751.41724	3.2
752.42163	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	839.3914
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	2.3
62.86926	0.4
70.05659	2.2
72.19758	0.4
78.95886	0.5
96.96014	0.7
120.68417	0.4
197.15485	100.0
198.15846	5.5
218.00049	0.4
343.21408	0.4
362.20099	0.5
418.00784	0.5
438.13269	1.9
452.14828	0.9
453.15656	0.5
481.15207	16.5
482.15372	4.2
495.16721	6.0
496.17133	1.8
497.18484	3.5
498.18442	0.8
514.15082	1.4
525.14069	0.6
539.15503	1.1
540.16553	6.2
541.16919	1.4
554.18060	2.0
555.18921	31.5
556.19183	7.0
572.15564	10.2
573.15900	2.5
586.16888	2.9
587.17328	0.9
609.19904	1.0
627.21448	1.1
641.22650	21.5
642.22968	5.8
825.22546	0.5
839.39160	72.8
840.39313	24.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.5043
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	15.2
61.98830	17.9
69.03448	1.3
69.19692	0.9
71.01387	6.5
71.67773	1.3
73.02953	0.9
83.05036	1.4
85.02988	2.4
85.06609	0.9
87.00913	1.4
89.02476	4.2
95.05032	0.9
97.02967	6.6
97.06633	1.3
101.02460	3.5
109.06606	1.6
111.08187	2.1
113.02473	3.4
116.92895	1.0
119.03463	1.6
122.81353	1.0
125.09729	1.2
137.09735	2.5
148.09618	0.8
161.04587	2.3
165.12872	1.2
171.10271	4.8
175.11333	0.9
177.12943	1.1
179.05681	0.9
183.10260	1.9
195.13971	4.9
197.11865	5.3
211.13400	2.6
221.15535	1.9
223.13373	2.5
227.12784	1.6
233.15379	1.9
235.08255	6.3
247.20634	2.0
249.18587	100.0
250.18947	7.8
251.16409	1.0
253.09273	21.5
254.09697	1.1
263.16486	4.0
273.18518	2.2
277.21741	12.4
278.21973	2.1
291.19675	32.8
292.19949	3.5
309.20709	91.0
310.21048	7.5
342.85297	0.9
527.28809	1.3
541.38660	1.5
545.29510	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	837.5043
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01100	0.7
59.01378	10.0
61.98828	3.3
67.99329	0.4
69.03454	0.6
69.21845	0.5
71.01382	4.7
71.05011	1.4
72.99291	0.4
73.02953	1.5
83.01379	1.0
83.05017	1.1
85.02962	1.4
87.00889	1.8
87.04533	0.6
89.02441	2.6
95.05054	0.5
97.02946	0.6
97.06611	0.9
99.00925	0.5
101.02449	4.7
109.06612	1.3
111.04508	0.8
111.08173	2.4
113.02485	2.3
119.03511	1.3
123.60833	0.5
125.02437	0.5
127.07644	0.8
143.03506	0.7
145.05049	1.0
149.09767	0.9
151.00795	0.5
155.10762	0.6
161.04565	2.3
167.10796	7.1
169.12311	0.7
171.10310	0.9
179.05724	0.4
179.84920	0.5
183.85269	0.4
190.10939	0.5
193.12270	0.6
195.10345	0.9
197.11829	11.0
198.12120	0.4
199.13300	1.1
201.16579	0.6
207.13980	0.5
211.13429	1.9
219.17595	0.7
225.14960	1.8
235.08202	14.0
249.18585	22.9
250.18993	2.5
253.06621	1.0
253.09267	17.1
254.09570	1.1
263.16510	11.8
263.19998	1.0
264.16925	0.6
265.17999	1.0
273.18588	0.7
277.21716	100.0
278.22049	9.3
281.17572	46.3
282.17941	4.9
287.30780	0.4
291.19672	8.0
292.20050	0.6
293.21091	0.7
303.35065	0.4
309.20718	16.2
310.21152	1.8
341.23251	1.2
499.25323	1.2
511.22430	0.5
513.30804	1.9
517.26813	1.0
541.38940	0.7
545.30054	1.0
622.29327	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.3799
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00591	2.2
59.01378	100.0
59.03192	0.7
61.98829	5.4
69.03455	3.8
69.35301	3.0
69.35727	6.2
71.01385	52.9
71.50150	0.8
72.99307	3.9
73.02947	12.2
75.00883	1.0
80.96497	0.7
81.03477	1.7
83.01392	8.9
83.05019	1.2
85.02957	24.8
85.06622	1.0
86.00101	1.8
87.00880	5.9
88.98826	1.3
89.02456	16.7
94.38419	0.8
95.01405	6.0
96.96027	1.5
97.02946	5.7
97.06588	2.4
99.00894	5.0
99.04541	1.1
101.02451	25.8
102.02762	0.7
111.00902	2.2
112.01683	1.4
113.02460	30.7
116.92896	1.0
119.03542	4.8
121.63634	0.8
124.01678	2.4
125.02480	11.6
127.00382	1.6
131.03511	1.7
133.57025	0.9
141.01942	1.3
143.03525	5.2
159.02982	1.3
161.04556	5.7
177.14606	0.7
191.05519	1.0
209.11812	8.9
210.12218	3.7
211.12482	0.8
213.18648	1.6
227.12874	1.8
271.02090	0.9
281.24899	1.1
304.65228	0.8
305.24750	1.5
341.27051	2.1
397.13773	1.4
399.14160	1.0
449.29178	1.6
467.30054	3.2
485.31274	6.9
503.32095	5.6
504.32550	1.4
509.31226	1.1
527.31976	1.0
593.33746	1.8
611.33990	1.7
629.24927	1.5
629.35516	40.7
630.35986	6.0
647.36560	66.6
648.36932	10.3
665.37628	18.8
666.37872	2.8
689.37799	22.9
689.49451	0.6
690.38611	6.2
707.38721	34.3
708.38971	7.4
749.40021	6.6
750.41174	1.7
837.36932	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.4139
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	0.4
61.98826	1.2
69.77238	0.3
69.77652	0.4
71.01385	0.5
73.07816	0.1
78.95926	0.2
85.02955	0.1
87.00887	0.1
89.02456	0.6
101.02447	0.3
105.07078	0.2
107.05039	0.5
109.06614	0.9
113.02469	0.2
119.03534	0.3
127.00395	0.1
131.08684	0.2
134.07381	0.5
149.06142	0.3
149.19334	0.1
159.04552	0.1
161.04759	0.2
161.06091	1.2
162.06894	4.2
163.07356	0.2
173.02422	0.3
173.06065	0.1
173.13411	0.2
179.05670	0.3
185.02422	0.3
189.09233	0.2
191.03574	0.2
199.11253	0.2
200.04744	0.2
202.10078	0.1
205.05106	0.3
206.05849	2.7
217.05060	0.9
217.08871	1.0
217.12328	3.9
218.12648	0.3
220.03830	0.1
225.09229	0.3
238.04828	5.0
239.05196	0.3
243.10280	0.3
243.26309	0.1
246.09013	0.3
249.18579	1.5
261.11301	100.0
262.11633	7.3
323.09723	0.7
341.10962	0.8
434.84689	0.1
573.29211	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	836.5203
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
62.98528	0.2
62.99265	0.1
70.55176	0.3
82.90227	0.1
131.82889	0.1
161.87625	0.1
181.54573	0.1
278.22095	0.2
310.96704	0.1
406.15283	0.1
756.43353	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	827.3001
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00599	0.5
59.01378	100.0
59.34980	0.4
60.01722	0.9
61.98827	0.4
66.51741	0.4
69.03463	0.5
71.01383	24.6
71.42798	1.0
72.99308	0.8
73.02950	17.1
75.00894	0.6
80.72028	0.4
83.01387	4.6
83.05026	0.5
85.02956	5.5
87.00887	1.1
89.02451	4.1
90.11549	0.4
95.01398	1.3
95.05027	1.0
97.02968	4.0
99.00883	1.3
101.02453	14.7
101.03112	0.8
105.07097	0.7
107.05071	0.9
108.05821	1.3
109.02981	0.4
109.06596	1.5
111.04529	0.7
113.02464	9.5
113.06107	1.8
119.03516	1.1
122.03746	1.3
123.08172	2.4
124.05303	0.4
125.02437	0.9
125.06087	1.7
131.03474	0.8
131.16747	0.4
135.08194	0.7
136.05289	2.2
137.06140	1.0
138.06889	12.7
139.07686	5.7
143.03511	1.4
149.04575	1.3
149.06126	1.0
151.07655	12.6
152.04803	0.8
152.08444	21.3
153.09227	78.4
154.09563	3.7
159.02948	0.4
161.04568	6.4
161.09694	1.3
163.11331	1.3
165.09212	2.5
167.07152	1.4
179.05722	0.7
179.10818	1.1
187.11217	0.5
189.09128	0.9
190.09975	1.6
203.04050	0.4
203.05580	2.4
205.12335	30.3
206.12668	1.6
221.06631	1.4
222.51431	0.5
223.13390	29.1
224.13693	2.4
227.12981	0.7
234.02550	0.4
249.11073	1.3
262.26541	0.4
269.10229	1.1
309.13113	1.8
311.11365	0.8
314.60333	0.4
336.39526	0.4
347.12357	0.4
357.15326	0.5
367.17615	27.5
368.17917	2.5
385.18604	8.3
386.18896	1.0
427.19708	58.1
428.19977	7.4
471.18744	0.9
547.16833	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	827.4808
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01359	0.8
61.98824	0.7
64.64644	0.2
69.03462	0.4
71.01364	0.7
71.66792	0.4
73.02911	0.3
78.95920	0.4
81.03469	0.2
83.05026	0.5
84.02154	0.3
85.02959	2.3
95.05010	0.4
97.02989	0.3
97.06602	3.8
101.02480	0.3
104.27071	0.2
109.06563	0.2
109.49475	0.3
123.08141	0.3
125.09733	0.8
126.56521	0.3
127.00345	0.3
127.07679	0.3
127.11274	1.1
137.09676	0.2
155.10789	0.6
155.14384	0.3
165.12865	0.9
167.14407	0.8
171.10292	5.7
177.12848	0.7
181.12375	0.2
183.13914	3.1
185.11841	1.1
193.12354	1.0
197.11864	0.3
203.10783	0.5
209.11803	1.1
211.13399	19.2
212.13745	1.3
221.11806	3.2
227.12923	0.3
229.14427	13.7
230.14752	0.6
239.12875	2.1
273.18423	0.4
291.19662	2.6
292.20160	0.3
309.20636	0.6
327.21756	100.0
328.22083	8.9
397.79544	0.2
656.93201	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.508
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	0.6
59.01374	8.0
60.21651	0.4
61.98830	25.0
62.46193	0.4
70.22527	2.1
71.01389	3.4
73.02949	0.7
85.02965	0.7
87.00887	0.6
89.02467	1.7
97.02979	0.5
97.06566	0.6
101.02467	3.2
113.02498	1.3
121.10265	0.9
125.06068	2.1
143.07161	7.2
145.05089	0.6
149.13245	0.6
152.99525	0.7
161.04526	1.3
167.10796	4.5
195.10265	1.1
203.18130	0.9
205.19780	0.5
235.08235	7.7
247.17029	9.0
248.17349	0.7
253.09282	12.1
254.09549	0.6
265.18063	32.4
266.18405	2.9
277.21716	100.0
278.22037	10.3
483.25781	1.1
501.26755	0.6
513.30798	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	824.4824
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
62.98549	0.1
71.40883	0.1
81.01872	0.1
98.19947	0.2
193.90863	0.1
242.87045	0.1
249.18721	0.1
250.18900	0.1
275.20053	0.1
278.21103	0.1
294.21945	0.1
660.86578	0.1
660.99915	0.1
698.17816	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	824.4823
Annotation	Unknow
Peak:m/z	Relative Intensity
58.32280	0.1
61.98830	100.0
62.98537	0.2
62.99278	0.1
76.19760	0.1
91.22763	0.1
98.19766	0.1
150.79305	0.1
206.05780	0.1
249.18719	0.1
293.21283	0.1
294.21802	0.1
295.21866	0.1
655.91467	0.1
813.86798	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	824.4822
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
70.39060	0.4
70.39453	0.2
80.96509	0.1
193.28781	0.1
310.23608	0.1
348.18231	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	824.4824
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	100.0
62.98534	0.1
70.29163	0.2
84.94501	0.0
91.05405	0.1
106.91976	0.1
134.57616	0.0
139.59926	0.1
227.44200	0.1
233.84184	0.0
238.87936	0.1
277.21884	0.1
278.22165	0.2
279.22287	0.1
311.15375	0.1
430.48599	0.1
517.05914	0.1
756.54749	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	826.4249
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00581	0.2
59.01377	5.0
61.98829	100.0
64.85380	0.2
67.01879	0.5
68.68069	0.2
68.99819	0.5
69.49853	0.9
69.50277	0.7
71.01384	5.9
72.99315	1.6
73.02946	0.6
75.00872	2.1
81.34064	0.2
83.01395	2.0
83.41237	0.2
85.02951	5.2
87.00887	0.6
87.83800	0.2
89.02444	3.6
94.66470	0.2
95.01395	2.9
97.02937	0.4
98.19867	0.4
99.00891	2.9
101.02468	0.8
102.05621	2.6
111.00899	3.3
113.02471	4.3
116.75999	0.2
116.95574	0.2
121.23112	0.2
124.63062	0.2
129.01964	0.6
131.03554	0.4
139.00378	1.9
149.04613	0.2
157.01462	0.7
261.11368	0.2
308.84766	0.2
437.34222	0.4
453.33618	0.9
455.35202	2.7
455.40985	0.3
456.35599	0.4
483.34662	1.5
511.33801	0.5
523.38171	0.3
537.35797	0.8
551.37524	1.8
569.38434	1.3
631.38531	0.5
763.42999	75.2
764.43317	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	821.5081
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	1.2
59.01377	18.0
61.98830	8.0
69.65769	7.1
71.01378	4.3
73.02941	1.4
85.03000	0.9
87.00865	0.8
89.02458	3.9
98.20013	1.4
100.45153	0.9
101.02435	5.1
113.02469	2.4
119.40697	0.8
131.03558	0.9
161.04605	2.0
171.10222	1.9
183.10242	1.7
195.13913	7.0
223.13425	4.0
231.21152	0.9
235.08276	5.2
235.17036	2.9
247.16963	2.4
249.18590	100.0
250.18948	7.9
253.09290	23.9
254.09625	1.2
256.13193	1.6
265.18097	8.6
275.17316	1.6
275.20148	18.8
276.20441	2.1
277.18890	1.7
277.21747	24.5
278.21936	2.4
293.21222	98.1
294.21521	8.1
525.39624	1.6
529.30017	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	819.3213
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	0.5
59.01107	0.3
59.01377	4.7
61.98837	0.3
69.46152	0.3
69.46481	2.3
71.01385	1.5
73.02951	3.1
82.08782	0.2
82.46741	0.2
83.01398	2.3
84.04544	0.8
85.02963	0.6
86.02488	0.3
89.02460	0.7
94.06626	0.4
95.03780	1.1
96.08170	0.5
96.95995	0.5
97.01685	0.3
99.00884	2.5
101.02428	0.7
104.05059	0.4
106.06622	2.2
112.04046	0.7
113.02440	0.5
120.99657	0.6
121.03000	0.3
122.06162	1.8
123.03349	0.3
123.75230	0.2
124.07708	2.8
127.00383	4.9
132.04565	24.7
133.05377	8.6
134.06158	3.5
137.04846	0.3
138.05612	0.6
142.99895	0.4
148.04082	1.1
150.05623	1.0
165.04318	19.1
166.04689	0.8
176.03551	0.8
176.07217	0.5
177.04329	2.4
178.05125	0.8
183.07065	0.2
186.09239	1.8
187.05107	0.3
189.00406	9.0
190.00749	0.4
191.05620	0.4
198.09180	0.3
209.03299	4.5
213.06671	1.4
214.12373	3.4
215.11877	4.6
216.12195	0.4
226.07401	0.3
227.08109	0.3
228.08937	0.3
229.09790	2.0
239.11902	0.3
240.10287	0.6
241.09763	2.1
255.11374	0.6
257.12924	15.6
258.13174	1.2
277.90958	0.3
283.10889	5.3
284.11194	0.4
297.10547	0.3
301.11923	8.5
302.12122	0.7
327.09735	0.4
345.10895	100.0
346.11237	9.6
346.15576	0.4
369.19229	0.9
387.20279	0.5
429.21246	2.1
505.27032	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	810.5033
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
62.98536	0.2
70.75581	0.3
97.77814	0.1
98.20016	0.1
132.38129	0.1
137.44603	0.1
175.66815	0.1
398.89120	0.1
490.06387	0.1
540.54993	0.1
622.22144	0.1
665.37158	0.1
735.69397	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	813.4587
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98825	60.5
63.49659	18.8
63.52000	17.8
66.15993	18.3
71.67834	26.2
78.95915	34.1
80.96510	31.2
106.06539	20.0
203.59721	21.9
223.03940	23.7
249.18553	21.7
253.09117	25.4
277.21796	100.0
281.17563	50.3
283.26538	29.0
309.20425	25.3
626.55652	24.5
813.44641	75.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	815.501
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	0.6
59.01379	2.8
62.41167	0.3
63.96233	1.9
68.87587	0.3
68.99554	0.4
69.03454	0.9
71.01383	10.5
71.35880	0.5
72.99356	0.3
73.02948	2.6
74.31033	0.3
78.95901	0.7
78.98598	9.6
79.95362	0.2
79.95741	17.0
80.96522	100.0
81.03455	1.2
81.96460	0.3
83.01381	0.3
85.02950	3.9
87.00883	3.3
94.98097	23.1
96.96021	1.9
97.02958	2.3
99.00898	1.2
101.02451	3.1
106.98099	4.2
112.98583	0.4
113.02472	0.6
122.97599	4.9
125.02441	3.3
127.04041	0.9
134.97603	6.9
136.99156	2.0
138.97241	0.3
141.01727	0.5
143.03481	0.3
146.97583	0.4
148.04991	0.2
148.99159	8.7
149.99388	0.2
152.98659	8.4
161.04651	0.3
164.98650	15.2
165.99001	0.5
167.00276	0.7
171.90700	0.3
172.58549	0.3
177.19569	0.3
179.00179	0.4
182.29890	0.3
182.99731	0.3
188.98642	0.5
206.99678	2.8
225.00745	21.8
226.01035	1.0
230.97993	0.4
232.97569	0.9
255.23280	2.4
277.21738	1.7
278.18887	0.3
278.92615	0.4
279.23349	0.4
283.04871	0.3
314.98505	0.3
320.91718	0.4
322.91599	0.6
476.86942	0.8
478.86325	0.6
537.27301	2.7
538.28052	0.3
559.25928	1.4
563.03467	0.3
815.50043	93.6
816.50330	26.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.383
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	1.5
58.00593	2.4
59.01378	49.6
60.01712	0.5
61.98835	2.3
68.99839	0.7
69.03461	2.5
69.98376	0.9
69.98804	0.8
71.01384	51.4
72.01714	0.8
72.99316	4.1
73.02947	10.7
75.00874	0.8
81.03457	1.7
83.01391	7.7
83.05038	0.4
85.02955	12.7
86.00102	1.0
86.03303	0.5
86.48461	0.3
87.00880	15.3
87.04491	0.3
89.02451	40.8
90.02790	0.3
91.04014	0.5
95.01401	3.7
97.02959	5.1
99.00897	2.4
99.04527	0.6
101.02454	41.3
102.02790	0.8
103.04050	0.6
109.02953	0.5
111.00894	1.4
111.04546	0.7
113.02460	25.8
114.02798	0.9
115.04037	0.9
116.92865	3.3
119.03515	9.6
121.03017	0.4
124.01677	0.3
125.02465	14.2
126.02821	0.6
127.04006	0.5
129.01962	0.4
131.03516	6.3
133.05093	1.1
135.04599	0.3
139.04013	0.4
141.01967	0.7
143.03520	6.4
145.05061	1.1
149.04588	1.1
161.04575	14.1
162.04909	0.5
167.03490	0.7
169.05104	0.5
173.04561	0.3
179.03447	0.5
179.05620	12.4
189.00267	0.2
199.06163	0.3
203.05547	1.6
205.19640	0.6
209.04616	0.3
217.07190	0.4
221.06624	6.2
235.08212	5.9
245.06665	0.9
247.16959	0.4
249.18578	26.7
250.18840	2.0
250.90317	0.3
253.09264	9.6
254.09547	0.4
260.91708	0.3
263.07678	2.0
263.20236	0.3
264.25037	0.3
272.01050	0.3
277.09253	0.4
287.07706	1.0
291.19763	0.4
295.10242	0.3
305.08795	2.2
318.35721	0.3
323.09833	4.5
365.11017	0.4
379.12436	1.6
383.11972	1.5
397.13510	42.2
398.13797	3.5
415.14575	17.8
416.14926	1.8
425.13055	0.5
439.14499	1.2
449.12863	0.7
457.15860	0.3
467.13788	0.5
485.15063	1.8
522.59137	0.3
523.16602	0.4
541.17407	0.7
559.18823	100.0
560.19202	13.3
560.28009	0.6
577.19867	34.9
578.20343	4.3
595.25360	0.3
647.32593	1.5
648.33661	0.4
809.38306	5.1
810.38300	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	808.4876
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
62.98542	0.1
62.99248	0.1
71.38359	0.0
75.35802	0.0
78.63631	0.0
98.19828	0.1
136.38144	0.0
188.13783	0.0
229.98282	0.1
327.07462	0.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	808.5156
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	1.1
61.28429	0.3
61.98831	4.8
71.01404	0.5
71.02880	0.5
71.03206	0.2
73.02950	0.3
78.95906	5.3
78.96334	0.4
80.02676	0.4
80.96518	2.5
83.05045	0.3
89.90823	0.2
96.96037	0.4
96.96935	0.3
97.06602	0.5
97.37709	0.2
119.05005	0.3
125.06088	0.5
126.62284	0.3
127.07663	0.3
127.11347	0.3
148.09004	0.5
150.10503	1.0
151.11282	0.6
152.99577	1.3
163.11275	0.9
165.12862	21.4
166.13194	1.1
168.04333	1.0
171.10304	0.3
175.11356	0.5
176.12030	0.7
177.12877	0.6
189.12744	0.3
191.14375	0.5
203.64438	0.3
217.16031	0.6
224.06909	0.6
233.22682	0.3
236.61021	0.3
242.07977	2.0
247.20667	11.6
248.21022	1.2
253.09286	0.6
254.10249	0.3
255.17593	0.3
273.18582	6.0
273.21643	0.3
273.25211	0.3
274.18750	0.3
275.19971	0.3
277.21719	60.7
278.22083	6.6
281.17679	0.4
289.17963	0.3
291.19641	100.0
292.19977	9.7
309.20731	0.7
368.47241	0.3
502.29364	38.5
503.29684	5.4
749.44501	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.5078
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	0.7
59.01370	1.0
67.01884	0.1
69.03458	0.2
71.01391	0.1
71.05021	0.3
73.02959	0.1
74.02483	0.3
80.02696	0.2
81.03490	0.1
83.05044	0.4
84.02148	0.2
89.02474	0.1
95.05032	0.1
96.59768	0.1
97.02973	0.5
97.06573	0.7
99.08155	0.6
102.05630	0.3
109.06619	0.2
111.08168	0.3
113.09740	2.8
121.10226	0.9
125.09745	0.9
127.11300	0.9
137.09782	0.5
139.11305	11.3
140.11633	0.5
141.12866	0.2
142.43166	0.1
148.31972	0.1
149.09761	0.1
151.11378	0.2
153.09186	0.5
153.12863	0.3
155.10800	1.0
163.11295	0.7
165.12857	0.4
167.10762	0.9
167.14374	0.3
168.11578	0.3
171.10281	16.4
172.10588	0.8
177.12852	0.4
179.10806	0.5
179.14368	0.2
180.01266	0.1
181.08714	0.4
181.12271	0.2
182.13042	0.2
183.10248	0.2
183.13898	0.4
185.11815	1.2
193.12318	0.6
195.13820	0.5
197.11833	0.3
201.11342	0.5
209.11852	0.2
211.13414	2.3
230.10898	0.1
247.20711	0.2
249.18617	1.2
249.22185	1.4
250.18834	0.1
253.09293	0.2
265.21802	0.3
275.20087	0.8
276.20688	0.1
277.21698	0.5
291.19604	0.4
292.19946	0.4
293.21213	23.4
294.21588	2.3
309.20761	1.5
310.20953	1.5
311.22260	100.0
312.22601	8.9
596.41620	0.1
668.20990	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	790.4253
Annotation	Unknow
Peak:m/z	Relative Intensity
58.78154	0.1
59.01378	0.3
61.98829	100.0
62.98532	0.1
70.56807	0.2
70.57211	0.4
71.01424	0.1
83.05077	0.1
97.49242	0.1
110.25128	0.1
133.31476	0.1
152.99599	0.1
181.08763	0.3
182.09067	0.2
277.21640	0.5
278.22137	0.3
279.22424	0.1
280.22815	0.1
280.34726	0.1
293.21362	0.1
447.13757	0.1
562.45148	0.1
633.16962	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	793.299
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.2
61.98832	0.7
68.30474	0.1
71.01369	0.3
71.02937	0.2
73.02950	6.2
74.02451	0.1
74.03262	0.1
75.00864	0.2
77.64342	0.1
89.02414	0.1
99.00885	1.0
99.92594	9.9
100.92611	0.5
100.93205	0.1
114.93456	0.4
115.00424	0.4
116.03571	0.1
116.07297	0.1
116.92875	100.0
116.97192	0.8
117.01947	10.9
117.05565	0.2
117.92880	5.7
118.02298	0.2
167.91931	0.1
204.88142	0.1
241.61522	0.1
277.21759	0.1
286.37164	0.1
335.17715	0.1
342.75668	0.1
397.13446	0.2
411.41486	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	793.2978
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	0.1
61.98832	2.8
68.54909	0.1
70.87865	0.1
71.01373	0.3
73.02948	5.5
74.03253	0.1
75.00864	0.2
80.96490	0.1
87.00896	0.1
89.02464	0.1
97.93158	0.1
99.00903	0.9
99.92593	9.1
100.92616	0.4
100.93205	0.1
114.93434	0.5
115.00410	0.4
116.03611	0.1
116.92875	100.0
116.97201	1.0
117.01947	10.0
117.05610	0.1
117.92883	5.4
118.02291	0.2
122.11199	0.1
131.91592	0.1
212.84631	0.1
231.96031	0.1
237.21193	0.1
239.56284	0.1
294.65369	0.1
335.17603	0.1
370.49292	0.1
397.13455	0.1
415.14932	0.1
532.67157	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	793.5456
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
62.98511	0.1
71.16876	0.3
72.43558	0.1
172.19260	0.1
253.00085	0.1
258.83185	0.1
288.10410	0.1
294.52539	0.1
458.89703	0.1
485.02841	0.1
730.56006	0.1
793.52545	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	793.5459
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	0.1
61.98831	100.0
62.98532	0.2
62.99237	0.1
71.11741	0.2
71.12111	0.1
77.32967	0.1
106.08213	0.1
119.78847	0.1
119.95789	0.1
124.70050	0.1
326.26755	0.1
514.59253	0.1
551.61719	0.1
730.55981	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.1794
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	1.4
61.98787	0.5
62.96394	0.4
69.75121	2.8
71.01373	1.0
73.02972	0.7
78.95907	79.6
93.03472	0.5
94.85027	0.3
96.96967	100.0
118.98059	0.4
138.98035	4.0
167.03519	1.1
173.04584	0.4
175.87563	0.4
177.01956	2.5
184.08824	0.8
188.51976	0.4
191.05627	1.8
198.06679	1.4
199.00157	7.7
212.08315	4.2
213.01689	7.9
213.08740	0.6
241.07281	4.2
255.08806	6.8
255.11209	0.6
256.09116	0.8
337.09317	0.4
339.07184	1.1
455.09705	78.3
456.10046	8.4
492.42645	0.4
568.01086	0.4
665.27252	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.4511
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.5
59.01379	12.7
61.98832	1.2
71.01389	3.0
71.42832	0.4
72.99310	0.4
73.02947	0.7
78.95933	0.6
80.02692	0.4
80.96516	0.3
81.03458	1.2
83.01402	1.5
83.05033	10.4
84.02161	0.4
84.05372	0.2
85.02953	1.0
87.00883	0.5
88.98843	0.4
89.02451	2.1
89.82358	0.2
95.01369	0.3
97.06597	0.9
101.02449	3.3
102.19931	0.3
104.14363	0.2
108.18515	0.2
109.06597	2.2
113.02467	1.4
119.03525	0.6
133.06635	0.3
135.08179	3.2
137.09743	1.3
145.04979	0.5
153.08215	0.2
153.09537	0.3
157.04974	0.3
161.04575	1.5
163.07658	1.2
179.05573	0.5
181.08714	64.8
182.09047	3.7
195.58597	0.3
199.09776	5.7
233.22707	0.4
235.08211	5.3
253.09271	10.4
254.09470	0.5
259.20819	0.3
260.20856	0.3
277.21713	100.0
278.22070	9.5
330.69431	0.2
417.17661	0.8
513.30609	2.0
514.31665	0.3
623.85022	0.3
664.22473	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.238
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	0.4
61.98829	100.0
62.98534	0.2
63.59058	0.1
64.91953	0.1
71.27870	0.2
72.99332	0.1
78.95927	0.2
88.83619	0.1
119.89109	0.1
134.03731	0.6
149.06145	0.2
160.01659	0.1
175.04030	0.2
178.02713	0.2
193.05058	1.1
253.09355	0.1
560.18213	0.1
687.19965	0.1
727.24011	0.7
728.24506	0.2
776.54498	0.1
808.82495	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	787.4507
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	5.8
60.99282	0.4
61.02952	0.6
61.98832	1.6
68.99803	0.4
71.01389	2.7
71.54474	0.6
72.99312	0.9
73.36941	0.4
75.00865	0.5
80.02681	1.1
81.03464	1.0
83.01398	0.5
83.05039	3.5
84.02189	0.7
85.02961	0.4
86.22755	0.3
87.00862	0.4
88.98828	0.4
89.02467	1.5
93.03529	0.3
95.05034	0.4
100.63480	0.3
101.02485	1.9
105.01903	0.5
110.48903	0.4
113.02451	1.4
115.00362	0.6
119.03500	0.6
132.94685	0.4
133.01442	2.5
133.05096	1.3
135.08206	0.5
161.04590	0.9
163.11308	2.6
165.12886	1.7
172.00159	3.4
179.05640	0.7
191.10765	0.9
205.19640	0.4
209.11830	100.0
210.12167	6.0
218.81252	0.4
227.12885	11.5
228.13216	0.7
235.08192	1.8
249.18581	46.9
250.18965	3.8
253.09282	6.8
277.21747	0.4
388.81952	0.3
445.20764	3.8
463.21967	0.5
485.27658	0.8
544.37830	0.4
665.57666	0.4
695.40100	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.5444
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	0.5
59.01381	0.9
61.98826	0.3
69.03458	0.4
69.50851	0.3
69.51265	0.6
71.01395	0.4
78.95896	0.1
83.01370	0.1
83.05031	0.3
85.06549	0.1
88.98839	0.2
89.02444	0.3
97.06616	0.2
99.08180	0.3
101.02457	0.3
119.03482	0.1
121.10202	0.2
123.08162	0.1
125.09715	0.7
127.11313	0.3
141.12868	0.5
151.11287	0.2
153.09315	0.1
161.04604	0.1
171.10278	23.1
172.10628	1.2
181.08698	0.2
185.11797	0.2
221.05035	0.1
233.22743	0.2
235.08171	0.4
251.23854	0.2
251.45738	0.1
253.09290	1.4
253.21706	10.8
254.09712	0.1
254.22015	1.0
259.20724	0.3
275.20090	0.3
277.21704	28.3
278.22055	2.7
293.21417	0.2
295.22766	100.0
296.23108	9.5
399.12076	0.1
762.01855	0.1
803.01794	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	787.2691
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	0.6
71.01385	0.6
71.42307	0.2
73.02956	0.3
73.93271	0.1
78.95921	0.2
83.01360	0.2
85.02951	0.4
89.02455	0.2
93.03450	0.8
99.00846	0.2
101.02448	0.5
104.79277	0.1
107.11430	0.1
109.02978	0.4
113.02444	0.3
113.89568	0.1
119.03513	0.1
121.02966	3.1
123.04530	0.2
133.06636	0.2
134.03801	0.3
135.04536	2.7
137.02448	0.9
139.00301	0.1
139.82909	0.1
147.04494	0.1
149.02454	26.6
150.02783	1.1
151.03983	0.8
152.01166	5.7
152.02408	0.3
153.01593	0.3
161.04555	0.3
163.04024	4.4
164.04802	24.1
165.01936	1.3
165.05095	1.2
167.03528	1.0
169.05081	2.7
177.05573	0.2
179.07141	10.1
180.04288	0.3
180.07510	0.5
189.00406	0.2
193.01421	12.7
194.01697	0.6
205.05038	0.2
206.08318	0.1
207.03064	0.3
208.03766	37.7
209.04111	2.2
223.06108	100.0
224.06445	6.3
233.04425	0.2
244.22278	0.1
248.61192	0.1
265.07120	0.4
267.07126	0.3
269.10199	0.3
340.47391	0.1
367.10046	0.1
385.11398	28.7
386.11697	3.1
401.14511	1.3
402.15073	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.327
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	3.2
57.03447	3.9
58.00594	4.1
59.01380	79.6
60.01718	0.9
61.98830	6.4
67.01898	0.7
69.03455	7.4
71.01387	100.0
71.07767	0.9
71.08102	1.0
72.01735	1.1
72.99314	7.0
73.02953	22.4
74.03298	0.6
75.00871	1.7
78.95978	0.7
80.96525	0.7
81.03474	3.7
83.01392	12.4
85.02958	33.9
86.00126	0.9
87.00886	11.4
87.04527	41.0
88.04852	0.7
89.02453	54.2
90.02789	1.1
93.03468	1.1
95.01402	7.9
96.96020	1.9
97.02357	1.0
97.02962	13.8
99.00892	10.1
99.04512	1.3
101.02457	66.0
102.02779	1.6
109.02947	1.7
111.00907	9.0
112.01679	1.2
113.02468	37.6
114.02791	1.2
115.04032	1.0
116.92870	0.8
119.02688	1.1
119.03522	21.6
121.02964	0.9
121.63373	0.5
123.00871	0.9
125.02459	27.7
127.00410	0.9
127.04028	1.1
131.03525	6.5
135.04494	0.9
137.02414	2.5
139.04010	1.4
141.01913	2.1
142.02539	0.5
143.02454	0.9
143.03520	13.9
145.05038	1.7
145.12306	1.3
149.02455	1.0
149.04498	1.9
150.03198	1.4
151.03966	1.2
155.03462	2.7
157.05058	0.7
158.02209	0.8
159.02893	2.1
161.04590	18.9
165.05496	2.4
167.03421	1.1
173.04552	0.8
179.04185	0.9
179.05632	16.3
185.04565	1.1
189.00290	0.9
191.05547	2.4
195.06590	1.4
203.05501	2.6
221.06691	12.4
233.06573	1.9
245.06671	6.2
263.05453	0.8
263.07712	8.0
305.08798	5.1
311.18579	1.4
323.09845	21.0
324.09903	2.0
341.19696	0.6
349.31830	0.7
399.95499	0.6
413.17993	0.9
419.22476	1.8
447.21951	1.3
521.26062	7.4
522.25800	1.1
531.54169	0.7
539.26843	4.8
581.27527	2.6
595.25317	2.5
613.26282	1.1
655.26526	0.7
683.31525	69.7
683.48651	1.8
684.31750	15.0
701.32544	66.8
702.33026	12.7
743.33569	11.0
744.33380	3.3
787.31921	1.4
788.31244	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.2536
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	0.9
57.03435	1.8
59.01382	30.4
67.01867	0.9
71.01009	1.8
71.01389	31.5
71.69382	1.3
72.61065	0.9
73.02946	7.2
78.95903	4.9
83.01397	5.8
85.02957	12.7
87.00867	3.0
89.02445	11.0
93.03481	6.4
95.01408	1.7
96.95993	1.3
96.96968	4.3
99.00899	2.1
100.13525	1.0
101.02454	21.3
111.04509	1.4
113.02475	17.0
119.03508	2.5
121.02957	5.5
122.03773	7.6
125.02451	3.9
131.03506	1.9
132.02190	2.4
133.03047	1.3
134.03711	2.1
135.04533	2.3
136.01671	4.2
137.02458	2.0
143.03510	2.9
145.02998	2.8
146.03760	45.2
147.04630	5.0
149.01302	1.5
149.02469	24.6
149.06119	1.3
150.03249	69.0
151.04021	5.1
158.92612	1.1
161.04565	10.6
161.06078	12.0
162.03247	4.7
163.03983	2.2
164.04814	33.9
165.05591	100.0
166.05971	5.8
177.05594	6.6
179.05742	2.4
179.07152	47.4
180.04283	3.5
180.07465	2.5
189.00435	3.1
191.03960	1.4
191.05647	15.5
192.06030	1.2
193.05067	8.8
195.06639	27.2
221.06615	2.9
229.57288	1.0
305.08600	1.2
312.10001	6.6
318.59830	1.0
323.09872	1.3
327.12451	16.8
355.10300	4.1
367.10419	2.6
369.12143	3.1
375.14526	14.7
376.15036	1.7
429.14145	6.6
453.71689	1.1
501.16162	6.2
519.17163	38.5
520.17627	4.3
531.17004	1.3
561.18286	74.7
562.18762	12.3
609.67017	1.0
699.24829	7.1
700.25659	1.7
741.26141	3.8
742.27271	1.6
784.68378	1.2
785.16254	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	784.1524
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	0.4
59.01384	1.8
62.96403	0.7
70.55943	0.2
71.01392	1.4
71.56658	0.4
73.02940	0.5
73.44993	0.2
78.95909	100.0
80.96511	2.2
83.01382	0.4
84.15235	0.2
85.02962	0.8
89.02467	0.4
93.03482	0.5
94.98091	0.4
96.96970	67.2
99.00874	0.3
101.02451	0.8
107.03629	0.4
111.00916	0.3
119.05055	1.9
121.02945	0.7
125.02518	0.3
125.67799	0.2
127.00376	0.5
134.04739	6.1
134.05754	0.5
135.04510	0.6
138.98035	0.8
146.03740	0.7
149.02449	0.4
150.03212	1.1
150.98018	1.4
158.92557	9.0
161.05992	0.3
162.98021	3.3
163.04041	1.3
164.04599	0.7
164.98665	0.3
165.05510	1.4
167.03539	0.7
169.07722	0.2
174.98088	0.5
176.93626	0.9
176.99542	0.3
179.07152	1.4
180.99086	9.1
181.99306	0.5
189.00404	1.3
191.05614	4.3
191.07170	0.2
192.06035	0.4
195.00633	2.8
195.06641	0.4
198.06767	0.9
211.00128	1.2
212.08315	1.5
212.10007	0.2
225.00746	0.7
241.07315	3.7
244.49879	0.2
255.08844	3.3
256.08850	0.2
260.95880	0.3
272.95709	2.4
299.04385	0.6
325.09659	0.3
346.05576	23.0
347.05960	1.5
362.84171	0.2
396.40640	0.2
397.75699	0.2
408.01227	1.9
421.08130	4.4
422.08289	1.0
426.97928	0.3
437.08667	33.4
438.08969	3.7
438.89374	0.3
455.09924	0.5
517.05249	1.4
519.16858	0.4
543.16797	0.3
545.22363	0.2
561.18365	1.2
630.11536	0.3
783.65753	0.3
784.15240	11.7
784.67548	0.3
785.15387	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	780.457
Annotation	Unknow
Peak:m/z	Relative Intensity
54.62976	0.2
56.16126	0.1
58.58365	0.2
61.98831	100.0
62.98537	0.3
69.43088	0.1
70.87036	0.3
80.96540	0.4
84.16453	0.2
103.35194	0.1
122.00994	0.1
129.63519	0.1
138.48763	0.1
176.67206	0.1
409.75217	0.2
510.04306	0.1
519.63684	0.1
598.57269	0.2
656.84479	0.2
781.46112	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.186
Annotation	Unknow
Peak:m/z	Relative Intensity
57.81674	0.1
59.01380	5.5
61.42213	0.2
64.18524	0.1
65.00344	0.2
71.01385	0.6
71.69460	0.2
73.02952	0.3
75.38982	0.1
83.01389	0.3
85.02957	0.2
87.00890	0.3
89.02489	0.2
93.03470	1.0
99.00932	0.2
101.02462	0.3
105.03450	0.9
108.02196	1.4
109.41956	0.1
120.02206	0.3
121.02973	1.1
123.04536	1.6
127.00391	0.3
129.01982	0.2
132.02202	0.4
133.02983	2.0
134.03810	0.2
148.01720	0.9
149.02473	2.1
149.06070	0.2
150.02742	0.2
151.04070	0.2
161.02437	0.2
161.04619	0.2
165.05579	2.8
175.04042	0.2
176.01166	10.7
177.01949	100.0
178.02278	5.1
179.07227	0.2
189.00455	0.3
191.05618	2.1
193.05067	3.4
199.48749	0.2
203.03476	0.2
219.02988	0.2
219.06641	0.7
235.11813	0.2
291.08759	0.3
321.06226	2.4
322.06592	0.2
339.07211	9.3
340.07480	1.1
355.10324	2.2
367.10330	0.5
372.64780	0.2
381.08286	44.5
382.08664	4.9
395.09641	0.2
459.15121	1.3
571.52905	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.2741
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.8
55.83400	0.4
57.03447	2.6
58.00584	0.8
59.01378	21.4
59.75698	0.4
61.98839	0.9
63.42886	0.4
67.58780	0.4
68.76048	0.4
69.03461	0.5
69.82141	0.4
70.00831	2.4
71.01384	25.2
72.01749	0.6
72.92785	0.3
72.99330	1.1
73.02947	6.0
75.00896	0.7
78.95908	3.4
80.75449	0.4
81.03488	0.4
83.01382	4.2
84.02177	1.1
85.02950	8.9
87.00887	3.3
89.02451	5.8
93.55195	0.4
95.01407	2.2
96.96055	0.5
96.96976	2.0
97.02956	2.0
98.20557	0.6
99.00902	2.7
99.04510	0.9
101.02457	18.4
102.02802	0.5
107.05044	1.1
109.02975	2.0
111.00892	0.8
113.02462	13.9
119.03503	2.2
121.02950	0.8
123.00906	2.5
124.01682	1.5
125.02465	5.5
127.00386	1.8
131.03532	1.6
133.02919	0.4
137.02463	10.6
138.03242	1.6
139.00406	1.3
139.04065	1.9
139.24141	0.5
143.03523	2.3
147.04498	0.7
149.02464	1.5
149.04971	0.5
149.06067	3.1
150.03206	0.6
151.00383	24.9
151.04008	1.2
152.01135	2.4
152.04803	2.4
153.02014	0.7
153.05594	0.7
159.02998	1.0
159.04509	0.6
161.02470	0.7
161.04549	5.9
162.03232	0.4
163.04002	1.6
164.04903	1.1
165.01965	1.1
166.02727	79.4
167.03342	5.3
173.02472	1.0
175.04001	2.7
177.01964	3.4
177.05582	1.3
178.02681	0.5
179.03497	0.6
179.05632	1.4
179.07132	0.6
181.05078	94.6
182.05397	4.2
184.03687	0.9
185.04501	1.0
187.03990	0.7
188.04842	0.4
189.00424	3.4
189.05588	1.5
190.02763	1.0
190.06461	2.0
191.03511	5.7
192.04234	1.6
193.05063	45.2
194.05452	2.5
195.02969	0.5
202.02679	0.7
203.03502	1.3
203.05573	1.0
205.05086	5.1
205.08708	1.6
206.05800	4.0
207.06708	1.9
209.04552	0.6
217.05016	0.8
218.05830	0.7
219.06557	1.9
220.07402	1.7
221.04495	1.0
221.06613	3.7
221.08536	4.4
233.08182	1.7
235.06137	1.1
259.10037	0.5
283.05988	0.4
305.08679	0.9
309.07568	0.5
311.05750	0.7
323.09747	1.8
324.10034	0.6
329.10257	0.8
337.07135	0.6
339.08652	1.0
339.12234	0.6
341.10739	2.1
346.05618	0.9
353.10416	0.5
354.11237	0.6
355.11893	0.5
357.09576	0.5
357.13522	0.6
358.09772	0.5
359.11374	2.5
360.11624	0.6
369.09918	2.1
372.12006	1.7
373.12820	0.6
384.11942	2.1
387.10733	14.2
387.14685	6.9
388.10797	2.3
388.15439	0.9
398.13464	0.4
399.14487	10.9
400.14865	1.6
402.13150	13.2
403.13647	1.7
413.14270	0.7
417.15524	100.0
418.15869	11.9
437.08630	0.8
502.07632	0.4
561.19952	0.9
579.21277	0.7
621.21814	1.0
679.35175	0.8
693.24756	1.0
705.23889	1.0
711.25134	1.4
723.25293	9.7
723.37231	0.4
724.25482	2.0
739.25629	0.7
741.26190	20.3
742.26312	4.1
753.26251	2.8
754.27539	0.7
765.26105	3.1
766.26715	0.7
778.97748	0.5
783.27362	22.6
784.15021	0.5
784.27692	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	774.4311
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	0.3
59.84065	0.1
61.61222	0.1
61.98830	100.0
69.44176	1.5
78.95924	0.2
104.24566	0.1
183.10321	0.4
184.10602	0.4
185.10893	0.2
222.69287	0.2
277.21768	0.5
278.22211	0.6
386.43414	0.2
522.95752	0.2
586.45941	0.2
629.68964	0.2
675.05609	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.3061
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	100.0
57.53296	0.9
58.03797	1.6
59.01378	94.1
60.01710	0.8
69.54248	6.3
71.01384	17.5
71.36584	0.8
73.02947	8.4
81.03479	1.8
83.01378	4.3
85.02958	10.0
87.00871	1.0
87.04530	1.2
89.02454	1.2
95.01389	1.3
99.00893	3.6
99.04527	98.2
100.04848	2.6
101.02450	35.2
102.02807	0.8
113.02464	8.6
116.92862	5.7
125.02454	38.4
126.02775	1.1
127.00438	0.7
137.09737	4.0
143.03534	4.9
149.02437	1.2
150.03192	1.6
155.10791	47.3
156.11078	2.5
158.22482	0.7
159.02968	2.5
160.23135	0.7
161.03502	0.9
161.04585	11.9
165.05524	2.6
193.04951	1.3
195.06601	1.1
199.09761	58.8
200.10043	3.4
241.10709	1.8
269.07434	1.2
269.10287	20.9
270.10587	1.7
311.11346	20.7
312.11465	1.9
351.14404	5.8
352.14441	1.2
355.10132	0.9
361.10745	1.2
361.14999	10.1
369.15405	1.3
392.03598	0.7
413.14520	87.6
414.14908	12.4
505.18271	2.3
523.19031	2.5
553.20404	3.4
554.20746	1.0
628.09180	0.9
750.68005	0.7
760.94061	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	776.4098
Annotation	Unknow
Peak:m/z	Relative Intensity
61.24563	0.1
61.98830	100.0
62.98538	0.2
70.82558	0.5
78.95901	0.2
89.96230	0.2
99.00896	0.1
101.74105	0.1
104.55177	0.1
111.47303	0.1
144.39531	0.1
146.96709	0.2
204.64122	0.1
209.11926	0.1
233.55559	0.2
249.18747	0.3
277.21643	0.2
289.18121	0.2
295.23254	0.1
359.58261	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.4823
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.6
58.00596	0.3
59.01380	5.5
61.98832	3.0
69.03444	0.8
71.01385	3.9
71.62414	0.4
71.62801	0.4
73.02953	0.5
80.91684	1.1
83.05034	0.4
85.02960	1.0
86.19479	0.4
87.00886	0.5
89.02447	3.1
95.05000	0.7
97.06596	0.4
101.02450	3.9
101.78016	0.3
111.08183	0.6
113.02496	1.7
113.09677	0.4
119.03550	0.8
143.03514	0.7
144.48207	0.4
149.09729	0.9
149.13350	0.7
151.11269	0.7
161.04596	2.0
167.10802	11.9
168.11136	0.5
176.58426	0.3
177.09175	0.4
179.05530	0.7
179.14432	0.9
195.10315	3.1
195.13901	8.3
196.14392	1.0
203.18047	1.5
203.27409	0.4
205.12422	0.6
211.13408	0.8
223.13393	5.6
224.13887	0.5
228.13672	0.9
235.08229	1.4
247.17001	5.1
248.17566	0.5
253.09282	24.1
254.09715	1.4
256.13242	1.2
265.18066	79.8
266.18405	7.2
275.20166	7.1
276.20367	0.4
293.21219	100.0
294.18179	0.7
294.21545	10.7
309.20880	0.5
501.27094	1.4
508.72751	0.4
529.30109	1.9
530.30603	0.4
541.39056	3.6
542.39258	0.6
642.50305	0.4
682.32281	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.3141
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	0.4
61.98828	0.4
70.23006	0.1
71.01392	0.4
73.02946	4.2
75.00871	0.4
81.71365	0.1
87.42963	0.1
99.00881	0.8
99.92593	8.6
100.92606	0.5
100.93327	0.1
109.06612	0.1
114.93450	0.4
115.00430	0.6
116.00758	0.1
116.03575	0.1
116.92873	100.0
116.97229	1.0
117.01947	8.5
117.05598	0.2
117.92886	5.9
118.05123	0.1
199.09749	0.2
207.10255	0.2
225.11252	0.2
249.18576	0.4
253.09328	0.2
255.23347	0.1
277.21738	0.7
278.22134	0.2
313.19232	0.2
397.13586	0.2
667.36914	0.2
693.38623	0.2
771.41217	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.4569
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	17.1
59.48950	0.3
59.53274	0.3
61.98828	2.0
65.72766	0.3
69.03464	0.7
71.01381	2.1
72.01365	0.3
72.99318	0.5
73.02975	0.7
77.69012	0.3
79.06050	0.3
83.01421	0.4
83.04977	0.4
84.15968	0.3
85.02951	0.8
87.00887	0.6
89.02459	1.3
101.02445	2.6
109.06634	0.3
113.02491	1.3
137.09706	0.3
139.11317	2.1
142.41594	0.3
145.05093	0.5
152.45976	0.3
155.10831	3.5
161.04573	1.4
165.09219	0.9
183.10284	72.2
184.10605	4.3
206.53865	0.3
235.08228	5.0
251.00551	0.3
253.09300	7.4
254.09599	0.5
277.21716	100.0
278.22058	9.4
278.24939	0.7
296.07614	0.4
311.58200	0.4
401.18137	3.1
419.19226	3.9
513.30676	3.3
514.30792	0.5
648.88519	0.4
679.40741	1.2
680.41290	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.3939
Annotation	Unknow
Peak:m/z	Relative Intensity
57.00250	0.1
59.01373	0.3
61.98828	100.0
62.98528	0.2
62.99254	0.1
70.09934	0.1
71.01391	0.2
78.95915	0.2
83.05090	0.1
108.03764	0.1
116.92877	1.7
117.92851	1.0
118.92608	0.6
118.93422	0.2
119.03529	0.2
119.94703	0.7
121.02943	0.6
152.99599	0.2
155.07199	0.1
173.08228	0.1
181.08707	0.8
182.09036	0.2
193.29221	0.1
209.11887	0.1
226.79112	0.1
235.08185	0.2
249.51903	0.1
253.09224	0.2
255.23233	0.2
277.21680	1.4
278.22055	1.1
299.96674	0.1
336.99750	0.1
337.70917	0.1
397.13712	0.3
409.67233	0.1
592.63483	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	771.3137
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74280	0.1
59.01406	0.2
59.67637	0.1
61.69986	0.1
61.98829	0.7
65.93136	0.1
70.14784	0.1
71.01395	0.2
71.62424	0.1
73.02948	2.8
75.00871	0.2
89.02458	0.1
97.93147	0.1
99.00882	0.5
99.92595	8.4
100.92614	0.5
100.93314	0.2
114.93429	0.5
115.00385	0.3
116.92874	100.0
116.97190	0.9
117.01949	5.3
117.92883	5.2
164.98715	0.1
220.65265	0.1
277.21783	0.7
397.13562	0.2
663.15210	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	771.2743
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.6
57.03437	0.8
58.00611	0.3
59.01377	100.0
60.01717	1.2
71.01384	12.7
71.71696	0.2
72.01719	0.3
72.99319	0.5
73.02953	3.9
83.01385	1.7
85.02957	5.4
87.00882	0.9
89.02451	4.0
93.03471	0.2
95.01411	0.8
96.95972	0.3
97.02975	0.4
99.00886	2.6
101.02453	10.2
102.02785	0.3
102.98627	0.5
104.41434	0.2
107.01421	0.2
109.02962	0.2
112.33070	0.2
113.02459	5.2
116.92888	0.2
119.03511	0.3
121.02976	0.9
122.03770	0.6
123.04517	0.2
125.02505	0.6
127.00447	0.4
129.02020	0.2
131.03516	0.5
132.02269	0.2
135.04556	0.2
137.09752	0.4
143.03511	0.5
147.04591	0.2
149.02501	0.5
149.04564	2.6
150.03253	2.9
151.00449	0.5
151.03987	0.5
155.10800	3.6
159.02998	1.0
161.02570	1.2
161.04556	5.2
161.05902	0.3
162.04904	0.2
165.04185	0.3
165.05582	5.1
165.06902	0.3
166.05116	0.3
167.03561	0.3
176.04781	0.8
178.99916	0.5
179.03519	2.7
179.05078	0.2
179.05727	0.2
179.07141	0.3
180.04092	0.3
189.00493	0.8
191.05643	0.8
191.07198	0.3
194.05847	2.1
195.06593	1.5
199.09726	1.8
200.10199	0.2
209.08188	2.5
210.04138	0.5
221.06711	0.4
255.03059	0.8
269.10269	11.5
270.10559	0.8
271.02435	1.7
273.04169	0.2
283.05084	0.7
300.02710	2.4
300.06052	0.2
301.03372	1.4
302.03915	0.2
307.14102	0.3
311.11368	8.8
312.11838	0.7
312.40726	0.2
335.12552	0.6
346.14331	0.2
355.10379	0.4
357.13510	0.2
361.15530	3.3
362.16049	0.3
371.19711	0.2
405.15796	0.4
415.16034	2.5
415.20523	0.2
450.41672	0.2
501.16623	0.3
519.17041	1.7
520.17444	0.4
523.22040	0.3
561.18262	3.5
561.26520	0.3
562.19073	0.5
662.18939	0.2
685.27252	0.4
727.28064	1.0
728.29822	0.2
771.19720	2.3
771.34485	0.3
772.21246	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.3738
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.6
57.03446	4.3
58.00579	1.8
59.01377	65.3
60.01702	1.4
61.98817	0.8
69.03446	1.6
71.01384	53.1
71.02867	1.6
72.01710	0.7
72.99310	4.6
73.02953	12.7
78.95908	0.8
83.01391	6.4
85.02954	21.1
86.00089	0.7
87.00883	9.7
89.02451	26.4
92.53854	0.6
95.01399	5.2
97.02939	2.3
97.06579	1.5
99.00889	4.5
101.02455	30.1
111.00877	3.3
113.02464	26.2
116.92869	10.1
119.03533	8.7
121.10223	0.9
122.06141	0.9
124.01666	0.7
125.02444	4.5
127.00410	1.5
129.01897	0.9
137.09718	1.4
139.00406	0.7
143.03534	3.6
149.04604	0.7
150.16966	0.6
159.02983	1.1
161.04536	4.1
167.10806	0.8
171.13905	1.1
179.05643	1.8
189.00423	1.6
189.04318	1.0
191.05592	1.2
200.14133	1.6
201.14928	1.6
209.11809	0.7
215.16542	0.7
228.35460	0.6
229.17999	2.0
257.12991	3.6
258.12967	0.9
267.11258	1.0
270.88928	0.8
285.12262	0.8
301.11844	3.4
329.11459	1.9
339.25385	1.1
344.18521	1.1
352.05240	0.7
354.80179	0.7
357.26349	5.1
358.26398	0.9
362.19345	2.3
394.18060	0.8
483.29678	2.8
501.30704	10.9
502.30963	1.2
519.31689	8.2
543.31512	1.3
647.36395	1.5
663.36023	100.0
664.36334	21.2
665.37640	1.4
681.37201	51.9
682.37653	11.4
723.38251	40.2
724.38477	9.9
768.40100	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.2015
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	2.8
59.01366	1.1
67.01887	0.3
71.01401	0.7
71.60241	0.3
73.02943	0.3
83.16694	0.2
85.02972	0.6
87.00894	0.4
93.03460	1.4
95.05083	0.3
96.78086	0.2
97.02975	0.4
99.04530	2.1
100.04836	0.2
100.37244	0.2
101.02458	0.8
105.03457	0.4
108.02180	1.1
111.04564	0.3
119.05056	0.3
120.02171	0.2
121.02986	1.1
123.04537	1.0
125.02464	4.4
132.02196	0.3
133.02991	1.5
134.03764	0.2
148.01683	0.6
149.02449	1.4
154.46443	0.2
163.04070	0.2
165.01984	0.2
173.04610	0.3
175.99597	0.4
176.01167	10.0
177.01945	100.0
178.02290	5.4
189.00488	0.3
191.05629	3.8
192.05934	0.6
193.04959	0.4
195.06551	0.5
337.09290	0.9
338.09570	0.5
339.07208	55.9
340.07565	5.8
427.99588	0.2
431.12018	1.3
432.12265	0.3
625.53510	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.2429
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.7
57.03439	1.2
59.01377	16.5
69.03454	0.5
71.01383	18.0
72.01736	0.4
72.99323	0.9
73.02952	4.4
83.01376	1.8
85.02956	7.7
87.00887	1.3
89.02453	4.6
92.41194	0.5
95.01416	0.7
97.02964	0.9
99.00892	2.2
101.02455	13.4
101.03112	0.8
113.02457	11.5
116.92918	0.4
119.03510	2.1
121.02991	3.1
123.04504	0.5
125.02444	1.8
127.00390	0.4
131.03537	1.1
134.03691	0.4
135.04521	0.8
136.01591	0.4
143.03554	2.2
144.28772	0.4
145.02986	0.9
147.04543	0.8
159.02998	1.5
159.04488	0.5
160.05325	0.8
161.04576	7.2
163.04004	1.2
175.04044	3.8
177.05643	0.8
179.05588	0.5
179.07066	0.6
188.04845	0.7
189.00430	0.8
190.06340	2.6
203.07155	2.1
205.08632	2.3
209.11792	0.5
217.06627	0.6
219.08231	0.4
221.06570	2.2
222.05269	2.5
223.07576	0.6
233.06020	0.8
235.07678	1.5
239.07140	0.8
243.84328	0.4
245.06003	0.4
247.97401	0.4
248.64328	0.4
249.05745	0.7
251.07088	1.5
253.08757	2.1
261.05521	1.5
263.07065	3.3
264.07672	1.3
265.08588	0.9
267.06662	1.9
268.07385	0.7
268.11096	0.9
269.08160	4.6
270.08612	0.7
273.05576	0.4
275.07150	0.8
276.07813	0.4
278.09470	1.0
279.06607	4.0
280.07327	1.4
281.08182	10.1
282.08612	1.8
283.09726	1.8
291.06717	1.9
291.09552	0.4
292.07367	0.8
293.08102	3.1
294.08871	4.3
295.09729	1.2
296.06879	1.0
296.10507	2.7
297.07684	19.9
297.10928	1.1
298.08014	2.3
305.08472	0.7
306.09161	0.4
307.09753	1.0
308.10544	3.1
309.07748	37.7
309.11252	7.6
310.08051	3.5
310.11566	0.9
311.09164	1.5
311.12894	2.3
312.10025	18.2
313.10419	2.5
315.14880	0.5
315.17957	2.0
323.09277	8.5
323.12906	2.0
324.10019	34.4
325.10413	4.5
326.11621	0.8
327.12357	55.2
328.12750	5.7
339.12357	100.0
340.12692	13.4
341.14026	1.8
357.13336	2.3
452.01190	0.4
545.20221	0.9
651.22052	0.6
663.22845	6.1
664.23462	1.1
681.24292	6.4
682.24426	1.2
693.24353	2.8
705.24207	7.8
706.24976	2.0
723.25220	13.0
724.25189	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	765.3576
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	0.5
60.99306	16.8
61.98816	0.5
64.95317	0.1
71.01391	0.5
73.02925	0.2
74.67350	0.1
86.09022	0.1
87.00883	2.1
88.00410	4.0
88.01233	0.4
88.98813	100.0
89.02446	20.0
89.99152	1.2
90.02786	0.3
93.34427	0.1
97.62511	0.1
98.20676	0.3
98.43415	0.1
101.02445	0.3
109.76339	0.1
113.02474	0.1
114.94827	0.1
125.02417	0.2
148.90962	0.1
173.73264	0.1
227.39743	0.1
235.08125	0.2
245.70651	0.1
277.21695	0.9
397.13495	1.5
398.13568	0.2
415.14288	0.5
532.75342	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	765.3575
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	0.4
59.56203	0.1
60.99305	17.0
61.98820	0.3
61.99685	0.1
71.01385	0.4
87.00887	1.3
88.00408	3.7
88.01241	0.2
88.98812	100.0
89.02444	14.5
89.99149	1.2
90.02747	0.1
95.42127	0.1
98.19870	0.3
101.02455	0.3
125.04576	0.1
169.06697	0.1
171.10226	0.2
229.51999	0.1
253.09248	0.1
277.21783	0.6
397.13513	1.2
398.13593	0.2
415.14270	0.4
416.14270	0.2
468.25629	0.1
626.74298	0.1
720.32849	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	767.2429
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.7
57.03439	1.2
59.01377	16.5
69.03454	0.5
71.01383	18.0
72.01736	0.4
72.99323	0.9
73.02952	4.4
83.01376	1.8
85.02956	7.7
87.00887	1.3
89.02453	4.6
92.41194	0.5
95.01416	0.7
97.02964	0.9
99.00892	2.2
101.02455	13.4
101.03112	0.8
113.02457	11.5
116.92918	0.4
119.03510	2.1
121.02991	3.1
123.04504	0.5
125.02444	1.8
127.00390	0.4
131.03537	1.1
134.03691	0.4
135.04521	0.8
136.01591	0.4
143.03554	2.2
144.28772	0.4
145.02986	0.9
147.04543	0.8
159.02998	1.5
159.04488	0.5
160.05325	0.8
161.04576	7.2
163.04004	1.2
175.04044	3.8
177.05643	0.8
179.05588	0.5
179.07066	0.6
188.04845	0.7
189.00430	0.8
190.06340	2.6
203.07155	2.1
205.08632	2.3
209.11792	0.5
217.06627	0.6
219.08231	0.4
221.06570	2.2
222.05269	2.5
223.07576	0.6
233.06020	0.8
235.07678	1.5
239.07140	0.8
243.84328	0.4
245.06003	0.4
247.97401	0.4
248.64328	0.4
249.05745	0.7
251.07088	1.5
253.08757	2.1
261.05521	1.5
263.07065	3.3
264.07672	1.3
265.08588	0.9
267.06662	1.9
268.07385	0.7
268.11096	0.9
269.08160	4.6
270.08612	0.7
273.05576	0.4
275.07150	0.8
276.07813	0.4
278.09470	1.0
279.06607	4.0
280.07327	1.4
281.08182	10.1
282.08612	1.8
283.09726	1.8
291.06717	1.9
291.09552	0.4
292.07367	0.8
293.08102	3.1
294.08871	4.3
295.09729	1.2
296.06879	1.0
296.10507	2.7
297.07684	19.9
297.10928	1.1
298.08014	2.3
305.08472	0.7
306.09161	0.4
307.09753	1.0
308.10544	3.1
309.07748	37.7
309.11252	7.6
310.08051	3.5
310.11566	0.9
311.09164	1.5
311.12894	2.3
312.10025	18.2
313.10419	2.5
315.14880	0.5
315.17957	2.0
323.09277	8.5
323.12906	2.0
324.10019	34.4
325.10413	4.5
326.11621	0.8
327.12357	55.2
328.12750	5.7
339.12357	100.0
340.12692	13.4
341.14026	1.8
357.13336	2.3
452.01190	0.4
545.20221	0.9
651.22052	0.6
663.22845	6.1
664.23462	1.1
681.24292	6.4
682.24426	1.2
693.24353	2.8
705.24207	7.8
706.24976	2.0
723.25220	13.0
724.25189	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	765.2276
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.8
57.03443	0.9
58.00593	0.2
59.01377	100.0
59.67475	0.1
60.01721	1.0
62.79808	0.1
67.15372	0.1
69.03450	0.2
69.61411	1.0
70.43262	0.1
71.01383	11.0
72.01729	0.2
72.99320	0.3
73.02950	4.1
75.00867	0.2
76.79446	0.1
82.32831	0.1
83.01392	1.8
85.02955	5.7
87.00895	0.4
89.02470	0.6
95.01392	1.0
97.02972	0.4
98.19874	0.1
99.00880	1.7
101.02452	9.2
113.02460	4.7
125.02496	0.3
129.01970	0.2
143.03529	0.6
147.04482	0.2
159.03023	1.3
161.04567	5.3
162.04884	0.2
170.76993	0.1
173.06140	0.3
187.04021	0.2
203.07166	1.0
218.84009	0.1
251.09261	0.2
254.98083	0.1
269.10284	12.2
269.93661	0.1
270.10593	0.7
311.11371	6.3
312.11835	0.5
352.62939	0.1
355.10214	0.1
366.22409	0.1
409.11459	1.4
410.12137	0.3
764.43256	0.3
765.42987	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	765.2279
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	0.5
59.01378	12.0
61.98823	0.4
69.03421	0.4
70.90205	1.1
71.01387	8.0
72.00887	0.3
72.99303	0.4
73.02956	2.9
83.01393	1.3
85.02960	2.7
87.00880	0.6
89.02454	2.7
95.01385	0.6
96.95983	0.7
98.75312	0.3
99.00872	0.9
99.90455	0.3
101.02457	7.4
105.33591	0.3
108.02209	0.3
113.02467	4.3
119.03511	1.1
119.05044	0.8
125.02427	0.6
127.00367	0.4
131.03500	0.4
136.01688	2.5
143.03540	1.0
145.02928	0.4
147.04486	1.8
149.04617	0.6
151.04010	3.5
155.17293	0.3
159.03036	0.4
161.04585	2.7
165.05597	0.5
166.02722	0.4
175.04016	12.5
176.04741	2.5
177.05566	0.5
179.05634	0.7
181.05093	0.5
184.08113	0.3
188.04771	1.3
189.00401	0.7
190.06354	5.5
204.04291	0.7
208.03900	0.6
212.00491	0.3
218.05849	1.4
219.06613	1.2
221.06529	1.2
222.05287	5.3
222.07253	0.4
223.07590	0.6
231.06665	0.4
235.07603	1.4
237.05562	1.2
238.06203	0.4
239.07094	0.5
245.57158	0.3
246.56227	0.3
249.05516	0.4
250.06314	0.5
251.03345	0.6
251.07117	2.2
252.08058	0.4
261.05426	0.4
263.07199	1.3
265.05057	0.7
266.05884	1.3
266.09415	1.2
267.06619	4.8
277.04883	0.7
278.05862	0.5
279.06607	18.6
280.07071	2.2
281.07999	1.6
282.08386	0.5
287.66055	0.4
291.06638	6.0
292.07379	1.9
293.08005	0.5
294.05350	3.5
294.08969	2.1
295.02686	0.3
295.06122	15.4
296.06665	3.0
305.08386	1.0
306.08942	4.8
307.06125	27.0
307.09363	1.4
308.06519	3.1
309.07690	6.5
310.08450	12.3
311.09061	2.9
321.07678	2.0
322.08466	33.6
323.08789	5.3
324.10043	4.0
325.10794	20.1
326.11182	2.5
327.12485	0.9
337.10815	100.0
338.11179	12.9
339.08646	0.4
355.11810	1.1
357.13513	1.3
382.24652	0.4
417.15704	0.6
581.75104	0.4
649.22058	0.5
661.21381	4.8
662.21899	1.0
679.22870	1.4
691.22559	4.2
692.23187	1.0
703.22534	5.5
704.23120	1.3
721.23651	22.2
722.23944	5.1
723.25366	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.2668
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.2
61.98811	0.2
71.01386	0.2
71.66351	0.1
73.02950	5.5
74.03292	0.1
75.00877	0.4
83.48339	0.1
87.00900	0.1
89.02442	0.1
99.00884	1.0
99.92595	8.8
100.92603	0.5
114.93425	0.5
115.00391	0.3
116.03590	0.1
116.92876	100.0
116.97210	0.6
117.01950	11.1
117.05595	0.2
117.92882	5.9
118.02306	0.2
118.05103	0.1
150.71553	0.1
182.89369	0.1
249.18622	0.2
251.47058	0.1
397.13785	0.1
423.81760	0.1
463.10300	0.1
487.74548	0.1
630.00439	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	763.4299
Annotation	Tarasaponin VI
Peak:m/z	Relative Intensity
53.02877	0.1
55.01872	0.9
55.97901	0.1
57.03445	2.0
58.00597	0.7
59.01378	14.2
67.01889	1.3
68.99815	0.9
69.03449	0.3
69.47480	1.3
70.94765	0.1
71.01386	13.0
72.01730	0.2
72.99311	2.8
73.02950	0.9
75.00879	4.7
83.00909	0.3
83.01391	3.5
83.15405	0.1
84.02138	0.1
85.02957	11.1
86.03299	0.3
87.00889	0.8
89.02453	7.1
95.01398	5.3
97.02954	1.3
98.20603	0.3
99.00888	5.3
101.02477	1.0
111.00891	5.7
112.01746	0.3
113.02459	8.1
114.02772	0.2
117.01944	0.1
129.01950	1.3
130.99841	0.3
131.03517	1.0
139.00391	3.4
140.00749	0.2
149.04605	0.3
157.01437	1.2
158.52313	0.1
170.49883	0.1
191.05644	0.2
390.02734	0.1
407.33313	0.2
407.60410	0.1
437.34167	0.9
438.34485	0.2
453.33710	2.6
454.34055	0.4
455.35275	6.2
456.35614	1.2
483.34692	2.7
484.35107	0.5
497.36490	0.3
511.34329	1.0
512.33966	0.2
523.37848	0.5
537.35870	1.1
538.36462	0.2
549.36060	0.5
550.35876	0.2
551.37360	4.1
552.37433	0.8
569.38464	2.9
570.38715	0.7
595.36304	0.3
631.38483	0.5
632.38660	0.3
670.65521	0.2
690.46698	0.2
701.43225	0.2
706.13647	0.2
763.42987	100.0
764.43335	27.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.3846
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	0.8
61.98829	100.0
62.98518	0.1
64.47990	0.1
66.86701	0.1
68.99568	0.6
71.01386	1.0
71.58650	0.2
78.95928	0.3
83.05011	0.1
101.02505	0.2
103.90467	0.1
112.97832	0.1
112.98535	0.7
113.02495	0.2
114.93478	0.3
115.00388	0.2
152.99640	0.1
163.11426	0.1
165.12901	0.1
171.10281	0.6
181.08772	0.3
182.09135	0.1
197.11714	0.2
199.09845	0.2
207.10329	0.2
208.10815	0.1
209.11826	3.4
210.12192	1.7
225.11456	0.1
226.11784	0.2
227.12863	0.2
229.14452	0.7
249.18550	1.7
250.18930	1.2
251.19241	0.2
253.09410	0.4
277.21710	1.5
278.22101	0.5
293.21375	0.2
350.98593	0.1
445.20450	0.2
446.21429	0.2
453.47235	0.1
502.39566	0.1
696.39899	0.2
711.71503	0.1
757.44586	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.3842
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58436	0.1
59.01379	0.6
61.94743	0.1
61.98829	100.0
62.98531	0.2
70.75106	0.4
71.01379	0.4
76.65564	0.1
78.95918	0.2
80.96536	0.2
83.01405	0.1
83.05055	0.1
100.37018	0.1
103.76392	0.1
116.92876	0.3
136.64435	0.1
171.10275	0.2
181.08711	1.2
182.09088	0.5
197.11884	0.2
199.09816	0.2
209.11858	0.3
235.08301	0.2
249.18567	0.3
253.09283	0.4
276.91479	0.2
277.21680	2.4
278.22055	1.2
279.22400	0.3
375.81201	0.1
435.09253	0.2
439.74487	0.1
555.28424	0.2
696.40381	0.2
756.40967	0.2
761.84113	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	758.4002
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08907	0.2
59.01377	1.8
61.98830	100.0
68.16531	0.2
71.01376	0.4
71.58210	0.3
71.58685	0.3
78.95929	0.9
102.45133	0.3
116.92889	0.8
152.99644	0.9
169.12424	0.5
171.10335	0.3
181.08771	0.3
182.09081	0.3
197.11839	6.9
197.13542	0.5
198.12213	3.2
209.11803	0.5
249.18600	2.7
250.18927	1.9
253.09406	0.6
277.21844	0.7
278.22113	0.4
279.23071	0.3
293.21078	0.4
325.18423	0.5
355.72852	0.3
433.21191	0.6
434.21222	0.4
758.47070	0.3
759.44458	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.2904
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03427	0.6
59.01379	14.7
59.46719	0.5
67.57367	0.4
71.01376	1.1
71.70605	0.4
71.70985	0.7
73.02935	1.5
85.02953	0.7
96.23508	0.4
99.00856	0.5
101.02448	0.6
109.09991	0.5
119.04973	0.7
122.38483	0.5
139.11308	16.1
149.06084	0.5
151.82285	0.5
161.04578	0.5
165.09259	0.8
177.02031	0.6
179.05672	0.7
181.12349	9.3
182.12749	0.6
183.10269	24.0
184.10602	1.4
189.00415	0.9
191.05630	0.9
193.05060	1.1
197.11815	0.5
199.13402	6.0
205.08414	0.6
225.11324	8.8
226.11639	0.8
243.12364	37.5
244.12668	2.4
265.10477	1.1
313.70941	0.5
324.27069	0.4
405.17661	100.0
406.18021	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	755.3373
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.8
57.03439	1.1
57.45197	0.7
58.00601	0.9
59.01376	41.9
61.98819	2.8
69.03452	1.2
69.47060	6.0
71.01385	28.0
72.99313	1.2
73.02316	0.7
73.02949	10.1
75.65278	0.7
83.01385	3.8
85.02956	7.1
87.00893	5.9
88.98822	1.8
89.02448	12.5
89.07733	0.6
95.01362	1.5
96.90778	0.7
96.95997	1.0
97.02976	1.2
99.00870	3.1
99.08179	0.9
101.02451	20.2
111.00853	0.7
113.02456	10.0
116.92823	0.7
117.98695	0.6
119.03491	4.8
123.08115	0.7
125.02451	1.8
127.00401	0.8
131.03523	3.3
149.04616	0.7
159.02937	0.8
161.04575	4.9
179.05675	1.1
184.61435	0.9
189.00462	1.6
221.06674	4.5
267.19626	0.8
374.27557	0.7
429.24716	0.8
481.48431	0.7
609.31494	0.8
651.32684	2.1
669.34387	1.1
693.33325	2.2
711.34601	100.0
712.34912	23.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.4104
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	5.9
57.03438	5.4
59.01379	89.7
61.98833	28.3
68.34436	2.5
70.85553	6.8
71.01385	66.1
73.02612	2.5
73.02945	20.0
75.00876	8.1
83.01389	20.0
83.35215	2.4
85.02958	29.8
87.00831	4.0
88.98854	4.2
89.02463	17.3
93.22812	2.8
95.01398	11.8
96.96040	5.9
97.02940	7.6
99.00891	7.6
101.02464	37.4
111.00890	7.7
112.01684	3.4
113.02467	34.4
113.03613	3.4
116.74323	2.7
119.03486	6.8
124.52338	2.9
125.02450	9.7
127.00265	3.1
137.02335	3.0
141.91104	3.4
143.03528	10.5
159.02979	3.4
161.04564	8.3
169.29016	2.9
189.00456	4.0
345.29962	20.2
441.32117	8.3
453.32159	5.7
489.34341	24.4
507.35248	21.4
531.34180	4.2
549.36646	4.8
651.39606	78.9
652.40186	19.3
669.40674	100.0
670.41461	19.0
711.42059	41.3
712.42004	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	755.4252
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	18.4
61.98829	17.9
68.42014	0.5
71.01385	2.4
73.02940	0.8
78.95927	1.8
80.02685	0.6
81.03471	1.1
83.01390	1.4
83.05032	9.8
87.00886	1.0
89.02441	1.5
89.49515	0.5
95.05040	0.7
97.06560	0.6
98.19890	1.2
101.02444	2.6
106.03334	0.5
109.06588	1.4
113.02464	1.3
117.15486	0.5
135.08157	2.8
135.93657	0.4
137.09738	1.2
152.99634	1.0
161.04567	1.4
163.07674	1.2
169.12349	1.1
181.08717	67.6
182.09056	4.5
199.09755	4.7
199.13394	0.6
209.11801	4.0
215.14417	0.6
227.12895	0.6
229.84613	0.7
235.08241	5.4
249.18649	2.8
253.09244	9.8
262.55219	0.5
277.21710	100.0
278.22061	11.6
394.60071	0.5
417.17770	1.1
513.30511	1.7
570.26971	0.6
755.40918	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.4094
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28172	0.3
54.42908	0.3
55.01872	0.6
56.54320	0.3
59.01379	9.9
61.98818	1.5
70.44772	0.4
71.01379	3.4
73.02934	0.9
83.01379	0.9
83.05018	0.5
85.02946	1.0
87.00881	1.1
89.02463	1.6
95.05042	0.6
97.02950	1.6
97.06580	1.5
99.00887	13.6
99.04473	0.4
101.02446	2.9
110.03724	0.6
112.57391	0.3
113.02470	1.2
117.07124	2.6
119.54641	0.4
123.04529	4.2
129.74190	0.3
133.06577	0.9
133.68459	0.4
135.08174	6.2
142.02716	1.4
145.05063	0.4
153.09227	19.4
154.09494	0.8
161.04538	1.1
169.08926	0.3
179.05727	0.5
179.07156	5.2
197.08199	37.6
198.08514	2.0
215.09261	4.1
235.08240	4.5
253.09262	6.2
273.88034	0.4
275.20123	0.7
277.21710	100.0
278.22052	10.5
317.12329	0.5
415.16083	4.0
433.17130	5.4
503.44730	0.6
513.30658	1.3
549.34100	0.5
590.71918	0.4
693.38727	18.9
694.39154	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	753.3947
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	3.4
57.03448	4.2
58.00599	1.9
59.01378	79.9
60.01696	1.6
60.06205	1.2
61.98829	25.3
63.71384	1.1
69.03470	1.8
69.93100	8.4
71.01385	57.1
72.01745	1.3
72.99308	4.0
73.02943	14.6
75.00883	8.5
80.90628	1.2
83.01390	10.5
85.02951	25.3
86.00114	1.7
86.03254	1.2
87.00871	6.9
88.98839	3.2
89.02446	21.2
95.01388	6.9
97.02940	3.0
99.00903	5.7
101.02453	33.4
111.00874	3.4
112.01639	1.4
113.02464	26.3
116.92899	1.6
119.03531	6.9
124.01714	1.7
125.02457	6.8
127.00414	2.1
138.10712	1.3
143.03526	3.6
157.12364	3.0
159.02968	1.7
161.04539	4.9
171.13782	1.5
179.05609	1.8
189.00429	4.5
191.05556	2.6
209.11816	1.8
343.28336	3.5
487.32852	7.5
487.85577	1.3
505.33923	8.1
506.34164	1.6
541.58502	1.3
633.38867	2.3
647.36084	1.7
649.38098	100.0
650.38647	20.3
651.39447	2.8
667.39209	77.5
668.39441	17.3
709.27740	2.4
709.40277	48.5
710.40527	10.9
711.41077	1.6
753.35242	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.4092
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	0.8
59.01102	1.1
59.01379	17.9
61.98835	1.5
69.56133	2.0
69.56553	4.5
70.47159	0.6
71.01375	4.8
73.02939	0.9
74.88715	0.6
78.95924	1.2
80.42652	0.7
82.53752	0.7
85.02977	1.1
87.00915	0.8
89.02448	1.9
96.95992	1.0
97.02967	4.7
97.06621	1.1
99.00877	7.6
101.02444	2.6
108.81497	0.7
109.06607	1.3
113.02476	2.2
116.92866	1.6
125.09743	2.8
135.08157	1.8
136.05286	1.0
140.14978	0.7
142.02753	2.1
161.04546	0.9
163.11322	7.2
179.07028	1.3
181.12346	17.3
182.12755	1.1
199.13368	1.1
207.10268	49.3
208.10616	2.6
225.11317	100.0
226.11655	5.7
235.08350	1.7
235.39456	0.8
243.12366	11.5
249.18579	83.6
250.18895	8.3
253.09218	2.9
277.21677	4.1
279.19156	0.8
299.15198	0.7
317.15918	1.0
443.19009	5.1
461.20288	41.1
462.20676	4.6
693.38745	28.2
694.39301	7.4
710.23694	0.9
721.32971	1.0
753.41364	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.3946
Annotation	Unknow
Peak:m/z	Relative Intensity
54.54189	1.4
55.01880	4.0
57.03450	4.3
58.00584	2.7
59.01376	62.6
60.01722	1.5
61.98832	14.9
67.01910	1.6
69.03464	3.1
69.58211	1.3
71.01383	52.1
71.72310	1.5
72.99327	2.9
73.02943	13.4
75.00849	1.5
78.95911	1.7
83.01398	9.9
85.02962	23.1
87.00871	6.2
89.02448	15.6
95.01390	6.1
97.02979	3.0
99.00877	5.1
101.02449	35.5
111.00896	4.7
112.01723	1.6
113.02454	26.9
119.03509	4.4
125.02494	7.1
137.02466	2.1
143.03499	3.1
157.12378	3.5
158.45546	1.4
159.02954	2.1
161.04617	4.2
167.83121	1.8
179.05623	2.3
189.00360	2.5
191.05685	1.5
245.03154	1.4
335.68924	1.4
343.28616	2.0
487.32870	3.8
505.33960	7.7
529.33215	1.9
633.37653	2.2
649.38110	100.0
650.38452	21.3
651.39502	2.6
667.39185	72.7
668.39374	12.8
693.39471	2.6
709.40399	33.7
710.40155	7.9
711.40839	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	751.3781
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	1.0
61.98829	1.0
66.03333	0.2
66.95627	0.2
71.01369	1.0
72.99303	2.9
75.00876	100.0
76.01217	1.0
78.38627	0.2
85.02966	0.3
87.00871	0.2
89.02439	0.9
97.02992	0.2
98.19947	0.4
101.02451	1.0
110.84750	0.2
113.02447	0.6
113.71279	0.2
119.03534	0.4
125.02472	0.3
133.11356	0.2
143.03511	0.3
161.04646	0.3
179.05592	0.3
182.57744	0.2
235.08224	0.6
277.21756	3.1
278.22226	0.4
304.00449	0.2
397.13522	6.1
398.14020	0.8
415.14670	1.9
595.39691	0.2
675.36707	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.1705
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56306	0.2
55.01875	2.1
57.03453	8.2
59.01377	1.5
61.98828	1.5
68.52007	0.2
70.44228	0.7
71.01383	4.6
72.99325	0.3
73.02952	47.5
74.03292	0.9
75.00879	0.8
83.01395	30.6
84.01733	0.8
85.63958	0.2
87.00883	2.0
89.02478	0.3
99.00893	33.4
100.01215	0.5
101.02451	3.1
112.98779	0.3
113.02459	0.3
117.01944	1.1
127.00393	79.3
128.00731	2.4
133.02975	0.7
134.03773	0.5
135.04562	0.3
142.99887	5.8
145.01459	1.5
170.99394	2.1
177.01971	0.3
178.02715	0.4
189.00424	100.0
190.00729	3.6
191.05598	0.3
193.05159	0.2
253.85117	0.2
458.54282	0.2
498.76703	0.2
504.32275	0.6
546.33942	0.2
708.39294	0.7
709.39337	0.6
736.90479	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.1705
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	2.2
57.03447	6.7
59.01385	2.2
61.98829	4.6
63.52952	0.3
70.11745	0.4
71.01385	4.6
71.49721	0.6
72.99342	0.4
73.02950	45.6
74.03282	0.6
75.00876	1.0
83.01390	27.8
84.01740	0.7
87.00887	2.8
88.98841	0.8
90.38960	0.5
99.00890	32.5
101.02451	2.2
117.01972	1.0
125.83842	0.4
127.00391	76.4
128.00734	2.0
133.03012	0.6
134.03740	0.5
142.99886	5.0
145.01442	1.4
147.83667	0.3
170.99350	2.2
189.00420	100.0
190.00761	2.7
193.05133	0.4
200.25052	0.4
242.67755	0.4
257.21051	0.5
413.31348	0.4
559.86823	0.4
731.73590	0.4
753.33966	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	744.4043
Annotation	Unknow
Peak:m/z	Relative Intensity
56.18533	0.1
59.01374	0.3
59.89905	0.1
61.43858	0.2
61.98830	100.0
62.92118	0.2
67.45634	0.1
71.67463	0.2
78.53091	0.1
78.95914	0.2
82.35598	0.1
154.27100	0.1
168.12039	0.1
185.98087	0.1
188.33397	0.1
255.23340	0.3
278.21884	0.2
279.23389	0.3
285.27228	0.3
397.13486	0.1
398.13925	0.2
399.14206	0.2
400.14648	0.2
472.92218	0.1
509.89148	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.3978
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98819	0.3
78.95901	0.2
105.07110	0.2
107.05027	0.3
109.06612	0.8
134.07414	0.7
140.31535	0.2
149.06075	0.4
161.06068	1.3
162.06880	4.0
173.02478	0.3
173.06110	0.3
173.13345	0.2
185.02460	0.2
189.09212	0.3
191.03545	0.3
194.06021	0.2
199.11266	0.3
205.05054	0.2
206.05829	2.7
215.10635	0.2
217.05061	1.1
217.08728	1.2
217.12311	3.7
218.12686	0.3
225.09238	0.5
234.05539	0.1
238.04811	5.2
239.05220	0.3
243.10287	0.4
255.23318	0.4
261.11292	100.0
262.11624	8.6
365.61774	0.2
448.71365	0.2
583.17316	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.4509
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	1.2
59.01102	0.2
59.01376	2.9
61.47243	0.1
61.98825	0.6
64.44048	0.1
69.03458	0.5
69.42445	1.4
71.01381	0.8
73.02946	0.1
78.95890	0.2
81.03472	0.4
82.95578	0.2
83.05021	1.0
86.50735	0.1
93.07105	0.6
95.05030	4.1
96.05392	0.1
97.06596	13.5
98.06925	0.3
98.20699	0.3
99.08162	0.3
101.02449	0.3
109.06603	0.2
111.08154	0.5
113.09747	1.3
119.08646	0.3
121.10242	9.0
122.10574	0.3
129.54037	0.1
135.08159	0.3
139.07646	1.6
139.11301	0.1
141.05582	0.4
147.08177	3.1
157.08713	6.1
158.09047	0.2
160.82942	0.1
163.11183	0.2
165.09286	0.2
165.12860	2.4
169.08685	1.8
181.08693	0.6
183.10205	1.1
183.27075	0.2
191.14383	0.3
195.10245	0.5
201.16496	1.0
210.36543	0.1
219.10277	0.3
219.17505	2.0
235.08115	0.2
245.15453	1.3
246.15776	0.2
249.18568	6.6
250.18871	0.7
253.09291	1.1
263.16489	100.0
264.16815	9.0
272.87506	0.1
348.97311	0.2
369.51886	0.2
781.39185	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.3717
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41391	0.2
53.22357	0.2
59.01373	0.7
60.99307	16.8
61.98823	1.2
64.83197	0.2
70.51587	0.8
71.01392	0.3
87.00885	2.4
88.00412	4.9
88.01218	0.4
88.98814	100.0
89.02450	24.4
89.99157	1.3
90.02812	0.2
101.02448	0.5
119.03538	0.2
136.81235	0.2
152.99519	0.3
235.08403	0.3
255.23267	1.0
261.75388	0.2
278.22168	0.3
279.23322	0.2
373.93463	0.2
397.13574	2.0
398.13797	0.4
415.14572	0.6
506.26181	0.2
511.90494	0.2
624.14252	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.4726
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66730	0.6
59.01384	0.8
61.98835	1.1
63.94169	0.6
70.22764	2.1
77.25056	0.6
78.95910	35.0
96.96969	2.9
120.09275	0.7
152.99605	43.1
170.26170	0.7
171.00677	3.1
182.27396	0.6
227.03311	5.6
230.61707	0.6
245.04311	1.3
246.83403	0.7
253.21718	29.8
254.22107	2.0
255.23210	4.6
275.20206	2.0
277.21719	74.4
278.22046	8.4
376.76700	0.6
413.20895	3.0
483.27347	3.7
487.24673	0.8
505.25693	100.0
506.25964	13.8
667.77948	0.7
694.26819	0.7
741.47284	33.7
742.47729	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	741.4726
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23448	0.6
59.01373	1.7
61.98829	7.9
65.62223	0.6
70.15763	2.6
78.95907	46.6
96.96981	3.6
98.20013	0.9
112.39534	0.6
134.98599	1.0
146.96634	0.7
150.98039	0.8
152.99599	61.7
154.00014	0.7
171.00674	4.8
195.92445	0.6
227.03220	5.4
233.22757	1.1
245.04309	1.1
253.21721	30.7
254.22043	2.6
255.23328	2.8
259.20551	1.0
275.20154	1.3
277.21713	100.0
278.22092	9.3
323.58600	0.6
413.21048	2.6
463.24686	0.8
483.27359	1.5
487.24539	0.8
505.25677	99.1
506.26025	12.8
540.94006	0.6
674.76685	0.8
741.47205	37.5
742.47437	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	743.3709
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01358	0.8
60.99305	15.5
61.98829	30.4
62.98526	0.4
63.99272	0.5
71.01378	0.5
71.10402	0.8
78.95900	0.7
84.83022	0.3
87.00884	0.7
88.00410	3.4
88.98812	100.0
89.02451	14.9
89.03005	0.4
89.99129	1.6
101.02482	0.6
103.23463	0.3
152.99557	0.7
171.10252	0.3
209.11865	0.3
235.08313	0.4
255.23325	1.0
257.59720	0.4
277.21707	1.3
278.22040	0.3
279.23233	0.7
320.71231	0.3
397.13660	1.6
415.14838	0.4
464.90793	0.4
506.25919	0.5
507.26761	1.2
525.70074	0.3
743.48669	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.2991
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31526	0.1
55.01898	0.1
57.03452	0.2
57.60678	0.1
59.01389	1.4
63.02393	0.2
65.00327	0.3
69.47635	1.0
69.48051	0.3
71.01398	1.2
73.02981	0.4
81.03466	0.4
81.86301	0.1
83.01397	0.1
85.02949	0.3
87.00878	0.2
93.03448	0.3
99.00872	0.2
99.59824	0.1
101.02458	1.1
105.03474	0.8
105.07108	0.5
107.01409	1.6
107.05061	0.7
113.02460	0.9
119.05083	0.2
121.02986	0.4
121.70241	0.1
122.03780	0.5
123.04556	0.4
134.03795	0.2
135.04539	0.3
136.01720	0.2
137.06119	0.2
145.02953	0.2
146.03746	2.1
147.04535	0.3
149.02463	15.3
149.06100	5.3
150.03259	2.6
150.06415	0.2
151.04048	0.7
161.04570	0.7
161.06105	0.7
162.03226	0.3
163.04039	0.6
164.04826	2.0
165.05595	4.9
166.05849	0.3
175.04021	0.5
177.05505	0.3
179.05701	0.2
179.07150	1.9
185.90906	0.1
191.03598	0.8
191.05560	0.8
192.04228	0.6
193.05074	100.0
194.05415	5.4
195.06616	1.2
196.06972	0.1
203.23175	0.1
207.06705	0.2
217.05078	0.6
221.06732	0.2
223.40425	0.1
235.06102	2.6
311.07932	0.2
312.09756	0.2
323.10202	0.2
327.12598	0.8
331.64987	0.2
355.10349	76.0
356.10681	7.7
356.15213	0.3
367.10416	0.2
375.14459	0.4
501.16190	0.2
519.17090	1.9
520.17389	0.2
561.18420	3.1
562.18768	0.5
563.45239	0.2
699.25305	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.4299
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.1
57.49945	0.8
58.00587	1.1
59.01379	26.3
60.37974	0.9
61.98828	29.5
65.08679	0.9
67.95604	0.9
69.03468	1.4
69.53787	7.5
71.01383	24.1
72.99331	2.9
73.02956	3.1
75.00905	1.5
78.95903	9.0
81.03457	1.1
83.01410	3.7
83.96257	0.8
85.02952	5.2
87.00906	4.9
89.02452	20.1
95.01393	1.6
95.25174	0.7
97.02950	5.8
99.00912	1.6
101.02451	19.1
111.04545	1.2
113.02462	8.0
119.03525	4.9
125.02451	8.0
131.03555	1.5
133.05080	0.9
143.03540	3.0
152.99614	10.2
161.04565	3.6
179.05621	3.6
221.06543	1.9
235.08221	10.1
253.09315	2.4
253.21776	5.1
255.23335	1.4
261.04950	0.9
277.21710	16.4
277.24710	0.9
278.22131	2.3
279.23337	1.3
283.26422	72.1
284.26813	6.4
287.07764	2.8
295.22968	1.0
305.08844	2.7
323.09979	2.0
397.13513	100.0
398.13849	10.8
415.08942	1.4
415.14548	28.7
416.15021	2.7
505.25677	20.4
506.25732	3.0
681.40839	6.3
682.41235	2.2
741.47394	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	741.43
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	1.2
58.00590	1.0
59.01378	30.2
60.17452	0.8
61.58439	0.9
61.98832	33.7
69.56899	5.2
71.01386	27.1
72.99324	2.1
73.02965	5.5
73.22182	0.9
75.00890	1.2
78.95907	16.6
81.03459	1.0
83.01408	2.0
83.05004	0.8
85.02953	5.3
87.00887	4.3
87.04549	0.8
89.02449	21.9
95.01402	1.7
96.96960	1.1
97.02974	5.0
99.00887	2.6
101.02456	20.4
113.02460	9.3
119.03505	7.0
121.02971	1.1
125.02472	7.9
131.03490	1.1
133.05119	1.2
139.04005	1.1
143.03485	2.8
152.99602	20.0
158.31529	0.8
160.25864	0.7
161.04604	4.3
165.15573	0.8
169.05061	1.1
171.00691	1.9
179.05618	3.6
186.20776	0.7
217.07323	1.1
221.06694	1.0
225.11337	0.8
227.03262	2.0
230.73828	1.1
235.08221	8.9
249.18652	0.9
253.09332	1.9
253.21725	12.0
254.22110	1.0
255.23460	1.1
277.21716	37.4
278.21921	4.2
279.23129	1.6
283.26416	65.6
284.26779	6.6
287.07803	4.2
295.22699	4.3
305.08704	2.7
323.09830	1.0
397.13522	100.0
398.13907	9.2
415.14590	27.7
416.15012	2.8
496.39539	0.9
505.25708	44.4
506.25906	4.7
555.60742	0.9
681.40552	5.4
682.41083	1.5
741.47339	15.6
742.47345	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	740.3725
Annotation	Unknow
Peak:m/z	Relative Intensity
57.23825	0.0
59.01376	0.3
61.98828	100.0
62.98513	0.2
66.42491	0.1
70.58965	0.1
70.59361	0.1
71.01386	0.2
72.99235	0.1
78.95937	0.1
80.35433	0.1
89.02467	0.1
101.02480	0.1
113.02389	0.1
150.98482	0.0
152.99580	0.1
242.42888	0.0
244.33345	0.1
265.93954	0.1
277.21909	0.1
279.23419	0.2
280.23746	0.2
281.24048	0.1
282.24429	0.1
285.39993	0.1
397.13608	0.1
398.14081	0.2
399.14111	0.2
400.14441	0.1
418.15646	0.1
459.89404	0.0
505.26010	0.2
741.47797	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	740.3728
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	0.3
60.42310	0.1
61.98830	100.0
62.98534	0.2
63.64075	0.1
69.68899	0.5
71.01392	0.3
78.95915	0.1
89.02457	0.2
101.02482	0.2
152.99585	0.1
165.53687	0.1
195.10284	0.2
197.11771	0.1
249.18565	0.1
253.09227	0.1
277.21832	0.2
279.23404	0.3
280.23700	0.3
281.23871	0.2
397.13580	0.2
398.14142	0.2
399.13971	0.4
400.14526	0.3
416.15408	0.1
417.15045	0.1
418.15472	0.1
505.25781	0.2
633.17480	0.1
741.47974	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.4291
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	16.1
61.98829	8.9
64.20146	0.3
70.21747	1.2
70.22165	0.6
71.01391	1.5
72.21780	0.3
78.95903	0.9
85.02973	0.8
89.02459	1.3
98.20005	0.5
101.02460	1.5
101.35966	0.3
113.02444	0.9
135.00246	0.5
143.38458	0.4
152.99631	0.6
161.04593	0.7
167.14461	0.5
183.10300	0.5
183.13905	6.3
184.14244	0.6
193.12282	1.8
197.11809	0.5
211.13399	100.0
212.13747	7.1
212.15656	0.7
231.17567	0.5
235.08194	1.6
237.99855	0.4
249.18579	46.0
250.18861	4.3
253.09268	5.6
254.09613	0.4
277.21686	1.0
278.22202	0.4
279.23340	0.8
280.23669	0.4
297.37994	0.3
307.91156	0.3
331.95016	0.4
355.90573	0.4
429.21097	1.9
445.35074	0.3
447.22336	9.5
448.22617	1.4
485.27289	0.5
674.70947	0.4
739.41309	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.4137
Annotation	Unknow
Peak:m/z	Relative Intensity
57.61876	1.0
58.00586	1.7
59.01383	31.9
61.98826	4.2
64.18462	1.2
69.03405	1.2
71.01382	24.0
72.99296	1.4
73.02959	5.2
83.01395	2.7
84.00928	1.7
84.95132	2.5
85.02965	6.5
87.00865	5.8
89.02452	21.9
97.02969	4.1
99.00878	1.8
101.02450	21.4
113.02478	10.6
119.03490	5.3
125.02483	8.0
133.05032	1.7
135.99823	1.0
143.03494	3.4
147.25528	1.0
149.04555	1.0
161.04504	5.1
171.10300	8.5
179.05585	3.3
207.10251	1.7
217.07150	1.2
221.06677	1.8
225.11264	4.9
230.26851	1.7
231.81975	1.1
235.08263	12.6
253.09187	3.3
257.87918	1.1
262.66000	1.3
277.21695	12.0
278.21991	2.4
279.23148	2.3
280.23419	1.4
281.24844	82.2
282.25238	7.8
287.07672	2.2
305.08817	3.3
397.13513	100.0
398.13879	8.2
415.14581	33.0
416.14798	1.6
436.50336	1.2
679.39575	6.0
719.53644	1.1
749.45032	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.3409
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.7
57.03430	1.1
58.00606	0.6
59.01378	35.4
61.98832	3.0
66.00031	0.4
69.03454	1.2
69.44573	4.5
71.01383	19.0
72.99307	1.8
73.02948	12.8
81.03489	0.7
83.01385	4.8
83.05039	0.6
85.02958	6.7
87.00880	11.7
89.02458	6.0
90.94486	0.4
95.01391	1.6
96.96032	0.7
97.02959	2.0
97.06590	0.6
99.00893	3.2
99.04539	0.7
99.08176	1.2
101.01803	0.7
101.02451	13.3
102.02747	0.5
105.32978	0.4
113.02458	6.0
116.92806	0.4
117.01955	2.1
119.02003	0.4
119.03500	2.0
124.01723	0.6
125.02442	2.3
125.09718	0.4
127.11274	0.6
131.03548	0.7
139.11327	0.5
141.01976	1.1
143.03520	0.8
149.04579	0.7
155.10901	0.4
159.02953	0.5
161.04565	14.8
163.11273	1.3
165.12871	0.5
167.14330	0.6
171.10335	3.6
179.05618	51.5
180.05954	1.5
181.12395	0.5
183.13875	1.4
185.11876	0.5
203.05675	0.4
209.11809	1.3
211.13400	6.7
211.90831	0.4
212.13884	0.4
221.06609	3.9
229.14490	4.5
249.22269	0.9
293.21240	15.8
294.21530	1.5
307.22699	0.5
311.22296	11.5
312.22501	0.7
317.21182	0.7
324.30011	0.5
329.23328	13.7
330.23605	1.4
335.22168	1.4
353.22934	0.7
397.12219	0.5
455.26083	1.0
459.36963	0.4
473.27533	17.0
474.27939	3.8
491.28586	24.0
492.28922	3.8
515.28571	29.7
516.28943	5.6
533.29608	100.0
534.29962	15.7
621.19281	0.5
695.35492	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.3574
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	0.8
59.01379	4.9
61.98832	3.4
67.01851	0.3
69.03461	1.1
71.01382	2.4
71.05019	0.3
71.71397	0.6
72.99302	0.4
73.02948	1.0
74.72627	0.3
83.01409	0.5
83.05030	0.9
84.02196	0.5
85.02945	2.2
89.02454	0.9
95.05041	1.7
96.96033	1.1
97.06596	7.2
99.08156	2.2
101.02440	1.2
109.06606	0.6
111.04514	0.4
111.08125	0.4
113.02475	0.8
121.06597	0.9
121.10243	0.4
123.08176	0.4
125.06119	0.4
127.00401	0.7
127.07687	0.5
127.11285	1.2
135.08195	0.5
137.09755	1.6
139.07664	0.8
139.11292	2.1
143.07170	4.1
147.08199	0.4
148.07585	0.3
149.09761	2.3
155.10791	2.8
155.73102	0.3
157.08688	0.9
165.09236	0.9
167.10785	1.4
175.07652	0.6
181.08699	1.2
183.10274	14.7
184.10611	0.6
189.00317	0.4
193.08682	1.5
199.09846	0.4
201.11330	8.2
202.11679	0.5
211.09732	1.3
219.17534	1.1
233.46201	0.3
241.00934	0.4
250.11430	0.3
263.16437	2.3
281.17593	3.8
282.18076	0.5
285.04208	0.4
297.17468	0.4
299.18625	100.0
300.18979	10.2
389.28522	0.4
397.13681	0.4
415.14505	1.0
431.09625	0.5
439.15747	0.6
474.28244	0.3
491.28391	0.5
515.28638	0.6
533.29633	3.7
534.29779	0.7
635.36798	0.4
682.23444	0.3
695.35834	0.4
740.76971	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.3568
Annotation	Unknow
Peak:m/z	Relative Intensity
55.46660	0.0
59.01374	0.3
60.01702	0.1
61.98829	100.0
62.98536	0.1
62.99259	0.1
71.01389	0.3
72.01737	0.1
85.02987	0.1
87.00914	0.1
89.02463	0.2
101.02473	0.2
102.02782	0.1
113.02457	0.1
125.02464	0.1
190.17070	0.1
235.08197	0.1
245.50810	0.1
277.21701	0.3
278.22180	0.3
279.22559	0.2
280.22577	0.1
397.13821	0.2
398.13690	0.3
399.14020	0.5
400.14359	0.2
415.14874	0.1
416.14938	0.1
417.15314	0.2
609.28955	0.1
646.93427	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	738.3571
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46196	0.0
54.36842	0.0
58.19836	0.0
59.01376	0.3
61.98829	100.0
62.98545	0.2
71.01399	0.2
87.00899	0.1
89.02442	0.2
98.19806	0.1
101.02478	0.2
102.02762	0.1
113.02406	0.1
119.03538	0.0
125.02441	0.1
127.02198	0.0
127.04603	0.0
134.03798	0.1
159.26225	0.0
193.05194	0.1
235.08340	0.1
277.21628	0.3
278.22006	0.3
279.22461	0.2
280.22711	0.1
325.10471	0.0
387.41855	0.0
397.13556	0.2
398.13910	0.3
399.13986	0.4
400.14493	0.1
415.14948	0.1
416.14963	0.0
417.15280	0.2
418.15341	0.1
450.22028	0.0
548.95911	0.0
738.32019	0.1
738.51672	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.3244
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	0.7
60.99305	16.4
61.98821	0.4
62.50529	0.2
63.11572	0.2
69.58552	1.6
71.01372	0.5
77.35760	0.2
79.08163	0.2
87.00894	1.6
88.00413	5.3
88.98814	100.0
89.02449	18.9
89.99149	1.3
90.02805	0.2
98.19867	0.2
101.02435	0.4
137.09764	0.2
144.24037	0.2
148.94661	0.2
183.24634	0.2
213.08940	0.2
214.22200	0.2
235.08180	0.2
249.18571	0.8
250.18976	0.2
253.09244	0.3
397.13644	1.9
398.13882	0.3
415.14627	0.8
577.76074	0.2
647.33569	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.3247
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92172	0.2
55.68457	0.1
59.01366	0.4
60.99306	16.4
61.98824	0.4
70.63119	0.3
71.01373	0.4
72.99300	0.1
87.00887	1.9
88.00414	3.2
88.01225	0.2
88.98812	100.0
89.02447	17.5
89.99137	1.4
90.02802	0.4
98.19947	0.2
101.02446	0.2
104.14898	0.1
113.02476	0.1
209.82607	0.1
249.18619	0.8
250.18993	0.2
262.72617	0.1
397.13449	1.5
398.13681	0.3
415.14703	0.5
658.10413	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.4082
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99548	0.5
53.00308	1.0
57.51448	0.5
59.01373	6.6
60.42707	0.5
61.98829	2.2
68.99835	0.5
69.03471	0.8
71.01382	82.2
71.58408	0.8
72.01737	1.1
73.02949	1.3
74.68969	0.5
77.77255	0.5
78.95899	0.7
81.03461	0.7
83.01418	0.6
83.05060	0.5
83.20567	0.5
85.02940	1.0
87.00891	1.7
89.02455	1.9
91.37220	0.5
95.01409	0.6
95.05043	1.6
97.02946	0.6
97.06593	5.4
99.00893	2.1
99.08176	1.3
101.02437	3.7
107.05053	0.8
109.06591	2.4
113.02473	1.7
114.90443	0.5
117.07092	1.0
123.04553	1.2
125.06098	18.9
126.06451	0.8
127.07673	1.0
133.06567	1.1
135.08154	4.0
137.06093	0.7
143.07153	42.4
144.07484	1.7
145.05145	0.6
153.05582	7.6
153.09189	1.9
155.07101	0.6
157.08746	0.6
161.04544	1.5
171.06667	1.5
171.10280	0.7
173.08260	2.4
179.05725	0.4
179.07141	8.7
197.08247	3.6
235.08289	3.9
253.09300	9.7
277.21713	100.0
278.22046	10.2
433.17392	0.7
480.42935	0.6
501.65094	0.5
618.69476	0.6
693.40149	1.1
694.38892	0.6
711.40558	0.8
729.40399	5.2
730.40900	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.2102
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	1.7
59.01375	2.9
60.99303	5.1
61.07633	0.3
61.98829	3.0
63.29148	0.3
65.03979	0.8
67.01888	14.1
69.03462	4.2
69.60002	0.7
69.60413	2.3
71.01386	5.9
71.05010	0.5
72.99329	0.6
73.02944	1.4
79.95730	0.9
81.03460	2.5
83.01392	0.6
83.05033	2.7
85.02956	13.0
86.03278	0.5
87.00883	15.8
88.98830	0.4
93.03465	100.0
94.03798	2.9
95.01380	0.4
99.00912	2.1
99.04535	3.7
101.02419	0.7
101.03973	0.4
105.03481	0.5
107.04992	0.5
109.02955	2.5
111.04533	15.6
111.67256	0.4
113.02453	1.7
115.04005	1.1
117.03436	0.5
121.02983	0.4
123.04510	0.4
127.04038	3.1
129.01950	1.8
132.02188	15.0
133.02985	9.9
134.03761	8.0
135.04547	12.8
137.02458	3.2
143.03534	2.9
151.04024	0.6
153.01965	0.5
155.03522	3.9
160.01672	34.3
161.02463	5.3
162.02887	0.3
171.02972	0.9
173.04561	72.0
174.04872	2.5
176.04732	0.7
177.01915	3.5
178.02730	4.0
179.03505	9.8
180.03795	0.6
185.02429	2.7
191.05618	96.7
192.05933	3.2
193.05070	6.5
215.05582	2.2
249.05719	0.5
252.07492	0.5
307.12393	0.4
314.36438	0.4
320.06900	0.5
336.06155	0.4
351.08786	10.2
352.08688	1.2
355.08154	0.7
366.09531	1.0
367.10345	34.3
368.10577	2.8
369.09799	5.6
370.10138	0.5
398.94025	0.4
466.02536	0.4
543.15002	97.1
544.15326	16.6
558.27551	0.4
737.20721	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	727.4284
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05350	1.0
58.57565	0.9
59.01382	14.1
61.98826	4.5
71.01389	3.8
71.64402	2.0
73.02956	2.1
78.95885	0.9
81.03458	1.2
83.01393	2.1
83.05029	10.5
85.02985	1.1
87.00887	3.0
89.02456	3.4
101.02438	4.4
109.06607	1.0
113.02424	1.7
115.92802	0.9
119.03574	0.9
127.11308	1.5
135.08174	3.7
137.09712	1.3
161.04491	1.6
181.08714	63.2
182.09082	4.8
199.09776	4.1
199.13397	45.9
200.13777	1.8
235.08107	5.0
249.18568	26.5
250.18965	2.8
253.09283	13.2
277.21719	100.0
278.22083	9.3
388.66312	1.0
431.31210	2.1
435.22348	2.0
436.61856	1.0
455.01691	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.4133
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98440	0.9
53.18995	0.8
55.01867	1.3
58.00600	1.4
59.01374	27.9
61.98834	1.1
69.83714	0.9
71.01380	24.1
72.99320	1.9
73.02940	3.4
78.95884	0.9
83.01392	2.1
85.02946	6.9
87.00877	3.9
87.62965	0.9
89.02445	18.9
91.28856	0.9
95.01395	1.3
95.43282	0.8
96.24507	0.9
97.02953	3.7
99.00895	1.3
101.02451	19.0
113.02462	9.6
119.03510	5.5
125.02435	6.0
130.31897	0.9
139.03946	1.0
141.09232	1.5
143.03444	2.5
152.99481	1.1
161.04535	4.2
169.12282	0.9
171.10228	1.0
179.05640	4.0
235.08205	9.2
236.08620	1.1
245.06828	1.0
253.09377	1.5
269.24835	68.1
270.25119	7.5
277.21729	6.8
287.07684	3.1
305.08649	2.4
347.40240	0.9
397.13507	100.0
398.13773	8.8
398.78928	1.0
415.14587	27.8
416.14874	3.4
468.14313	2.1
481.14789	2.2
482.15259	7.3
483.15674	3.3
496.17032	1.7
498.18167	1.8
514.14935	1.3
515.15198	2.9
516.15381	1.1
540.16089	1.2
541.16571	1.9
555.19055	2.3
556.19153	14.8
557.19061	4.1
573.15686	2.6
574.15875	1.9
588.17395	1.1
628.21783	1.4
642.22479	7.6
643.23096	5.1
667.39227	5.4
675.22791	8.7
676.22614	3.0
683.25958	5.8
727.42926	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	727.2415
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01395	2.1
61.98829	5.8
69.76347	3.3
75.00880	0.4
78.95901	0.6
89.03986	1.6
97.27061	0.5
106.04253	0.5
107.05071	0.6
117.03472	4.5
118.32661	0.4
119.05040	1.7
121.02973	2.0
132.02185	5.3
133.03003	3.7
134.03757	97.4
135.04135	3.6
136.01675	2.2
137.02464	8.3
139.04036	2.6
145.03047	0.5
147.04578	1.1
149.02428	0.4
149.06091	19.7
149.07277	1.0
150.03239	1.5
150.06375	0.8
152.99640	0.6
153.05608	1.0
160.01671	15.6
161.02316	1.3
162.03233	1.8
163.04016	0.9
171.10382	0.6
175.04021	28.3
176.04457	1.6
177.05579	1.3
178.02725	29.0
179.03416	3.5
191.07088	0.8
192.04285	3.2
193.05072	100.0
194.05399	4.4
197.58545	0.5
207.06624	2.2
236.45459	0.5
309.01593	0.4
341.10315	0.6
352.34033	0.5
353.10226	0.9
366.75378	0.4
371.11319	2.8
372.11520	0.6
395.11279	0.8
409.13065	0.6
455.88245	0.5
501.15640	1.9
515.16998	0.7
551.19165	7.2
552.19641	1.1
585.19183	0.5
727.24115	20.0
727.37500	1.0
728.24377	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	727.2412
Annotation	Unknow
Peak:m/z	Relative Intensity
54.75285	0.1
59.01369	0.6
61.52472	0.1
61.98820	1.2
62.69995	0.1
66.58698	0.1
69.93519	0.8
73.50728	0.1
74.51806	0.1
78.91892	0.5
89.03976	1.7
89.83706	0.1
93.03470	0.7
94.20713	0.1
97.06575	0.2
98.19934	0.3
105.03431	0.3
106.04264	0.7
107.05045	0.2
108.02174	0.2
109.02974	0.4
111.00854	0.2
116.92926	0.1
117.03477	4.6
119.05034	2.0
121.02962	1.5
123.04560	0.2
132.02187	5.6
133.02989	3.8
134.03758	100.0
135.04152	3.5
136.01682	2.1
137.02466	8.1
138.02805	0.4
139.04030	2.7
146.03734	0.6
147.04538	1.9
149.02435	0.6
149.06099	17.9
150.03249	1.4
150.06421	0.8
151.04056	0.7
153.05585	0.9
159.18300	0.1
160.01674	15.0
161.02425	1.3
161.06084	0.3
162.03215	1.8
163.04036	1.2
164.04741	0.4
165.01918	0.2
165.05537	0.5
175.04016	26.2
176.04382	1.6
177.01901	0.2
177.05550	1.2
178.02725	28.6
179.03430	3.6
179.07201	0.4
184.96080	0.2
191.07156	0.5
192.04289	2.9
193.05066	98.2
194.05412	4.7
203.07001	0.2
207.06641	1.7
209.11954	0.2
253.09288	0.2
265.54575	0.1
293.21057	0.3
309.11270	0.3
327.12396	0.4
341.10190	0.3
353.10327	0.8
354.10486	0.2
355.12137	0.2
371.11356	2.3
372.11829	0.2
381.13342	0.2
395.11276	0.4
409.13071	0.4
425.83072	0.2
501.15472	1.3
502.15918	0.2
503.17361	0.2
515.17041	0.5
516.17505	0.3
519.16296	0.4
533.18109	0.6
551.10620	0.4
551.19177	6.4
552.19550	1.4
621.98871	0.2
727.24109	19.3
728.24445	5.1
728.34619	0.1
728.37848	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.0828
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	0.3
66.29563	0.2
69.42393	2.0
95.09953	0.2
96.96029	0.2
98.14697	0.2
98.19843	0.4
99.92592	8.4
100.92600	0.4
106.84351	0.2
107.34181	0.3
114.93425	0.4
116.04451	0.2
116.92873	100.0
117.49487	0.2
117.92881	5.9
151.00363	0.8
178.99867	0.3
214.70282	0.2
243.03047	0.4
255.03052	1.2
271.02469	3.5
272.03110	0.5
300.02759	7.1
301.03491	3.4
302.03940	0.2
361.16565	0.5
447.91135	0.2
609.14758	12.8
610.15173	2.0
673.05408	0.4
709.07800	0.8
710.08099	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.2108
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.4
56.73135	0.2
57.03450	1.2
58.00602	0.6
59.01074	0.5
59.01377	9.5
67.01883	0.8
67.04271	0.2
68.99815	1.1
69.03448	0.8
71.01383	11.0
72.99316	2.4
73.02946	1.3
75.00875	10.0
75.01311	0.4
81.03459	0.7
83.01385	1.2
83.05013	0.3
84.02150	0.3
85.02956	11.2
87.00878	3.4
89.02451	4.0
91.04023	0.5
93.03471	11.5
94.03799	0.3
95.01392	3.0
97.02985	0.5
98.19935	0.5
99.00890	5.8
101.02444	1.5
103.00380	0.7
105.03487	0.3
107.05055	0.3
109.02968	0.7
111.00894	0.6
111.04532	0.6
112.01630	0.3
113.02464	13.7
115.00393	1.3
115.04004	0.4
117.01943	1.8
119.03506	0.7
120.81962	0.3
121.02969	50.2
122.03266	1.8
123.04516	0.3
125.02448	0.3
127.00371	0.4
129.01935	0.8
130.08731	0.5
137.02469	0.3
143.03502	0.3
149.02464	3.4
149.04384	0.2
149.06128	1.1
157.01433	0.7
161.04552	0.3
163.04030	0.3
164.04716	0.5
165.05592	1.5
175.02545	1.2
179.05597	0.7
179.07159	0.6
189.00452	0.5
189.04008	0.5
191.05666	0.9
193.05060	21.2
194.05385	1.3
203.05615	0.3
208.03769	2.0
209.04538	0.4
209.07915	0.2
226.18820	0.2
231.05116	3.2
232.05365	0.2
235.06093	0.5
249.06151	31.5
250.06570	1.6
297.09836	0.6
337.15042	0.4
338.15326	0.3
341.10925	3.6
346.14371	0.3
349.05936	0.3
353.08752	0.6
355.10336	12.5
356.10602	1.1
361.16602	3.1
371.09836	100.0
372.10190	9.7
372.20407	0.3
576.70679	0.3
667.24890	0.3
685.27008	0.6
696.26849	0.3
727.27979	0.8
728.28961	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.3039
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	0.3
59.01377	0.9
60.99301	0.9
64.94077	0.1
65.03959	0.1
65.16028	0.1
67.01888	2.8
69.03456	0.8
70.23721	0.2
70.24118	0.2
71.01382	1.2
73.02960	0.3
81.03464	0.7
83.01378	0.1
83.05013	0.6
85.02953	4.0
87.00880	4.9
89.00713	0.1
93.03464	18.7
94.03794	0.6
99.00887	0.4
99.04521	0.4
99.92519	0.1
101.02474	0.2
109.02957	0.5
111.04533	3.0
112.04878	0.1
113.02448	0.4
115.04025	0.2
117.03472	0.3
119.05035	5.3
120.05350	0.3
125.02450	0.1
127.04037	1.1
129.01947	0.6
137.02463	0.3
143.03528	0.3
145.02965	1.3
153.01985	0.2
155.03534	0.8
163.04018	6.2
164.04376	0.4
171.03009	0.3
173.04552	5.6
174.04886	0.3
176.01149	0.1
177.01952	0.9
189.00461	0.2
191.05615	100.0
192.05956	4.0
221.86948	0.1
337.09262	37.2
338.09601	3.2
339.07034	0.5
387.16745	0.5
387.21347	0.1
402.92285	0.1
537.49054	0.1
658.75012	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	725.3044
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	0.3
59.01376	3.1
60.99305	0.2
62.92249	0.2
63.66759	0.1
67.01874	0.3
69.56097	0.8
69.56502	0.3
71.01392	1.2
71.71776	0.1
73.02953	0.6
78.95933	0.4
79.95692	0.2
80.15987	0.1
81.03492	0.2
83.01406	0.4
83.05042	0.3
85.02956	5.0
87.00883	1.4
89.02451	0.4
93.03461	3.4
96.96024	1.7
96.96977	0.6
97.29433	0.1
98.19910	0.3
99.00862	0.3
99.04526	0.2
101.02451	0.6
109.02976	0.4
111.04533	0.9
113.02466	0.4
119.05028	0.8
127.00392	0.8
127.04018	1.4
135.90158	0.2
145.02989	0.8
145.04002	0.2
163.03981	1.3
171.02980	0.3
173.04556	1.4
189.00438	1.0
191.05620	100.0
192.05965	4.5
192.07726	0.2
193.06174	0.2
329.13889	0.2
337.09280	27.0
338.09665	2.7
347.16901	0.3
695.25446	0.3
725.26636	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.2373
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.9
55.74952	0.3
57.03455	0.8
57.29153	0.3
58.00599	0.9
59.01380	100.0
60.01721	1.5
67.01894	0.4
68.99822	0.5
69.03449	0.4
71.01386	88.1
71.68872	0.6
72.01723	1.6
72.17081	0.4
72.58674	0.4
72.99316	1.0
73.02951	21.0
74.03275	0.6
75.00874	0.5
79.05529	0.5
80.02757	0.4
81.03455	0.5
83.01399	6.6
83.05038	1.8
85.02965	4.5
87.00887	1.3
87.73669	0.3
89.02439	2.1
93.03468	1.2
95.01417	0.7
95.05043	1.0
96.96027	0.7
97.02969	1.5
97.06597	0.7
99.00906	3.9
99.04512	0.5
101.02456	14.4
107.05000	0.4
108.02201	0.9
109.02972	0.9
109.06620	0.9
111.04543	0.9
113.02460	3.1
113.06097	4.2
115.00390	1.7
115.04126	0.3
115.44441	0.3
116.92819	0.4
119.03519	1.5
119.05064	0.4
121.02989	0.6
121.06608	1.2
123.04543	1.7
123.08173	0.5
124.01676	2.6
124.57651	0.3
125.06107	1.3
127.00407	1.3
131.03539	0.5
133.01451	6.7
133.06596	0.4
134.03741	0.8
135.04544	2.1
136.61665	0.3
137.06128	0.9
139.07666	1.1
143.03532	1.0
146.03677	0.4
149.06116	1.1
149.31641	0.3
151.07681	2.3
153.05609	0.9
155.07156	0.8
161.04610	3.4
161.05948	0.7
167.07121	2.6
173.08139	0.7
177.01987	0.9
177.05724	0.3
179.03528	1.6
179.05748	0.5
179.07166	1.5
189.00455	1.3
191.05687	3.6
192.06042	0.4
193.05040	0.9
197.08232	2.2
197.46492	0.3
199.09727	0.4
207.01311	0.4
239.09172	0.5
250.19919	0.4
257.10373	2.0
273.04315	0.3
275.11353	45.8
276.11755	3.1
280.95050	0.3
283.02557	0.6
287.11133	0.4
311.01785	0.4
312.02914	0.4
316.82166	0.3
317.12479	3.3
339.04999	0.4
340.05545	0.6
341.06073	0.5
349.23166	0.3
361.14987	3.3
427.10315	0.6
521.53009	0.3
532.89502	0.3
564.39349	0.3
592.73798	0.4
621.14795	0.9
634.48975	0.3
668.88586	0.4
701.11945	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.3463
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44540	0.3
59.01381	2.0
59.34384	0.3
61.98825	0.7
66.52142	0.3
71.01388	1.3
71.71533	0.5
72.99308	2.3
73.02946	0.7
75.00877	100.0
76.01209	1.3
89.02460	0.9
91.88029	0.3
95.73325	0.3
101.02460	1.1
109.92928	0.3
113.02449	0.6
119.03506	0.3
120.92821	0.3
125.02517	0.5
127.00358	0.4
130.80472	0.3
143.03510	0.4
161.04509	0.4
189.00345	0.5
235.08228	0.4
249.18611	3.3
250.18857	0.4
253.09380	0.6
256.22278	0.4
397.13568	6.7
398.13885	0.6
415.14670	2.3
416.14246	0.4
647.32898	0.5
723.37585	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.2038
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	7.1
61.98832	1.3
66.13117	0.4
69.83079	2.9
71.01382	3.5
73.28303	0.4
81.17419	0.5
85.02980	0.8
87.00891	0.6
89.02448	7.4
98.20613	0.9
101.02457	3.2
113.02426	1.9
119.03537	3.0
143.03494	0.9
157.27243	0.5
161.04532	0.8
179.05620	3.2
179.07144	0.5
197.02245	0.7
199.82732	0.5
215.03230	4.7
307.87576	0.5
321.44174	0.5
341.10904	19.3
342.11270	1.5
377.08569	100.0
378.08969	7.0
416.39838	0.5
494.24750	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.1583
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	2.4
57.03446	6.4
59.01377	4.0
61.98831	3.6
63.95718	0.4
65.46896	0.3
71.01379	6.4
72.99297	0.4
73.02950	45.4
74.03294	1.1
75.00893	0.8
83.01390	30.8
84.01749	0.8
85.02959	0.8
87.00879	2.4
88.98798	0.5
89.02466	1.5
96.96023	0.4
97.81658	0.3
99.00890	31.4
101.02460	4.7
113.02462	1.3
117.01957	0.9
119.03537	0.4
125.02538	0.4
127.00388	79.2
128.00714	2.4
133.02966	1.1
134.03748	0.4
142.99898	4.7
145.01471	1.6
161.04610	0.7
167.10794	1.2
170.99394	1.8
171.10240	0.9
189.00417	100.0
190.00760	3.1
212.47363	0.4
229.29071	0.3
247.17105	0.6
265.18060	10.8
266.18323	0.4
383.29993	0.4
397.13538	4.7
408.90109	0.4
415.14716	3.5
430.87057	0.4
513.91980	0.4
663.32257	1.0
679.35492	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	723.1586
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08524	0.2
52.49059	0.2
55.01880	1.5
55.24354	0.3
57.03447	7.4
59.01375	2.0
61.98832	4.3
70.84485	0.5
70.84827	0.5
71.01380	4.7
72.99297	0.6
73.02950	45.3
74.03301	0.8
75.00874	0.9
83.01391	29.6
84.01730	0.9
87.00880	2.8
88.98874	0.4
99.00892	30.3
100.01270	0.6
101.02454	2.9
112.98860	0.3
113.02395	0.3
117.01939	1.2
119.05032	0.4
127.00391	75.2
128.00742	2.4
129.01869	0.3
133.02985	1.1
134.03809	0.4
134.76424	0.3
142.99895	5.6
145.01437	1.3
163.04114	0.3
170.99387	1.8
177.01950	0.5
189.00418	100.0
190.00751	3.5
195.14091	0.5
207.10265	0.5
209.11905	0.6
225.11311	0.4
265.17941	0.4
330.54578	0.3
369.09738	0.4
375.98862	0.3
663.35809	0.3
690.34454	1.0
691.34839	0.6
723.36389	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.1797
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.2
57.03448	0.4
58.00595	0.3
59.01379	14.2
60.01709	0.2
61.98835	2.6
69.03472	0.3
70.62077	0.2
71.01389	5.1
71.15011	0.6
73.02952	2.2
75.00910	0.2
77.03994	0.2
79.68913	0.2
83.01408	1.1
85.02953	1.7
87.00906	0.5
87.99914	0.2
89.02438	1.1
93.03426	0.3
95.48779	0.2
97.02971	0.5
99.00903	0.7
101.02457	3.6
106.14204	0.2
113.02470	2.9
116.92799	0.3
117.38889	0.2
118.98074	0.4
119.03481	0.3
121.02973	100.0
122.03306	4.1
123.04491	0.3
125.02464	1.3
127.00381	0.4
131.03473	0.3
143.03517	1.3
161.04639	1.3
165.15562	0.3
179.05556	0.3
182.91922	0.2
189.00418	0.6
203.05594	0.3
203.15367	0.2
221.06726	0.6
263.07687	0.3
283.08179	1.2
285.12570	0.3
286.12613	0.2
287.07870	0.3
299.02023	0.6
323.84360	0.2
325.09317	3.7
326.09671	0.4
365.11191	0.4
407.11984	0.3
409.11337	0.2
427.12384	1.0
429.13916	0.3
455.13712	0.2
471.14972	0.8
472.15500	0.2
513.16187	0.2
515.94318	0.2
528.77618	0.2
533.16577	3.2
534.16669	0.5
551.17645	3.9
552.17358	0.3
575.17969	1.3
576.17944	0.4
593.18781	14.0
594.19141	3.0
608.14026	0.4
616.28461	0.5
635.19922	3.8
636.20569	0.9
723.37329	0.4
734.22748	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.373
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.3
61.98830	100.0
62.98541	0.2
62.99253	0.1
69.68683	0.1
69.69085	0.3
71.01403	0.2
82.51477	0.1
87.00932	0.1
89.02462	0.2
101.02473	0.2
102.02792	0.1
113.02441	0.1
119.03545	0.1
125.02420	0.1
133.74403	0.1
170.90149	0.0
255.23335	0.3
256.23596	0.3
257.23965	0.2
264.29523	0.0
365.31903	0.1
397.13510	0.2
398.14108	0.3
399.13974	0.5
400.14108	0.3
417.14902	0.1
418.15338	0.1
486.12415	0.1
555.14984	0.1
694.44513	0.1
717.23840	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	716.3728
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.3
61.98829	100.0
62.98534	0.2
71.01398	0.2
85.02984	0.1
89.02457	0.2
101.02476	0.1
102.02778	0.1
113.02469	0.1
119.03531	0.0
125.02472	0.1
136.29025	0.0
179.05713	0.0
186.53316	0.0
191.29272	0.0
235.08322	0.1
238.56480	0.0
255.23236	0.2
256.23602	0.4
257.23871	0.2
397.13602	0.1
398.13696	0.4
399.14044	0.4
400.14417	0.2
415.15039	0.0
416.14783	0.1
417.15250	0.1
675.84357	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	717.2627
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95059	0.5
55.01871	0.6
57.03456	1.0
59.01377	93.9
60.01709	1.0
61.98825	1.7
71.01383	9.5
71.31911	1.0
71.32248	0.5
72.99302	0.6
73.02953	4.6
78.08645	0.5
82.84812	0.5
83.01408	1.9
85.02959	4.6
87.00861	0.9
88.98810	0.6
89.02435	0.7
95.01385	0.9
99.00881	1.3
101.02454	7.9
113.02456	3.8
125.02394	0.6
127.00347	0.5
135.08136	0.7
137.09732	4.8
155.10791	95.5
156.11136	3.8
157.11873	0.4
159.03015	0.8
161.04585	4.0
163.52968	0.4
179.05695	0.7
191.05649	0.9
199.09760	56.5
200.10056	3.4
211.80334	0.4
227.88124	0.4
269.10275	9.9
311.11322	7.2
331.89545	0.5
361.15012	100.0
362.15378	9.5
486.36081	0.5
585.04095	0.6
591.26550	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	714.3597
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26091	0.1
57.29790	0.1
59.01381	0.4
61.98831	100.0
71.01387	0.3
71.58083	0.2
85.75154	0.2
89.02451	0.2
107.03545	0.1
116.92942	0.3
119.03593	0.2
138.82704	0.1
171.10323	0.3
172.10728	0.2
188.51056	0.1
201.11436	0.1
209.11754	0.2
216.09061	0.2
221.47255	0.1
227.17726	0.2
249.18547	0.3
250.18954	0.2
254.22032	0.2
397.13388	0.3
398.14008	0.3
399.14282	0.2
400.14441	0.2
639.47559	0.2
646.22620	0.2
673.58014	0.2
714.33990	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.13
Annotation	Unknow
Peak:m/z	Relative Intensity
56.32492	0.4
59.01360	0.3
67.36927	0.4
69.52176	3.2
85.02965	0.4
93.03474	1.0
96.96043	0.6
98.11652	0.4
105.03489	0.6
108.02183	1.0
119.05077	1.0
121.02979	0.7
123.04576	1.1
133.02985	1.3
134.03793	0.5
145.02907	0.4
148.01712	0.6
149.02399	1.0
163.04022	1.0
176.01163	10.2
176.02606	0.8
177.01953	100.0
178.02277	5.6
189.00461	0.5
191.05612	2.3
193.05173	0.5
337.09329	0.6
339.07214	65.4
340.07510	5.0
373.11108	0.5
375.04971	1.8
375.16666	0.6
715.23651	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.2471
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	0.4
59.01109	0.4
59.01379	6.2
63.62713	0.3
71.01385	15.2
71.40521	0.6
72.01724	0.4
73.02969	0.4
78.95872	0.3
79.49095	0.3
79.93444	0.3
85.02966	0.6
86.55794	0.3
89.03972	1.1
96.96020	0.4
101.02456	0.4
106.04269	0.3
115.00390	5.2
117.03471	3.9
118.03780	0.4
121.02969	0.4
127.63667	0.3
133.01468	0.7
133.02945	0.4
134.03760	56.2
134.81717	0.4
135.04071	2.7
137.02443	1.3
139.04059	0.5
139.11322	5.2
142.57600	0.3
149.06108	6.2
150.06393	0.5
178.02724	4.8
181.12357	2.7
183.10295	7.4
184.10593	0.5
185.96271	0.3
189.00481	0.4
191.05582	0.9
193.05066	100.0
194.05409	6.5
199.13397	1.8
213.39619	0.3
225.11322	3.2
226.11679	0.4
243.12370	11.2
244.12886	0.8
281.89951	0.3
309.06168	4.4
365.18124	1.0
405.17654	38.4
406.17969	4.9
493.21344	0.4
530.67761	0.4
561.31207	0.4
562.24811	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.3979
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.4
57.03442	1.2
58.00594	0.5
59.01380	7.1
61.98832	4.9
69.03482	0.5
71.01383	6.4
71.05032	2.3
71.69979	0.5
72.99336	0.4
73.02950	0.9
81.03446	0.4
83.01370	0.5
83.05042	1.1
85.02948	1.6
87.00868	0.6
89.02458	2.6
95.01382	0.7
95.05056	0.5
97.02966	4.4
97.06599	2.3
99.00888	18.6
100.01233	0.4
101.02457	3.3
108.90186	1.0
109.02976	0.3
109.06594	1.8
110.03760	0.6
113.02441	2.0
119.03531	0.9
123.08208	1.0
125.02374	0.4
125.09737	7.4
126.10117	0.4
127.11303	0.7
135.08154	0.9
136.05313	0.6
142.02734	1.3
144.80365	0.3
146.10677	0.3
151.11288	0.7
153.12881	0.6
155.14435	0.4
161.04562	0.9
161.09593	0.4
163.11313	10.0
164.11623	0.4
171.10286	5.2
172.10660	0.5
179.05586	0.8
179.10779	0.7
181.12355	18.0
182.12640	1.2
197.11790	2.3
199.13403	13.9
200.13708	0.5
201.11374	1.3
207.10268	33.0
208.10716	2.5
225.11327	51.4
226.11665	3.0
235.08223	0.9
243.12367	25.6
244.12775	1.7
249.18590	20.8
250.18913	2.5
253.09335	3.7
317.16086	0.7
386.58502	0.4
443.19400	0.6
461.20215	4.1
479.21317	9.5
480.21725	0.9
508.62936	0.4
627.21796	0.4
628.52802	0.3
693.38776	1.7
711.39777	100.0
712.40106	24.0
721.39038	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	712.3416
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	0.2
61.98830	100.0
62.98531	0.2
63.41592	0.1
71.01402	0.1
84.53738	0.1
89.02456	0.1
101.02455	0.1
106.99228	0.1
156.34442	0.1
229.31392	0.1
245.14676	0.1
251.20238	0.1
252.20512	0.2
253.20773	0.1
349.59738	0.1
397.13815	0.1
398.13995	0.2
399.14059	0.3
400.14807	0.1
416.15277	0.1
417.15076	0.1
563.47070	0.1
646.19818	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	712.3423
Annotation	Unknow
Peak:m/z	Relative Intensity
57.33646	0.1
59.01377	0.3
59.29755	0.1
59.69566	0.1
61.98829	100.0
62.98532	0.2
63.74862	0.1
71.01402	0.2
71.14656	0.2
71.14992	0.1
89.02444	0.1
101.02454	0.2
116.92878	0.3
131.33203	0.1
181.08702	0.3
209.11847	0.2
221.33470	0.1
251.20250	0.2
252.20541	0.2
277.21796	0.2
293.21207	0.1
391.40421	0.1
397.13269	0.1
399.14130	0.2
400.14392	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.3979
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55728	0.3
55.01889	0.8
57.03432	0.8
59.01377	6.8
61.98822	4.3
71.01384	6.6
71.05031	1.9
73.02953	1.1
81.03462	0.6
83.01396	0.7
83.05078	0.3
85.02964	1.4
87.00874	1.1
89.02458	3.8
93.17747	0.3
95.01408	0.4
95.05033	0.6
97.02954	3.6
97.06602	2.1
99.00890	13.0
101.02451	4.2
109.06617	1.3
113.02473	2.5
119.03519	0.9
123.08183	1.0
125.02443	0.4
125.09738	4.0
127.11308	1.4
135.08179	0.6
136.05331	0.4
142.02737	0.8
143.07121	0.6
150.43913	0.3
152.99629	0.4
153.12856	0.5
155.14365	0.6
161.04567	1.0
163.11301	6.2
164.11674	0.4
171.10275	2.5
175.55336	0.3
179.05527	0.4
179.10750	0.5
181.12352	15.8
182.12727	0.7
189.09354	0.3
197.11841	1.3
197.15399	0.8
199.13406	22.6
200.13779	1.7
205.19661	0.5
207.10271	28.4
208.10579	1.7
225.11319	54.3
226.11668	3.8
243.12355	16.2
244.12689	1.2
249.18585	24.9
250.18903	2.6
253.09190	2.3
277.21759	2.8
278.21887	0.5
281.14185	0.4
300.99112	0.3
317.16089	0.8
415.14624	0.8
443.18839	0.9
461.20255	9.1
462.20569	1.0
479.21347	2.5
480.21814	0.5
503.78094	0.4
534.57904	0.4
570.48029	0.4
693.38434	3.7
694.39331	1.1
711.39764	100.0
712.40076	23.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.398
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	2.4
57.03427	0.5
58.00592	0.4
59.01377	6.7
61.98838	2.2
69.03452	1.2
69.66898	2.4
71.01382	5.3
71.05025	0.9
72.99300	0.4
73.02944	1.5
81.03454	0.5
83.01392	0.9
83.05025	1.0
85.02954	1.3
87.00876	1.6
89.02446	2.0
91.34827	0.3
95.05033	8.7
97.02968	1.6
97.06597	15.9
98.06945	0.4
99.00890	44.1
99.04524	0.5
99.08165	0.5
100.01270	0.5
101.02449	4.0
109.06597	0.6
110.03774	0.7
113.02475	1.8
117.07093	2.2
119.03528	0.5
123.04543	2.3
123.08165	0.5
125.06090	1.1
125.09708	0.7
127.11303	0.9
131.05086	0.3
132.84735	0.3
133.06587	0.9
135.08176	7.7
136.08510	0.7
142.02708	0.8
143.07175	2.2
145.05057	0.8
151.07669	0.6
153.09225	19.1
154.09604	1.1
161.04546	1.3
163.11365	0.5
171.10275	11.4
172.10638	0.7
179.05685	0.5
179.07129	3.5
197.08205	13.6
197.11906	0.6
198.08537	0.8
199.13457	2.6
202.43823	0.3
203.07178	0.6
207.10248	0.8
215.09238	11.1
216.09642	0.5
225.11307	3.2
233.22659	0.3
235.08188	1.3
249.18559	5.7
250.18753	0.4
253.09288	3.0
275.20160	0.4
277.21710	37.8
278.22076	3.7
335.65979	0.3
341.52231	0.4
433.17166	3.3
451.18106	2.9
452.18582	0.4
461.20294	1.0
485.27039	0.3
549.34265	0.4
617.00452	0.3
626.11609	0.3
693.39099	0.8
711.39752	100.0
712.40112	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	711.2162
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01892	0.6
59.01379	100.0
60.01717	1.3
69.60507	4.2
71.01383	7.0
73.02947	2.9
75.32478	0.5
82.62664	0.5
83.01402	2.2
85.02938	3.8
91.77200	0.5
99.00903	1.4
100.03757	0.6
101.02454	6.7
113.02467	4.1
159.02979	1.3
161.04570	3.8
262.51865	0.5
269.10284	10.0
270.10828	0.8
311.11288	5.5
312.11893	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.3807
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.8
58.00587	3.1
58.84113	1.3
59.01379	34.4
61.98835	21.8
63.77361	1.5
70.83112	4.3
71.01389	26.8
71.44716	1.4
72.99312	1.7
73.02953	5.9
83.01379	3.0
85.02964	6.8
87.00890	5.1
89.02456	22.7
95.01389	2.0
97.02958	4.9
99.00889	1.6
101.02460	23.5
101.18739	1.5
108.90205	1.9
111.00843	1.2
111.04550	1.6
113.02463	12.0
119.03530	6.2
125.02441	8.4
143.03490	4.1
161.04579	5.7
163.11320	3.1
171.10281	24.9
172.10587	2.2
179.05667	2.8
181.08794	2.0
189.09396	1.2
197.11842	2.4
201.11340	5.5
207.10263	6.7
209.11954	1.5
221.06688	1.8
225.11339	26.8
226.11716	1.9
235.08220	9.5
249.18587	30.0
250.18893	3.7
253.09195	8.2
253.21712	79.4
254.22081	6.4
287.07974	2.6
293.21451	1.9
305.08630	2.6
323.09979	1.7
338.79510	1.4
397.13507	100.0
398.13937	12.6
415.14557	31.7
461.20224	3.5
475.57361	1.6
489.90891	1.5
649.38141	3.4
651.36139	7.7
693.38226	2.3
711.41119	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	711.3834
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.5
57.03437	0.7
58.00595	1.4
59.01379	29.0
61.98832	4.6
62.26247	0.6
69.03455	1.3
70.02184	3.0
71.01385	25.0
72.99306	1.9
73.02953	6.2
75.03493	0.6
81.03456	1.2
82.45884	0.5
83.01389	3.6
83.05038	0.8
85.02954	5.5
87.00885	5.2
89.02451	23.2
90.02743	0.6
95.01396	1.9
95.05058	0.9
97.02948	3.9
98.19999	0.8
99.00893	1.4
101.02457	20.9
102.02798	0.7
109.06613	1.1
110.03833	0.9
111.00922	0.7
111.04568	0.9
113.02465	10.5
115.66946	0.6
119.03507	6.3
125.02474	8.3
127.11368	0.8
131.03497	1.3
133.05128	0.8
134.03751	0.8
143.03482	3.0
149.04617	0.8
157.16188	0.6
161.04579	7.1
163.11353	0.9
171.10284	35.7
172.10635	2.1
179.05644	4.0
181.08687	1.7
193.05077	0.8
197.11726	0.7
199.09764	1.4
201.11362	1.9
207.10271	5.0
221.06740	1.2
225.11333	16.1
226.11618	0.9
235.08214	9.0
243.12321	1.0
249.18568	23.0
250.18974	1.9
253.09254	8.6
253.21718	73.6
254.22049	6.3
277.21646	4.5
287.07803	2.7
287.67966	0.7
293.21286	1.6
305.08716	2.3
317.91833	0.7
323.10016	0.8
358.15060	0.6
397.13528	100.0
398.13870	8.4
407.19199	1.6
415.14606	32.2
416.14966	2.8
443.19449	0.9
461.20071	4.0
498.08569	0.8
651.35950	5.6
652.36542	1.4
675.36279	1.1
693.38635	1.8
711.33777	5.7
712.34412	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.3981
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52904	0.4
55.01881	2.2
57.03461	0.4
57.95456	0.3
59.01382	6.5
61.98834	3.7
66.01554	0.3
69.03437	1.0
70.19070	1.6
71.01385	5.8
71.05036	1.4
73.02950	1.4
75.00875	0.4
83.01402	0.6
83.05032	0.8
85.02970	1.4
87.00881	1.0
89.02466	2.5
91.99131	0.4
95.05033	4.6
97.02975	1.1
97.06599	9.1
97.74881	0.3
98.93562	0.4
99.00889	28.9
99.08178	1.5
100.01225	0.6
101.02450	3.2
102.20977	0.4
110.03766	0.5
113.02457	1.3
115.41319	0.4
117.07132	2.3
119.03508	0.5
123.04553	3.4
125.02483	0.5
125.06071	0.8
125.09785	0.7
127.11346	0.6
127.71458	0.4
130.62532	0.4
133.05121	0.5
133.06622	0.9
135.08177	7.3
135.09128	0.7
136.08366	0.4
142.02713	1.4
143.07175	1.0
145.05063	0.7
153.09225	18.0
154.09554	0.8
161.04591	1.0
169.08775	0.5
171.10284	10.3
172.10608	0.5
179.05641	0.6
179.07100	3.8
190.97318	0.4
197.08195	18.7
198.08575	1.0
215.09265	5.2
235.08218	2.0
253.09262	3.5
275.20035	0.6
277.21725	58.5
278.22055	6.7
314.16425	0.4
415.16254	0.8
433.17206	1.6
451.18091	1.4
693.38989	3.8
694.39294	0.6
711.39752	100.0
712.40106	25.6
733.21124	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	710.3257
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	0.5
61.98828	100.0
62.98515	0.1
68.91657	0.1
70.86736	0.1
70.87037	0.1
71.01388	0.3
89.02437	0.4
93.30219	0.1
101.02466	0.2
113.02458	0.1
114.02744	0.1
130.36653	0.1
149.86920	0.1
161.04570	0.1
195.12512	0.1
218.74495	0.1
249.18538	0.4
250.18962	0.4
251.19385	0.2
272.91458	0.1
397.13596	0.4
398.13925	0.4
399.13959	0.8
400.14276	0.3
416.14920	0.2
417.15234	0.2
418.15717	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	710.4143
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	2.0
61.98830	100.0
62.16711	0.5
64.66650	0.6
70.92352	1.2
71.01392	0.6
78.92829	0.5
78.95910	4.0
80.03742	0.5
98.81845	0.6
100.45906	0.6
152.99611	4.6
153.99994	0.6
165.59752	0.5
201.11331	0.6
209.11899	0.8
255.23257	3.5
277.21820	2.2
278.22095	0.7
487.66330	0.6
497.98804	0.6
710.39618	1.5
711.40784	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	709.3824
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85530	0.3
55.01873	0.9
56.61179	0.3
57.03235	0.3
57.03454	2.7
59.01107	0.3
59.01377	6.9
59.03293	0.3
61.98832	2.2
64.91779	0.3
69.03458	1.8
69.03773	0.3
71.01389	5.0
71.05013	1.9
71.70335	0.4
72.99315	0.7
73.02948	1.0
81.03452	0.5
83.01401	0.5
85.02959	1.3
87.00895	1.0
89.02449	2.5
93.03476	1.0
95.05044	5.9
97.02936	0.6
97.06606	8.0
99.00883	0.7
99.04532	0.5
101.02459	3.6
107.13898	0.3
109.03001	0.3
109.06592	0.6
111.62982	0.3
113.02462	1.8
115.31225	0.3
119.03550	0.9
121.06628	0.5
123.08179	17.5
124.08487	0.7
125.02470	0.6
125.09743	2.1
133.06618	4.3
141.09222	1.6
143.03555	0.3
151.07674	9.3
152.08014	0.5
161.04555	1.0
162.62341	0.3
169.08720	30.2
170.09093	1.3
177.05611	0.9
178.85495	0.3
195.06650	2.6
195.10268	0.4
198.08759	0.4
213.07686	1.3
233.22859	0.6
235.08212	1.1
249.18498	0.5
253.09206	3.2
277.21713	61.4
278.22064	6.0
311.17151	0.3
419.53979	0.3
431.15521	0.7
449.16772	1.3
653.23163	0.4
709.38232	100.0
710.38586	23.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	710.3261
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	0.2
61.98829	100.0
62.98527	0.2
62.99261	0.1
69.95938	0.0
70.06239	0.1
70.06652	0.1
71.01415	0.1
89.02435	0.1
91.86946	0.0
101.02473	0.1
113.02447	0.0
225.26364	0.0
249.18674	0.1
250.18875	0.2
251.19270	0.1
252.19591	0.0
397.13538	0.1
398.14081	0.1
399.14084	0.2
400.14188	0.1
417.15408	0.1
418.15381	0.0
521.39154	0.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.3155
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	0.8
57.03444	0.6
58.00593	0.3
59.01379	100.0
60.01715	1.0
60.28252	0.1
61.98851	0.2
67.01783	0.1
71.01385	8.7
71.05040	0.1
71.42698	0.1
72.99300	0.4
73.02951	3.3
73.06583	0.2
74.95164	0.1
75.00874	0.2
79.58057	0.1
83.00909	0.3
83.01391	2.1
85.02957	4.8
86.00109	0.1
87.00887	0.6
89.02451	2.7
95.01411	0.6
97.02998	0.3
99.00897	1.5
101.02454	10.7
102.02799	0.3
111.00898	0.2
113.02462	4.1
114.02807	0.2
119.03518	0.9
125.02466	0.3
127.00423	0.2
129.01974	0.3
133.02966	0.2
135.04333	0.1
138.06834	0.3
143.03500	0.7
151.07658	0.3
152.08418	0.4
153.09247	1.5
159.02988	0.6
161.04575	4.5
177.02011	0.2
179.05653	1.2
191.05643	0.5
193.05052	0.5
205.03514	0.1
205.12367	0.7
223.13443	1.0
235.11868	18.2
236.12242	1.1
277.12924	13.0
278.13330	1.0
295.13794	0.1
321.11804	0.8
321.15564	0.3
351.07062	0.3
355.10199	0.2
385.18713	1.4
432.97708	0.2
529.16040	0.1
545.69537	0.1
667.25470	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	707.439
Annotation	Unknow
Peak:m/z	Relative Intensity
56.88993	0.4
59.01377	100.0
59.58646	0.4
60.01714	1.0
61.98828	2.7
69.69889	2.1
69.70309	1.2
71.01392	2.5
73.98405	0.4
78.95901	4.4
80.99107	0.4
80.99583	0.4
85.02962	1.2
89.02459	0.9
96.96972	0.5
98.19991	0.8
101.02477	0.7
109.06618	0.6
111.01043	0.4
113.02483	0.6
119.03571	0.7
135.01669	0.4
136.70882	0.5
146.72650	0.4
152.99606	7.2
163.11316	0.5
171.10310	0.9
181.12346	0.5
199.09872	1.3
199.13559	0.5
207.10303	2.1
225.11253	3.1
226.11667	0.7
253.21819	0.8
277.21710	51.6
278.22134	5.3
335.85699	0.5
369.19098	0.7
379.11841	0.5
387.20212	2.4
407.88464	0.4
453.15488	1.7
471.16248	3.8
659.41815	0.5
689.36584	2.0
707.37610	6.6
708.38806	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.3668
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.1
57.03447	0.9
58.00592	1.2
59.01379	34.0
60.01714	0.3
60.82546	0.4
61.98836	2.3
65.63479	0.4
69.03456	1.4
71.01382	24.5
72.01744	0.4
72.99298	2.6
73.02952	4.4
75.00892	1.0
76.38633	0.4
78.84243	0.3
81.03465	1.1
83.01387	4.0
83.05042	0.4
85.02957	6.3
87.00883	5.1
89.02451	22.7
90.02786	0.7
95.01392	1.7
96.96008	0.4
97.02955	4.3
99.00907	1.7
101.02455	22.1
102.02815	0.5
111.00888	0.5
111.04512	0.9
113.02467	11.0
115.04062	0.5
119.03523	6.9
121.02998	0.4
121.60204	0.3
125.02454	7.3
126.02818	0.5
128.92725	0.4
131.03482	1.3
133.05023	1.0
139.04012	0.6
141.01846	1.0
143.03482	3.0
149.04585	0.6
161.04556	6.4
167.03519	0.6
169.05095	0.8
179.05617	4.0
194.50903	0.4
217.07288	0.5
221.06665	1.4
223.28641	0.5
225.11327	0.4
233.19215	0.7
235.08211	9.8
236.08611	0.4
240.34618	0.4
245.06602	0.5
251.20151	79.6
252.20488	7.2
253.09258	4.8
263.07654	0.6
263.56342	0.3
277.09302	0.4
287.07755	2.3
305.08685	2.6
323.09903	1.2
379.12570	0.6
397.13513	100.0
398.08975	0.7
398.13873	8.3
415.14569	32.1
416.14899	1.6
649.34454	5.8
649.91095	0.5
650.35010	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.382
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	0.6
57.03442	1.0
59.01377	8.5
61.98837	2.1
69.03454	3.3
71.01383	4.9
71.03277	0.5
71.05018	2.1
72.99289	0.6
73.02953	0.9
81.03456	0.4
83.01397	0.6
83.05052	0.7
85.02956	1.5
87.00892	0.8
89.02454	2.9
95.01411	0.6
97.02957	0.5
97.06615	0.7
99.00871	0.5
101.02449	3.8
113.02455	1.6
119.03500	0.8
123.08188	0.9
125.09747	1.7
130.90762	0.2
133.05083	0.3
133.06606	0.3
137.09718	0.4
141.09239	0.4
149.09702	0.3
151.11293	2.1
152.11566	0.3
153.12889	1.7
161.04562	1.1
161.09735	2.7
169.12334	2.0
171.10492	0.3
175.07817	0.2
179.05582	0.4
179.10783	6.1
180.11119	0.4
197.11842	86.9
198.12183	4.5
205.19403	0.2
223.09755	1.6
231.17409	0.5
235.08267	0.7
241.10843	4.5
247.17052	0.3
249.18591	21.0
250.18898	2.2
253.09268	2.5
277.21765	0.9
295.22845	0.3
433.21289	0.3
459.18716	0.8
460.19189	0.3
477.19839	3.0
547.32611	0.4
709.38232	100.0
710.38544	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	707.1999
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	1.5
59.01377	9.8
60.99302	6.1
61.98830	12.8
67.01892	14.1
69.03452	5.0
70.78977	3.3
71.01377	10.5
73.02947	4.7
81.03456	3.0
83.01381	2.0
83.05023	3.7
85.02956	14.9
87.00884	17.6
89.02450	3.9
93.03467	92.1
94.03796	3.5
96.96027	1.6
97.03001	1.3
97.06596	1.0
99.00884	3.5
99.04507	2.9
101.02457	5.1
109.02931	2.4
111.04539	15.1
113.02427	2.8
119.05051	8.0
121.02948	2.7
127.00384	2.4
127.04007	3.1
129.01944	1.5
132.02193	13.3
133.02985	9.5
134.03725	3.2
135.04546	10.7
136.19385	0.9
137.02498	2.1
143.03488	3.5
155.03526	4.4
160.01689	39.5
161.02516	6.6
163.04022	5.1
171.10255	2.0
173.04568	66.1
174.04871	2.9
177.01898	2.9
178.02699	3.3
179.03516	9.3
185.02527	2.1
189.00426	3.1
191.05627	100.0
191.16760	0.9
192.05923	2.6
193.05092	2.9
197.11865	1.2
209.11832	1.3
209.15469	2.0
215.05588	2.0
225.15015	1.8
251.16518	1.1
255.95802	1.0
268.97278	0.8
291.19669	4.1
309.20703	22.6
310.21011	1.0
326.43695	1.0
335.05301	0.9
336.06470	1.1
351.08829	11.6
352.08710	1.2
356.88705	0.8
367.10330	30.5
368.10760	2.2
369.09744	5.2
391.66888	1.0
397.13556	5.4
415.14517	6.9
485.32370	1.8
514.31940	1.0
534.13135	0.8
543.14996	95.8
544.15430	16.6
683.65564	1.0
707.19800	10.2
708.20331	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	703.4447
Annotation	Unknow
Peak:m/z	Relative Intensity
54.90840	0.3
57.03438	1.0
58.00584	1.7
59.01379	9.7
60.01695	0.3
60.18232	0.3
61.98831	2.2
64.57411	0.3
69.03452	0.5
71.01009	0.8
71.01385	12.3
72.99312	0.9
73.00639	0.4
73.02950	9.6
75.00878	2.4
78.95914	0.7
80.68400	0.4
80.96521	1.2
83.01395	1.6
83.05021	1.0
84.02161	0.6
85.02948	3.4
87.00854	0.6
87.04514	0.4
89.02447	3.3
94.25876	0.5
95.01395	0.7
95.05031	0.5
95.06627	0.4
97.06583	1.8
99.00896	0.7
99.08170	0.5
101.02448	5.9
109.06589	0.8
111.08160	1.1
111.64123	0.4
113.02460	9.9
113.06123	0.5
119.03490	2.1
121.10397	0.4
125.02483	0.8
125.06110	2.2
125.09743	0.7
127.07641	1.6
137.09776	0.4
139.07640	2.5
141.09216	0.7
143.03528	0.9
148.08952	0.7
149.09717	0.7
150.10458	0.8
161.04553	2.8
163.11282	0.6
165.12859	16.4
166.13191	1.0
167.10820	0.5
176.11983	0.4
177.09253	1.0
177.16592	0.4
191.14386	0.4
192.06511	0.4
205.19606	0.9
227.18060	2.7
229.19418	0.6
231.17511	1.4
233.19041	0.9
235.20627	1.0
241.16084	0.4
243.17577	0.7
245.16675	0.7
245.19075	11.4
246.19464	1.0
247.20665	8.4
248.21019	0.9
249.18581	69.0
250.18932	6.5
259.16962	0.5
261.18518	0.6
263.20135	37.3
264.20557	3.5
273.18594	11.9
273.21506	0.4
274.18893	1.3
291.19647	100.0
292.20007	10.1
303.19604	2.4
307.19083	0.6
321.20691	4.0
345.20633	1.4
346.53476	0.4
351.21555	0.9
448.62753	0.4
506.82797	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	3.8
60.01711	0.2
61.01817	0.2
61.98831	100.0
62.98540	0.2
70.12428	0.2
82.45173	0.1
88.81796	0.1
93.47419	0.1
98.19970	0.1
208.51254	0.1
235.05968	0.1
240.31708	0.1
438.41428	0.1
440.13620	0.1
441.13171	0.1
469.14301	0.1
482.15546	0.1
483.15042	0.3
484.15475	0.8
485.15796	0.1
497.16931	0.2
498.16968	0.4
500.18839	0.1
516.86078	0.1
542.16235	0.1
543.16779	0.3
555.18567	0.1
556.19031	0.1
557.19049	0.5
558.19135	1.7
559.19543	0.2
574.15875	0.2
575.16003	0.5
589.17761	0.2
612.21039	0.1
639.34802	0.1
642.22815	0.1
643.22919	0.1
644.22925	1.1
645.23755	0.1
704.24518	3.8
705.23578	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.2001
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40515	0.2
54.03273	0.2
59.01377	3.1
60.99310	5.5
61.98832	2.6
65.03964	0.9
67.01891	13.1
69.03452	4.5
71.01391	6.0
71.05040	0.3
71.05496	0.8
72.99311	0.5
73.02945	1.5
78.95877	0.2
81.03463	2.3
81.62872	0.3
83.01398	0.6
83.05035	2.4
85.02956	9.3
87.00885	16.7
89.02454	0.6
93.03467	100.0
94.03812	2.9
95.01404	0.3
96.96027	0.3
97.02952	0.4
99.00878	2.1
99.04521	2.6
101.02448	1.0
101.03972	0.4
105.03461	0.9
108.02149	0.3
109.02985	2.2
111.00882	0.7
111.04533	14.4
112.04881	0.6
113.02457	2.0
115.04025	0.8
117.03474	0.6
119.03487	0.3
121.02985	0.3
123.04527	0.4
125.02415	0.3
127.00424	0.3
127.04040	2.2
129.01987	1.7
130.31715	0.3
131.01320	0.4
131.03371	0.3
132.02191	10.4
133.02982	9.3
133.03723	0.2
134.03775	6.7
135.04546	8.6
136.04886	0.4
137.02443	2.2
139.04005	0.4
143.03516	2.4
143.80670	0.3
146.03754	1.1
149.06065	0.6
151.04170	0.4
153.02054	0.4
155.03508	3.2
159.04504	0.3
160.01672	23.4
161.02458	4.5
161.06073	0.6
171.03020	0.7
171.10231	0.4
173.04559	65.1
174.04890	2.4
177.01955	2.3
178.02722	4.1
179.03503	7.6
180.03853	0.3
185.02469	2.4
186.02818	0.3
189.00291	0.4
191.05620	63.0
192.05945	2.5
193.05048	5.2
197.11836	1.6
207.12570	0.2
215.05569	1.6
282.84433	0.3
291.19656	0.7
306.05255	0.4
309.20697	4.4
321.07635	6.1
322.08051	0.8
325.07132	0.6
339.08728	3.3
340.09070	0.6
351.07245	2.6
366.09698	0.5
367.10336	18.6
368.10629	1.8
397.13373	1.4
415.14444	1.3
441.86261	0.3
513.13989	89.9
514.14362	15.1
514.20660	0.2
543.15302	1.3
707.20178	2.5
708.20197	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	702.373
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	0.2
61.98830	100.0
62.98538	0.2
69.37218	1.1
91.72523	0.1
125.06113	0.3
126.06447	0.1
143.07150	0.5
144.07515	0.2
189.44283	0.1
192.35612	0.1
226.04726	0.1
277.21826	0.3
278.22018	0.5
279.22549	0.3
565.35913	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	702.3731
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89236	0.1
59.01378	0.5
61.98831	100.0
62.32357	0.1
62.98540	0.2
70.14200	0.8
78.95921	0.1
85.79993	0.1
93.77515	0.1
98.20033	0.2
116.82890	0.1
152.99576	0.2
171.10271	1.3
172.10590	0.8
173.10831	0.5
174.11037	0.2
186.69775	0.1
249.18558	0.3
250.18985	0.5
251.19437	0.2
702.25092	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.2487
Annotation	Unknow
Peak:m/z	Relative Intensity
57.25637	0.2
59.01378	100.0
60.01720	0.9
61.98829	1.1
78.72768	0.2
80.54372	0.3
99.47860	0.2
100.74963	0.3
106.19181	0.2
106.98513	0.3
116.52596	0.2
123.30344	0.3
146.17126	0.3
153.28049	0.3
181.77757	0.2
229.35402	0.3
416.24164	0.3
437.12714	0.6
438.13257	3.9
439.13809	1.0
451.14227	0.9
452.14938	1.6
453.15588	0.4
455.10275	0.5
466.13046	0.4
467.13361	0.6
470.11938	0.5
480.14410	1.1
481.15179	28.7
482.15512	8.6
483.16104	0.3
495.16718	10.7
496.17160	3.4
497.18451	4.9
498.18503	1.1
514.14996	1.9
523.16162	0.7
525.14374	0.8
526.14600	0.4
539.15723	2.2
540.16425	8.0
541.16748	2.0
551.18805	0.4
553.17322	0.8
554.18085	2.3
555.18903	47.9
556.19183	12.7
567.18945	1.2
568.18665	0.5
572.15552	14.9
573.15698	4.1
586.16986	5.4
587.17590	1.3
609.19702	1.1
610.21191	0.4
627.20898	1.4
641.22656	23.6
642.22931	7.6
658.19080	0.5
701.24854	64.0
702.25092	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	699.398
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17009	0.2
58.00608	0.2
59.01377	16.1
60.01733	0.1
61.98822	0.6
71.01395	1.4
71.72416	0.1
71.72848	0.2
73.02958	0.3
78.95908	0.2
80.96553	0.2
83.01402	0.3
83.05038	0.2
85.02969	0.4
89.02454	1.1
101.02460	1.3
112.47512	0.2
113.02445	0.8
116.92884	0.7
117.92893	0.3
118.92677	0.2
119.03528	0.4
125.06107	0.3
125.09734	0.6
127.11304	1.5
139.94528	0.2
143.07120	0.6
153.09290	0.3
161.04565	0.8
171.10280	100.0
172.10616	5.2
173.82979	0.1
179.05641	0.4
181.95023	0.2
205.19682	0.2
209.11891	0.2
231.17540	0.4
235.08205	1.7
249.18575	45.0
250.18948	3.8
253.09270	5.4
254.09660	0.4
277.21683	0.8
407.19214	3.5
408.19446	0.4
433.11188	0.2
471.15231	0.2
485.27405	0.6
507.94409	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.1434
Annotation	Unknow
Peak:m/z	Relative Intensity
55.41501	0.3
59.01369	0.5
60.99308	1.6
61.13071	0.3
63.02397	0.5
65.00328	0.7
71.60866	0.4
76.73785	0.3
83.01395	0.7
88.98811	4.6
92.05374	0.3
93.03461	0.5
107.01427	1.9
108.02197	0.7
109.02958	1.0
116.40376	0.3
121.02951	1.0
128.31084	0.3
135.00902	0.4
148.01680	1.1
150.99202	0.6
151.00389	8.1
152.00902	0.3
159.04544	0.3
163.00404	1.7
169.01463	0.4
178.99861	4.5
187.04007	0.6
192.00708	0.3
199.03908	0.4
203.03426	0.4
211.04015	1.0
215.03653	0.5
226.02737	0.7
227.03578	1.9
227.05431	0.3
229.04932	0.4
243.02986	6.4
245.04552	0.5
254.02164	1.2
255.00208	0.4
255.02974	16.2
256.03262	1.5
271.02454	39.0
272.02841	3.9
273.03903	0.7
283.02502	0.8
299.01901	0.6
300.02744	78.7
301.03442	33.5
302.03839	2.8
333.20154	0.3
343.04410	0.4
344.05176	0.4
495.24307	0.3
578.33966	0.3
595.47552	0.4
609.14734	100.0
610.15039	18.5
611.17468	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.3982
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86273	0.2
51.31953	0.2
59.01379	24.1
60.01718	0.4
60.99294	0.3
61.98828	0.4
69.03455	0.6
69.53140	1.9
71.01379	2.3
73.02967	0.5
78.70148	0.3
85.02954	0.6
85.49456	0.3
87.00858	0.4
89.02444	1.6
95.05055	0.8
97.06598	4.6
98.19904	0.4
99.08147	1.3
101.02454	2.0
113.02453	1.1
119.03529	0.5
125.06100	41.9
126.06452	1.4
131.72650	0.2
143.07156	90.5
144.07494	3.7
145.05092	0.5
161.04576	0.9
179.05643	0.5
188.52382	0.3
190.74409	0.3
233.22813	0.3
235.08238	3.3
253.09297	9.6
254.09531	0.4
255.23347	0.3
275.20212	0.4
277.21719	100.0
278.22076	10.8
289.68820	0.3
361.15121	0.6
375.85309	0.2
408.39273	0.3
446.53024	0.3
513.30725	1.0
538.71924	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.2376
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	1.0
59.01378	2.2
61.98817	0.2
65.00333	0.4
67.01871	0.1
69.81247	0.7
69.81660	0.3
71.01371	0.3
73.02963	0.2
76.31248	0.1
79.05564	0.2
81.03465	0.5
83.01400	0.2
85.02951	0.2
87.00932	0.1
93.03469	0.9
95.84142	0.1
101.02433	0.3
102.85258	0.1
105.03460	0.8
105.07109	0.7
107.01402	1.6
107.05036	0.4
113.02499	0.1
119.05125	0.1
121.02966	1.2
123.04539	0.5
131.05055	0.2
134.03738	0.4
140.88614	0.1
147.04550	0.2
149.02452	15.9
149.06094	6.3
150.02769	0.8
151.04022	0.6
162.03189	0.3
163.04024	0.6
164.04797	0.4
165.05537	0.1
167.03471	0.3
175.04045	0.7
176.48192	0.1
177.05511	0.2
179.07156	3.6
180.07486	0.2
191.03616	0.9
191.05621	0.7
192.04285	0.7
193.05060	100.0
194.05397	6.1
205.05074	0.1
217.05064	0.7
235.06120	2.5
235.11795	0.3
236.06602	0.2
255.08873	0.7
277.13086	0.2
329.08743	0.2
341.12808	0.7
355.10324	75.2
356.10669	7.9
356.15167	0.3
367.10443	0.3
375.16650	0.2
437.02188	0.1
446.57346	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	693.3359
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	1.2
59.01377	8.9
61.98818	2.9
69.03452	1.1
69.74136	4.0
70.20599	0.6
71.01384	4.7
71.05016	1.5
73.02927	1.6
81.03464	1.2
83.01379	1.3
83.05030	4.9
84.02183	0.9
85.02962	1.1
86.90877	0.6
87.00860	0.9
88.98856	0.9
89.02451	2.9
95.05039	1.9
96.95999	0.7
97.02948	2.1
97.06583	4.1
99.00889	19.3
100.35590	0.6
101.02467	3.0
109.06607	1.4
113.02434	1.4
113.59566	0.6
118.35577	0.7
119.03523	1.2
124.76742	0.6
125.02453	0.6
125.09766	4.0
127.00362	1.4
135.08174	4.3
145.94910	0.6
153.09187	5.2
158.53557	0.7
163.11305	5.8
165.12749	0.8
171.10252	1.8
179.07172	0.8
181.08723	8.1
181.12335	10.7
189.00400	1.8
190.67680	0.6
197.08170	3.3
199.13425	7.3
200.13744	0.8
207.10262	17.4
209.11835	14.2
210.12155	1.4
215.09196	2.8
225.11325	21.6
226.11757	1.5
241.94000	0.6
243.12360	20.0
244.12619	1.5
253.09265	1.8
272.46259	0.8
358.60001	0.7
461.20331	0.8
479.21429	6.1
480.22113	1.3
643.29675	2.5
661.30859	100.0
662.31165	20.1
693.33618	9.3
694.33484	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.4032
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.3
57.03440	0.3
58.00606	0.2
59.01379	12.2
61.83229	0.1
61.98825	0.4
69.03460	0.2
71.01382	3.7
71.58656	0.2
72.99315	0.2
73.02946	1.0
75.00883	0.1
80.02687	0.4
81.03469	1.1
83.01394	2.0
83.05032	11.4
84.02185	0.4
84.05322	0.2
85.02959	1.2
86.00098	0.2
87.00869	0.8
89.02450	2.2
91.03995	0.1
95.01380	0.2
95.05029	0.3
97.02939	0.2
97.06593	1.1
99.00874	0.3
99.04514	0.2
101.02451	3.3
103.04028	0.2
107.05058	0.2
109.06607	1.7
111.08198	0.1
113.02472	1.8
116.92879	0.4
119.03504	0.8
119.08615	0.3
121.06622	0.2
125.02453	0.2
127.07663	0.2
131.03526	0.1
133.05069	0.3
133.06616	0.1
135.08179	3.7
137.09746	1.6
143.03497	0.5
145.05069	0.7
161.04578	1.4
163.07669	1.5
165.12854	0.5
171.10280	0.1
179.05646	0.3
181.08716	64.9
182.09050	3.6
183.13908	6.7
183.15585	0.2
184.14229	0.4
199.09773	4.6
200.10103	0.3
205.19762	0.2
209.11783	0.4
225.11229	0.2
227.12817	0.7
233.22798	0.3
235.08226	4.5
236.08417	0.3
249.18570	2.3
250.19044	0.2
253.09276	10.6
254.09708	0.7
259.20575	0.4
275.20145	0.1
277.21710	100.0
278.22055	11.0
376.58881	0.1
417.17609	0.3
445.20761	0.1
463.21609	0.6
488.86850	0.1
505.11554	0.2
513.30432	0.4
579.47705	0.1
695.40271	5.4
696.40454	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.2641
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43810	0.2
55.01882	0.6
57.03448	0.5
58.00596	1.6
59.01379	31.9
60.01711	0.5
67.01900	0.5
71.01385	21.6
71.66039	0.5
72.01712	0.3
72.99303	2.0
73.02957	0.7
75.00888	0.3
81.03448	0.3
83.01402	1.1
83.05037	0.4
85.02953	8.1
87.00882	2.0
89.02453	22.7
89.57697	0.3
90.02801	0.5
93.03468	4.7
95.01398	1.7
99.00892	0.5
101.02456	15.1
109.02978	0.7
111.04533	1.0
113.02457	8.5
113.09740	0.5
119.03517	9.9
119.05025	0.8
127.00446	0.3
127.04028	1.2
127.04892	0.3
128.00679	0.3
129.01987	0.4
131.03522	0.8
133.02965	2.4
135.04541	2.1
143.03511	1.0
145.02954	0.3
149.02435	1.1
149.04512	0.6
157.08772	0.5
161.04553	0.5
163.04050	1.4
173.04607	2.2
175.09746	0.5
177.01923	0.7
179.05650	0.9
189.00471	0.5
191.05624	76.1
192.05962	3.4
193.05063	5.3
215.05629	1.0
219.10654	0.3
273.61575	0.3
283.10626	0.3
307.13980	0.8
334.16141	0.3
337.09256	17.4
337.15042	100.0
338.09662	1.7
338.15393	9.0
351.07214	3.9
355.10275	2.5
356.10699	0.6
631.23828	0.5
649.25861	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.2799
Annotation	Unknow
Peak:m/z	Relative Intensity
54.64393	0.8
57.03442	0.8
59.01374	2.8
61.98827	3.4
67.01889	2.0
69.03428	0.8
69.88665	4.9
71.01378	2.8
82.02965	0.9
82.06636	0.9
83.04982	1.1
85.02958	3.7
87.00877	2.6
93.03470	12.6
106.06635	2.8
108.04571	4.3
110.06120	3.4
111.04539	2.6
114.96227	0.9
115.92149	0.9
116.92909	1.2
120.04575	1.2
121.05332	1.1
122.06145	12.4
124.07642	0.9
127.00428	0.8
132.02208	1.0
133.03003	4.4
134.06136	14.8
135.04538	2.9
135.06894	3.2
136.07716	7.7
138.05608	3.3
140.07204	25.6
141.07515	0.9
144.04594	2.1
146.06148	3.0
149.04877	6.4
149.52121	0.7
150.05641	4.1
152.07175	3.5
153.04335	0.9
160.01665	3.8
160.04117	1.4
161.04836	2.9
162.05632	15.1
163.06239	1.5
164.03549	6.2
164.05899	1.5
164.07170	13.9
166.05133	5.6
167.05910	4.0
168.06686	2.0
170.98639	0.8
172.04054	2.4
173.04570	4.9
174.05614	2.3
176.07280	0.8
177.01971	1.0
179.03508	1.7
187.08809	1.5
189.05676	0.9
191.05627	21.1
192.05936	1.0
193.05026	1.3
202.12404	1.1
203.08142	0.8
204.06677	5.7
210.07808	1.2
211.08734	3.3
212.05939	8.1
212.09454	1.9
213.10406	1.5
215.05591	1.3
215.11913	1.4
223.08675	0.9
224.09348	1.8
225.06755	4.9
225.10254	3.0
226.07361	1.1
227.08295	1.6
227.11908	3.2
228.08894	1.2
229.09763	1.5
230.11739	1.6
237.10318	5.9
238.07433	2.9
239.08287	12.0
239.11980	3.4
239.36180	1.0
240.08896	4.6
241.09735	1.9
243.11317	5.6
249.10358	1.2
250.97092	0.9
251.08160	4.3
251.11903	3.6
252.08943	4.5
252.12669	3.5
253.06158	14.0
253.09782	18.9
253.13155	1.7
254.06421	1.7
254.10281	2.3
255.11313	4.6
257.09259	1.0
259.10947	1.0
261.12433	6.5
262.07480	1.1
264.09064	1.0
265.06244	3.9
265.09811	1.9
266.06943	7.9
267.07703	16.7
267.11331	11.6
268.08575	7.3
268.12009	10.0
269.09180	1.2
269.12799	2.8
270.10190	1.6
271.10965	2.6
273.12408	9.2
274.12872	0.9
275.13965	1.3
277.09787	1.6
279.07703	7.7
279.11328	3.3
280.08517	26.3
281.09271	27.4
282.09805	3.5
283.10889	3.2
284.08026	1.7
284.12970	2.0
285.08804	3.4
285.12576	2.5
286.09164	1.0
287.10428	0.9
294.10049	1.1
295.10889	100.0
296.11526	32.8
297.12396	20.2
298.09479	0.9
298.12695	1.6
299.10376	4.0
300.10931	2.2
301.11917	7.3
302.12634	1.2
303.13492	42.8
304.13815	5.0
311.10339	2.2
312.11020	1.6
313.11932	3.6
319.12906	1.4
321.08340	0.9
321.14563	3.9
327.09827	1.7
327.13513	22.8
328.10544	5.0
328.13931	2.9
339.09869	25.2
340.10526	6.0
341.11255	7.4
351.07169	3.0
367.10513	1.1
371.12479	30.7
372.13016	4.4
373.14154	3.0
381.09671	1.4
390.14581	2.4
394.45160	0.8
404.16003	2.2
406.14111	2.5
408.86191	1.0
420.15482	3.2
435.17792	2.2
448.15060	1.0
479.16922	2.9
480.17657	1.5
501.13773	2.4
502.14587	1.1
511.19708	4.0
513.14166	4.8
514.14557	1.2
519.15820	1.0
557.24310	6.0
599.25226	16.6
600.25446	3.1
601.22992	30.0
602.23102	6.8
615.25305	1.1
617.26251	8.2
618.26807	1.8
619.24365	1.4
625.22760	1.0
633.25848	12.5
634.25714	2.5
643.24219	68.8
644.24384	15.2
650.23621	1.0
661.25269	59.3
662.25543	15.3
675.27039	22.8
676.26666	4.9
693.19751	7.5
693.28241	10.0
694.31555	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	690.2214
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	0.3
61.98830	100.0
62.98537	0.2
71.01378	0.2
71.61481	0.1
74.17028	0.1
78.95935	0.1
86.90343	0.1
91.54315	0.1
101.02437	0.1
172.70628	0.1
179.38478	0.1
197.12158	0.1
291.19800	0.3
398.14127	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3202
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	3.8
60.99307	16.3
61.98839	2.0
71.01392	0.3
71.61645	0.2
73.02930	0.3
76.96664	0.2
78.90330	0.3
78.95914	0.6
80.57127	0.2
87.00853	0.6
88.00390	2.0
88.98816	100.0
89.02450	9.0
89.99169	1.1
101.02486	0.3
111.04606	0.3
113.02477	0.4
152.99593	0.7
191.05704	0.3
193.05081	0.7
277.21713	0.7
279.39456	0.3
323.09760	0.4
341.10736	0.6
396.18365	0.3
453.15109	0.4
481.15424	0.3
482.15515	0.8
483.14960	0.3
495.16071	0.4
496.16876	1.5
497.16949	0.3
509.17932	0.3
536.16760	0.3
541.16595	0.3
551.46033	0.3
552.19714	5.0
553.19415	2.0
555.19019	0.3
573.15582	0.5
596.18842	0.6
601.32794	0.4
628.21387	14.5
629.21100	5.7
691.37982	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3211
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.3
59.01379	14.6
61.98830	10.7
63.37392	0.8
69.03457	2.7
69.32915	1.0
70.74787	2.6
71.01383	5.7
71.05010	2.1
73.02950	2.8
81.03474	2.2
83.01400	2.3
83.05039	13.5
85.02961	1.9
87.00890	1.5
89.02462	3.6
89.27711	0.9
95.01373	1.1
95.05041	1.4
96.96027	1.8
97.02990	1.0
97.06592	1.1
99.00907	1.3
99.04543	0.8
101.02422	5.1
109.06600	1.6
110.03119	0.8
113.02462	1.5
116.80343	0.9
119.03471	1.1
123.08170	2.6
125.09710	2.3
127.00372	1.5
135.08165	3.2
137.09737	1.4
151.11307	1.3
153.12874	1.9
161.04604	1.9
161.09764	3.1
163.11253	1.4
169.08798	1.8
179.10762	5.9
181.08722	15.7
189.00404	1.3
197.11850	88.4
198.12126	4.6
199.09764	1.2
201.11340	4.9
209.11836	31.2
209.13824	1.6
210.12117	1.6
223.09853	1.4
224.09583	1.3
227.12903	3.5
229.57082	0.9
235.08224	1.6
241.10860	6.4
246.29517	1.0
253.09358	4.6
289.68182	0.9
453.27713	1.0
477.19882	2.1
570.09253	1.0
659.29309	100.0
660.29529	17.4
691.32062	29.1
692.32562	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	693.2629
Annotation	Unknow
Peak:m/z	Relative Intensity
57.58391	0.1
59.01377	3.4
60.01706	0.2
60.99295	0.2
64.29977	0.1
67.01897	0.4
69.03460	0.2
71.01376	1.3
71.69035	0.2
73.02956	0.5
83.01386	0.2
85.02953	1.0
87.00882	1.0
89.02467	0.2
93.03465	3.7
99.00907	0.1
101.02459	0.9
109.03031	0.1
111.00866	0.1
111.04512	0.4
113.02479	0.5
117.03478	0.4
119.05042	88.3
120.05373	3.8
121.05670	0.1
125.02437	0.1
127.00392	0.2
127.04068	0.2
133.02977	0.6
133.06578	0.1
134.03763	0.9
135.04591	0.6
147.04587	0.2
161.04604	0.3
163.04025	100.0
164.04372	5.4
164.05640	0.1
167.03510	0.2
173.00800	0.1
173.04572	1.2
177.01884	0.4
179.03442	0.2
179.07161	0.4
185.02177	0.1
189.00426	0.1
191.05626	12.9
192.05991	0.6
193.04967	0.7
215.05650	0.2
235.11852	0.8
265.12729	0.1
307.08066	0.1
307.13950	0.3
311.71890	0.1
321.15662	0.2
323.13062	0.2
325.09277	17.7
326.09616	1.8
341.81628	0.1
351.07239	0.7
367.10287	4.0
367.16013	2.9
368.10593	0.5
368.16315	0.2
636.40759	0.1
685.52179	0.1
693.17511	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	690.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80633	0.3
58.23336	0.3
59.01373	1.9
60.99303	5.4
61.98830	8.7
63.76086	0.3
70.08353	0.9
70.08743	0.6
71.01373	0.6
73.02940	1.2
78.95918	0.4
79.76134	0.3
87.00882	2.7
88.00410	4.7
88.98811	31.4
89.02467	2.2
98.20589	0.5
101.02444	0.3
108.87227	0.3
126.09548	0.3
148.90938	0.3
193.05135	0.4
213.46364	0.4
259.61011	0.3
277.21765	1.0
341.11014	0.4
437.12216	0.7
438.13184	0.9
451.14041	0.6
452.14777	2.1
453.15375	0.6
461.96738	0.3
466.16312	0.8
480.14096	0.5
481.14935	5.1
482.15204	1.5
484.14508	0.5
493.15317	1.3
494.15689	0.4
495.16785	10.7
496.17133	2.9
498.16580	0.9
507.16599	0.4
508.17825	1.9
509.17868	1.0
512.13556	0.9
514.14807	0.4
521.14740	0.4
522.14789	0.6
523.19550	0.8
526.14697	0.7
529.13660	0.4
533.18121	0.8
535.16376	1.3
536.17212	1.8
537.17267	0.9
539.15887	0.4
540.16736	2.6
541.16840	0.5
551.19312	31.0
552.19550	10.8
553.18408	0.4
554.19586	2.8
555.19098	0.9
568.15564	0.6
572.15479	2.9
573.16010	0.9
583.22272	0.5
586.17059	2.5
587.17004	1.1
595.18231	3.0
596.18341	1.0
598.18304	0.5
627.21075	100.0
628.21387	32.3
629.21381	0.7
630.21234	5.9
631.21704	0.9
690.23175	0.7
691.22144	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.3387
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	22.3
61.19103	5.3
61.98828	24.5
71.01381	12.9
71.61606	7.0
78.95924	12.1
81.92469	5.6
89.02455	11.8
101.02457	10.4
113.02495	6.5
115.00858	6.0
121.02934	11.3
153.34547	6.0
161.55322	6.0
163.74426	5.7
169.97351	8.0
253.21678	39.1
397.13519	100.0
398.14041	7.6
415.14471	26.2
651.36292	12.1
687.33820	91.2
688.34314	23.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.3589
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	0.6
58.02958	1.9
59.01368	3.4
61.98822	6.0
66.03484	1.2
69.32893	5.0
69.33298	1.5
70.02978	1.1
71.01376	2.1
72.99289	0.7
73.02937	1.0
73.04066	6.1
74.02454	1.8
76.76337	0.6
82.02978	3.0
84.00932	0.9
85.04095	1.2
87.00933	0.7
96.95994	1.6
98.02481	1.9
99.00900	0.7
99.02028	1.0
101.02448	1.0
107.02525	0.8
109.04058	1.5
112.05191	1.1
113.03560	1.1
115.05136	4.5
115.08773	2.3
116.03557	1.5
116.07168	2.3
116.92861	2.9
123.05608	1.5
124.04067	6.0
125.03562	1.3
126.05623	3.6
127.00386	0.8
127.05160	14.0
127.08754	1.0
128.03554	7.2
130.08755	46.8
131.09106	1.6
133.01387	1.0
135.04539	1.4
137.07205	2.1
139.05127	1.9
140.07208	1.0
140.08287	0.7
141.06679	4.3
154.09854	1.5
155.04639	2.0
155.08286	1.0
156.06668	0.8
165.05600	0.8
166.06230	16.1
167.04643	9.0
169.13470	1.2
171.14946	0.7
173.05644	1.0
179.01694	0.7
180.07759	0.9
184.07283	30.0
185.05649	2.2
185.07417	1.1
185.16592	11.3
189.00372	1.4
191.05685	0.9
196.10852	0.7
197.05652	0.8
197.12943	2.5
208.10938	1.6
210.08812	0.8
211.14543	1.3
223.08307	1.8
226.15239	0.7
229.15596	5.5
238.11877	0.8
240.13583	0.9
241.09473	6.7
242.09843	0.8
242.18796	0.8
250.11972	1.3
257.92749	0.7
264.17328	0.9
265.12982	3.1
275.08896	1.0
283.10519	1.0
283.14072	1.8
284.23398	11.6
285.23981	1.0
310.21283	1.2
314.17001	0.7
321.19400	1.5
328.22318	2.6
341.25580	3.0
354.20251	0.9
383.19168	1.4
385.24686	5.7
407.38364	0.9
416.21344	0.8
427.25607	3.1
429.27029	0.8
439.25543	2.5
452.28760	1.4
484.27682	2.0
496.27658	18.0
497.27975	2.7
522.29388	1.1
540.30017	1.6
553.29779	5.8
554.30249	0.9
595.30951	6.2
596.31781	0.7
613.31958	1.8
625.32208	4.7
639.33569	10.2
640.34192	2.3
643.33136	29.0
644.33527	4.8
657.34839	7.2
669.34674	4.6
687.35913	100.0
688.36200	23.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.3669
Annotation	Unknow
Peak:m/z	Relative Intensity
55.46003	0.7
57.03437	1.1
58.00585	1.4
59.01378	27.0
61.98822	1.7
69.03467	1.7
69.70823	5.5
71.01382	24.9
72.99321	2.0
73.02949	4.5
75.00861	1.3
81.03448	1.5
83.01403	3.4
83.05037	0.9
85.02949	4.1
87.00892	5.5
89.02447	18.9
89.02956	1.4
95.01407	2.4
97.02956	3.6
99.00878	2.0
101.02449	19.9
111.04552	1.2
113.02464	10.6
116.92854	1.1
119.03506	5.1
125.02448	8.2
127.00440	0.9
131.03503	0.8
137.02431	1.1
143.03526	3.1
153.85208	0.8
161.04579	4.8
167.39857	0.8
179.05632	3.6
188.37666	0.9
221.06705	0.8
227.20161	65.2
228.20505	5.4
235.08218	10.3
241.75424	0.7
251.20128	2.4
253.09338	1.6
263.07858	1.0
287.07675	2.7
305.08801	3.6
360.74850	0.8
397.13513	100.0
398.13815	8.6
415.14554	26.9
416.14868	2.4
526.12640	0.8
542.02368	1.0
552.93506	0.8
625.34503	7.8
685.32208	3.5
686.32397	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.2924
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	0.7
59.01376	8.1
60.60120	0.4
61.98825	1.5
70.21555	1.4
71.01382	3.3
72.26513	0.4
72.99323	0.6
73.02953	1.4
78.95872	0.5
79.95741	3.6
80.96533	1.7
83.01387	0.7
83.61668	0.4
85.02975	1.6
87.00894	0.8
89.02458	1.4
96.96023	100.0
97.02983	0.4
97.95940	0.5
99.00863	0.5
101.02474	2.2
103.00382	1.9
113.02464	1.3
119.26873	0.5
122.06147	1.8
138.97107	0.8
151.00391	1.4
161.04701	0.6
169.01468	0.4
177.01900	1.0
178.99838	2.0
189.00322	0.6
191.05577	0.6
193.03506	0.4
209.54649	0.4
239.11792	0.7
241.00230	1.8
241.10098	0.4
253.09962	0.6
259.01196	1.1
283.10919	1.0
293.09225	0.4
301.02356	1.0
367.11737	0.7
369.11963	0.5
475.14279	0.4
526.64709	0.4
549.21289	0.7
561.16406	0.9
567.22791	1.1
571.28003	1.9
572.28046	0.6
583.28302	0.9
593.20410	1.0
595.28802	0.5
601.28986	30.1
602.28949	6.1
611.21198	0.6
613.29425	1.9
614.29797	0.5
625.22961	0.6
643.30176	45.9
644.30542	6.8
687.29211	54.3
688.29529	12.6
688.40698	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.4573
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05106	0.2
53.21385	0.2
56.89566	0.2
57.03442	0.8
59.01367	0.4
61.98823	0.8
62.98052	0.2
66.29427	0.2
69.03458	0.4
71.01392	0.3
71.05019	0.8
71.66607	0.5
71.66987	0.3
73.02948	1.1
80.02663	0.7
83.01388	0.6
83.05014	1.2
84.02181	1.0
85.02960	0.3
93.03461	0.3
95.05037	1.0
96.96038	0.5
97.06594	0.5
99.00905	0.7
99.08157	2.9
109.06523	0.3
110.53400	0.2
120.99677	0.6
121.06577	0.2
123.08251	0.4
125.09727	1.5
127.00394	1.5
127.07653	0.4
127.11303	1.6
129.09232	0.5
137.09749	0.6
139.11317	1.3
139.80443	0.3
141.09236	0.7
147.11829	0.6
153.12860	1.2
155.10783	0.3
155.14474	0.6
162.10509	0.7
163.11307	2.3
165.08963	0.5
165.12854	17.7
166.13213	0.9
167.10745	0.6
167.14394	0.8
171.10303	3.9
179.10788	0.3
181.08423	0.4
183.13930	3.5
185.09474	0.3
185.11902	0.4
189.00462	2.1
191.06895	1.0
191.10596	0.4
193.08467	8.2
193.12291	2.1
195.06403	0.3
199.13464	0.3
201.09026	0.7
203.10522	0.8
205.08516	0.3
205.12090	2.9
207.10028	1.0
207.13675	0.3
209.07986	1.1
209.11783	1.3
211.13394	19.3
212.13753	1.3
213.09055	0.5
215.10533	1.1
217.08545	0.6
219.10020	2.3
221.11591	10.5
222.11903	0.8
223.13142	0.3
225.07396	0.4
229.14432	12.0
230.14784	0.9
231.10016	8.6
232.10522	0.6
233.11574	91.6
234.11894	5.8
235.09570	0.6
237.11031	0.7
247.09525	0.8
249.11081	15.9
249.74577	0.3
250.11481	1.2
251.12698	22.1
252.12833	1.0
265.10654	0.7
293.21167	0.7
311.22205	0.7
329.23306	79.6
330.23630	8.1
331.18845	0.6
351.21503	100.0
352.21838	11.9
395.20334	0.6
555.30988	0.3
681.45636	12.5
682.45923	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	683.2271
Annotation	Unknow
Peak:m/z	Relative Intensity
54.67658	0.3
55.01872	0.5
56.21254	0.2
57.03450	0.4
58.00590	1.5
59.01376	38.2
60.01704	0.5
61.65992	0.2
69.82029	1.4
71.01382	30.3
72.01738	0.5
72.99295	1.6
73.02952	0.8
83.01388	1.0
85.02955	3.8
87.00880	2.4
89.02448	39.9
90.02808	0.6
92.92841	0.3
93.02351	0.2
95.01370	1.6
97.02943	0.3
98.20675	0.3
99.00928	0.2
101.02454	15.2
102.02785	0.4
110.39809	0.2
113.02462	12.3
119.03512	11.7
120.03907	0.2
125.02502	0.4
131.03513	2.0
135.04565	0.4
143.03526	2.9
149.04573	0.9
161.04564	3.9
179.05618	14.5
180.05994	0.5
199.64189	0.3
245.85197	0.2
341.10886	100.0
342.11237	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	685.3231
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16168	2.9
59.01382	12.8
61.98816	11.9
62.40491	3.2
71.01367	15.4
73.02985	3.8
74.76247	3.5
74.89322	2.9
88.98790	10.0
89.02462	11.4
89.86215	3.0
99.92636	3.4
101.02457	13.5
113.02465	5.5
116.92853	6.5
119.03580	3.9
153.10207	3.0
189.00545	3.3
189.18546	3.2
235.08244	5.8
249.18585	3.8
251.20103	48.1
319.25745	3.3
397.13510	100.0
398.13882	7.8
415.14468	36.2
416.14673	4.6
649.34583	16.8
685.32239	73.0
686.32544	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	681.1483
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	2.5
57.03447	6.5
59.01147	0.5
59.01379	6.1
61.63602	0.5
61.98828	4.3
71.01387	8.3
71.57097	1.1
72.99306	1.2
73.02950	48.9
73.84389	0.6
74.03281	0.6
75.00868	1.2
78.95967	0.7
79.17020	0.5
83.01395	28.7
84.01733	0.9
85.02982	1.1
87.00885	6.0
89.02463	1.6
96.96005	1.5
99.00893	28.8
101.02459	8.8
103.00381	3.1
113.02483	1.0
115.00359	1.9
116.92860	1.1
117.01951	1.3
119.03484	0.7
119.83347	0.5
127.00391	73.5
128.00749	2.5
130.99873	0.6
132.80835	0.5
133.01453	1.9
136.26508	0.6
142.99867	5.5
145.01393	1.4
159.04533	2.0
170.99414	2.0
171.10213	0.6
189.00424	100.0
190.00786	3.9
191.05658	1.0
195.13947	1.0
207.01471	53.3
208.01797	2.5
209.11842	2.5
227.12796	0.7
283.19089	3.1
293.04623	1.4
294.05161	0.6
309.07703	1.7
364.68570	0.6
415.14667	0.9
421.20685	0.8
447.14523	0.7
491.13068	0.8
519.31909	0.9
681.37427	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	678.3155
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08112	0.1
59.01372	0.6
61.98829	100.0
62.98540	0.2
71.72655	0.2
78.95945	0.1
132.16158	0.1
160.69379	0.1
183.10265	0.2
193.05096	0.8
194.05394	0.7
195.05620	0.3
196.05992	0.1
277.21704	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.4087
Annotation	Unknow
Peak:m/z	Relative Intensity
54.91108	6.4
59.01371	14.7
66.44404	6.8
71.01378	8.0
71.53140	11.6
95.41695	7.4
95.48585	6.2
100.48213	7.5
128.80975	7.5
134.03705	35.8
149.06107	7.0
193.05066	43.2
193.12346	60.3
249.18588	100.0
253.09348	18.7
278.78845	7.4
290.10120	8.3
504.18878	7.2
582.81519	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	680.2992
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02963	2.0
59.01390	3.4
60.98635	0.7
61.98835	3.8
61.99085	0.6
66.03481	0.9
67.03004	1.3
68.64256	0.8
70.02969	0.8
71.01376	3.1
71.57572	1.0
73.02939	1.6
73.04076	5.3
74.02469	1.9
82.02982	4.5
82.06644	0.7
83.01385	0.8
83.02499	1.7
84.04516	1.1
85.02953	1.5
89.02468	0.9
96.04581	0.6
96.95995	2.5
98.06101	0.8
99.00896	1.2
99.02029	2.5
99.05622	3.5
101.02441	1.4
101.07186	1.7
107.02527	0.8
109.04087	7.0
110.02449	1.3
111.05671	1.1
113.02493	0.8
113.03616	0.9
115.05145	1.8
116.05064	3.1
118.06617	0.9
120.08233	1.0
122.02489	0.8
122.06126	0.9
123.05660	2.3
124.04079	5.4
125.03605	0.9
127.00371	0.8
127.05154	53.5
128.03554	13.9
128.05501	1.1
130.08751	33.9
131.05022	2.2
131.09085	1.3
137.03528	0.8
139.05150	4.2
140.08322	0.9
141.06726	5.0
141.10320	2.1
145.06187	2.3
147.04520	1.3
147.05916	0.7
148.04341	1.1
149.07185	2.5
150.05670	1.4
154.06218	0.9
158.09398	1.0
164.07199	1.4
166.06227	24.7
167.04639	2.9
167.08112	0.7
168.09143	0.7
170.02818	0.8
172.04350	5.6
174.05453	0.9
184.07288	17.0
185.05644	2.9
185.07175	0.8
186.05615	8.2
187.05553	0.7
189.00494	1.6
189.07025	5.2
190.05412	1.9
191.05630	1.4
191.67746	0.7
197.13051	0.9
198.05902	1.2
203.08257	1.6
209.11868	0.8
210.12073	0.7
216.13980	5.6
229.10078	0.9
232.11200	0.8
240.08136	3.0
241.06534	5.9
241.12051	0.8
246.09068	1.1
247.07549	1.9
255.14920	1.0
256.11127	1.1
257.09320	1.4
258.09134	3.8
267.11053	0.9
270.12473	3.0
275.10513	1.0
277.15610	5.9
278.16092	0.9
300.10278	1.8
303.13593	1.1
314.11786	0.9
315.11276	3.1
318.11310	6.7
319.09827	1.1
334.17682	2.9
378.20187	1.6
388.18771	2.0
445.20905	17.7
446.20993	1.6
461.18915	1.5
489.23602	9.3
505.07294	2.5
505.17297	2.9
549.19781	1.4
554.94812	0.9
573.26978	1.3
574.27075	1.0
576.25006	1.0
618.26300	10.6
619.26544	2.7
636.27161	44.6
637.27344	8.3
662.28906	7.6
663.29639	2.0
680.29913	100.0
681.30054	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	677.4265
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59154	0.3
52.62877	0.3
57.03441	0.9
57.20567	0.3
57.44880	0.2
59.01373	0.9
60.81105	0.2
61.98817	0.4
69.03448	0.7
69.23877	0.2
70.77927	0.8
71.01378	1.6
71.05021	0.6
73.02944	1.4
80.02685	0.7
81.03457	0.7
81.30159	0.3
83.01392	1.5
83.05036	1.3
84.02166	0.9
85.02952	2.5
85.06573	0.3
90.01023	0.2
90.87012	0.3
93.03468	0.5
95.01382	0.4
95.05045	1.4
95.08674	0.3
96.96046	0.3
97.02969	1.0
97.06600	2.7
99.00880	1.1
106.04259	0.3
109.06596	0.4
109.29270	0.2
111.01051	0.2
123.04517	0.3
123.08172	0.5
125.09748	1.3
127.00392	1.9
127.07626	0.3
127.11292	1.1
135.08122	0.3
137.09731	2.1
139.11311	0.6
141.09218	0.4
145.06194	0.4
147.11813	0.4
151.11276	0.6
152.00867	0.3
153.12871	1.1
155.10864	0.6
162.10492	0.3
163.11273	1.6
165.09123	0.5
165.11447	0.6
165.12859	12.1
166.13206	0.8
167.10698	0.6
167.14389	0.5
171.10287	4.3
175.11276	0.8
176.11995	0.3
177.09062	0.5
177.12886	0.6
179.10666	1.3
181.08553	0.3
181.12344	0.8
183.13921	2.2
185.11836	0.6
189.00426	3.2
191.06935	0.8
191.10608	0.6
193.08478	7.9
193.12234	2.0
194.08731	0.4
197.11847	0.8
201.08907	0.3
202.64554	0.3
203.10631	1.1
205.08510	0.5
205.12079	2.1
207.01491	0.5
207.10034	12.9
208.10402	0.5
209.07964	0.8
209.11913	1.4
211.13408	12.4
212.13791	0.7
215.10477	0.8
217.08440	0.5
219.10010	4.7
221.11639	8.5
222.11925	0.4
223.09534	0.7
229.14456	8.7
229.16762	0.5
230.14760	0.4
231.10019	8.6
232.10356	0.3
233.11581	64.0
234.11888	4.2
235.09521	0.9
239.12857	1.2
243.10051	1.6
245.19070	0.6
247.09537	1.2
248.10182	1.6
249.11084	10.1
250.11552	0.7
251.12724	12.9
252.12968	0.8
261.11060	14.7
262.11389	0.7
265.10535	0.7
278.11282	0.4
279.11865	0.3
291.19699	2.0
292.19962	0.3
309.20541	0.4
313.17819	3.5
314.18073	0.4
327.21756	65.3
328.22098	6.0
329.17303	0.5
331.18893	6.2
332.19144	0.5
349.19946	100.0
350.20273	9.3
350.24695	0.3
375.17850	0.5
393.18948	0.4
474.32336	0.3
645.31592	0.7
677.42529	6.6
678.42767	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	677.378
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14070	0.1
52.06749	0.1
55.01888	1.2
56.88273	0.1
57.03447	1.2
58.00591	2.0
59.01377	35.0
60.01707	0.5
61.98825	0.2
67.01908	0.3
68.99817	0.3
69.03457	2.4
71.01382	36.5
72.01724	0.6
72.99309	3.2
73.02948	6.4
75.00871	1.0
78.95924	0.2
81.03458	1.6
83.01386	4.3
83.05032	0.2
83.51210	0.1
84.02191	0.2
85.02956	7.7
86.00108	0.5
87.00880	8.7
87.04507	0.3
88.01210	0.2
89.02448	28.8
90.02809	0.5
91.04008	0.8
93.03456	0.4
95.01396	2.3
95.05016	0.1
97.02956	6.3
98.03278	0.1
98.19887	0.4
99.00880	2.2
99.04523	0.5
101.02451	29.6
102.02777	0.6
103.00385	0.4
103.04021	0.4
109.02927	0.7
111.00910	0.7
111.04534	1.0
112.01671	0.3
113.02458	13.7
114.02802	0.4
115.00345	0.1
115.04036	0.5
115.78395	0.1
119.03510	9.0
119.84186	0.1
120.03928	0.1
121.02968	0.5
123.04514	0.4
124.01674	0.4
125.02455	11.3
126.02784	0.6
127.04013	0.4
128.12288	0.1
129.01938	0.2
131.03531	1.5
133.05095	1.0
137.02443	0.3
139.04042	1.1
139.35233	0.1
141.01961	0.7
143.03511	5.4
143.41106	0.1
144.03915	0.2
149.02495	0.2
149.04546	0.9
155.03497	0.2
157.05054	0.2
161.04562	6.7
162.04918	0.4
167.03586	0.7
169.05034	0.4
171.02963	0.3
179.00041	0.1
179.05623	6.4
180.05983	0.2
181.05101	0.2
185.04543	0.5
199.06110	0.5
203.05612	0.5
208.49873	0.2
209.04547	0.2
209.11766	0.5
217.07138	0.9
219.05139	0.3
221.06676	2.2
227.05705	0.2
230.43901	0.1
233.06691	0.2
235.08214	13.6
236.08563	0.6
243.42427	0.1
245.06631	0.9
249.18658	0.3
253.09265	3.4
259.08179	0.2
261.22226	0.5
263.07626	1.3
277.09332	1.0
279.23264	100.0
280.23590	11.1
287.07700	3.3
288.07870	0.2
293.21576	0.2
293.24811	0.5
305.08749	3.9
306.09006	0.2
321.24313	0.2
323.09839	1.5
345.67471	0.1
361.11267	0.5
379.12357	0.9
397.13495	83.1
398.13840	8.1
415.14539	32.7
416.14874	3.1
564.60919	0.1
577.26794	0.3
677.37604	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.3775
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01636	0.2
55.01886	1.1
57.03442	0.9
58.00605	2.1
59.01378	34.1
59.59374	0.2
60.01725	0.4
60.85147	0.2
61.98824	0.4
62.89527	0.2
67.01883	0.2
68.99812	0.4
69.03458	1.9
71.01384	35.4
71.72077	0.3
72.01721	0.5
72.99310	2.8
73.02946	5.3
73.50570	0.2
74.77960	0.2
75.00880	1.1
78.95916	0.4
81.03458	1.6
83.01392	4.1
83.05045	0.2
85.02956	8.2
86.00124	0.3
87.00881	8.5
87.04519	0.3
89.02450	28.5
90.02786	0.4
91.04005	0.7
93.03468	0.2
95.01401	2.2
95.05019	0.2
97.02960	5.6
99.00888	2.3
99.04519	0.5
101.02451	29.2
102.02771	0.6
103.00380	0.2
103.04049	0.3
104.71829	0.2
108.45978	0.2
109.02975	0.8
111.00885	0.5
111.04540	0.8
112.01691	0.3
113.02461	13.9
114.02798	0.3
115.04018	0.9
116.92846	0.3
119.03515	8.8
119.04900	0.4
121.02949	0.8
123.00907	0.3
124.01697	0.4
125.02461	10.9
126.02773	0.4
127.04027	0.5
131.03549	1.6
133.05086	1.2
137.02486	0.2
139.03992	1.1
141.01936	0.6
143.03522	5.7
149.04556	1.2
152.99605	0.6
157.05106	0.3
161.04570	6.9
162.98578	0.2
167.03531	0.8
167.85112	0.2
169.05084	0.4
171.02948	0.3
179.05624	5.8
185.04515	0.5
189.00616	0.2
199.06163	0.4
203.05629	0.2
209.11836	0.2
217.07181	1.2
219.05180	0.4
221.06639	2.1
222.07030	0.2
235.08223	12.6
236.08548	1.0
245.06651	0.9
252.45215	0.2
253.09277	3.7
254.09659	0.3
261.22226	0.2
263.07751	1.3
263.38510	0.2
267.70102	0.2
277.09341	1.0
279.23273	100.0
280.23627	11.7
281.46774	0.2
287.07697	3.4
293.24789	0.4
305.08795	4.0
306.08954	0.3
323.09799	1.7
361.11337	0.5
379.12360	0.8
397.13510	86.2
398.09848	0.2
398.13803	8.4
415.14560	34.4
416.14944	3.4
448.59442	0.2
577.26709	0.3
595.29132	0.6
670.49976	0.3
677.37689	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.305
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.5
57.03447	0.4
59.01116	0.5
59.01382	6.5
61.98826	1.9
69.03432	0.8
69.51022	1.4
69.51455	1.4
71.01389	4.3
71.05028	1.9
71.05360	0.3
71.93096	0.3
72.99318	0.4
73.02946	1.3
78.95921	0.4
81.03459	0.6
83.01390	0.4
83.05039	0.7
85.02955	1.4
87.00893	0.8
89.02455	2.2
95.05037	2.6
96.96030	0.9
97.02969	2.6
97.06593	5.4
99.00893	32.7
100.01231	0.8
101.02466	2.4
109.06573	0.7
110.03763	0.6
113.02454	1.3
116.92858	0.7
117.07124	1.0
119.03547	0.6
123.04546	0.4
123.08165	0.9
125.09753	4.3
127.00378	0.4
127.11273	0.6
133.06659	0.3
135.08177	3.6
142.02724	1.1
145.05075	0.5
153.09239	10.3
154.09546	0.7
161.04625	0.7
163.11317	5.2
164.11646	0.4
169.08630	0.5
171.10300	2.6
179.05696	0.6
179.07152	1.3
181.12364	10.8
182.12633	0.5
188.28023	0.3
189.00444	0.7
191.05600	0.4
197.08221	6.1
197.11847	1.4
198.08485	0.6
199.13414	8.4
200.13698	0.5
201.11346	0.5
207.10283	17.6
208.10594	0.9
209.11781	0.7
215.09248	7.6
225.11340	28.5
226.11662	1.8
243.12384	21.1
244.12732	1.6
253.09302	1.2
317.16071	0.6
330.21048	0.4
433.17136	1.2
451.18271	2.5
461.20361	0.6
479.21338	6.4
480.21582	0.5
515.24689	0.5
615.44263	0.4
617.22021	0.4
659.20093	0.3
659.29382	2.1
660.30756	0.5
677.30481	100.0
678.30811	21.8
678.42761	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.2322
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00280	0.4
59.01382	72.4
60.01720	0.9
66.47773	0.4
71.01397	4.0
71.08505	0.4
72.92747	0.4
73.02952	2.9
81.03500	0.5
83.01418	1.5
85.02961	2.5
87.89872	0.4
95.01459	0.4
96.96027	0.6
98.19936	0.9
99.00894	0.9
101.02457	6.6
105.03472	0.8
107.01423	1.3
107.76825	0.4
113.02495	2.8
123.04536	0.7
129.01872	0.5
149.02472	15.3
149.03659	0.9
149.06108	5.6
150.02809	0.4
151.04112	0.7
155.34178	0.4
161.04584	2.1
163.04033	0.9
164.04729	0.6
174.71448	0.4
175.03979	0.5
189.00363	0.5
191.03520	1.3
191.05560	0.6
192.04102	0.4
193.05080	100.0
194.05403	6.7
197.01862	0.4
217.05101	0.9
220.36165	0.4
229.78192	0.4
235.06229	2.3
235.11884	13.9
236.12114	1.1
251.30698	0.4
261.01718	0.4
277.12939	6.3
278.13318	0.6
341.35367	0.5
355.10364	77.3
356.10666	7.8
493.91086	0.4
501.51529	0.4
515.11859	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.3624
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21109	0.1
52.02002	0.1
52.46424	0.1
55.01885	1.2
56.99814	0.2
57.03446	1.3
58.00594	2.8
59.01379	46.0
59.98515	0.2
60.01716	0.4
67.01894	0.4
68.99831	0.5
69.03455	2.8
71.01383	41.4
71.27654	0.3
72.01733	0.6
72.99310	3.3
73.02951	6.8
75.00879	1.0
80.51475	0.1
81.03463	1.6
83.01392	5.3
83.05032	0.5
84.02152	0.1
84.05998	0.1
85.02958	9.3
86.00102	0.5
86.03310	0.2
87.00880	9.8
87.04535	0.3
88.01245	0.2
89.02450	35.4
90.02801	0.5
91.04014	0.9
93.03485	0.5
95.01395	2.8
95.05048	0.3
97.02959	7.0
98.03311	0.2
99.00883	2.7
99.04527	0.6
101.02454	34.7
102.02819	0.8
103.00391	0.4
103.04031	0.4
108.02226	0.1
109.02934	0.7
111.00911	0.8
111.01542	0.1
111.04535	1.5
111.08214	0.1
112.01665	0.4
113.02463	16.6
114.02802	0.3
115.04025	0.8
119.03516	9.8
120.03875	0.2
121.02955	0.6
123.00911	0.4
123.04549	0.4
124.01676	0.4
125.02462	13.9
126.02802	0.4
127.03987	0.6
127.07634	0.3
129.01945	0.4
131.03522	1.7
133.05072	1.3
135.04572	0.2
137.02492	0.3
139.04021	1.0
141.01965	0.6
141.05559	0.2
141.09142	0.2
143.03517	6.5
145.05087	0.3
149.02480	0.3
149.04573	1.2
151.04013	0.2
155.03548	0.2
157.05072	0.4
159.02960	0.1
161.04573	9.2
162.04938	0.2
167.03557	0.9
169.05029	0.7
171.03009	0.4
174.75931	0.1
177.39804	0.1
179.05624	6.8
180.06027	0.2
181.05086	0.3
185.04634	0.6
199.06194	0.6
203.05638	0.4
217.07173	1.2
219.05107	0.4
221.06635	2.8
227.05690	0.2
233.22821	0.2
235.08214	15.7
236.08563	0.7
245.06548	0.9
253.09251	5.1
253.11816	0.3
254.09607	0.3
259.08334	0.2
259.20651	0.6
260.21042	0.1
263.07657	1.6
275.20120	0.6
277.21701	100.0
278.22049	9.2
283.08383	0.2
287.07693	3.5
288.08011	0.2
291.23257	0.5
305.08804	4.1
306.08975	0.2
319.22864	0.3
323.09790	1.9
334.86157	0.1
361.11325	0.5
379.12607	1.2
397.13501	93.4
398.13828	7.6
398.19247	0.2
415.14557	39.3
416.14862	2.9
675.36633	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.1743
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72436	0.3
59.01372	0.4
60.99309	0.2
67.01881	1.1
67.61800	0.3
69.55262	0.8
69.55682	1.0
69.61672	0.3
71.01373	0.3
85.02970	1.0
87.00908	1.4
88.31766	0.2
93.03476	4.3
100.78737	0.3
104.48959	0.3
105.03458	0.7
108.02171	0.9
109.02971	0.3
111.04510	0.7
119.05042	1.0
120.02190	0.3
121.02986	1.1
123.04525	1.0
127.04095	0.4
133.02972	1.7
145.02919	0.3
148.01659	0.7
149.02441	1.0
163.03943	1.2
173.04575	0.8
174.58316	0.3
175.99597	0.4
176.01161	10.0
177.01942	100.0
178.02264	4.6
185.97888	0.2
191.05623	20.0
192.05977	0.8
337.09271	4.7
339.07217	58.5
340.07550	5.3
343.57568	0.2
434.27631	0.3
535.27081	0.3
605.82281	0.3
628.74750	0.3
689.02289	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.3615
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.4
56.99804	0.1
57.03447	1.3
58.00313	0.2
58.00595	2.8
59.01380	46.8
59.98509	0.2
60.01722	0.5
61.02924	0.1
61.98818	0.2
65.03956	0.1
66.05197	0.1
67.01897	0.3
68.99812	0.6
69.03458	2.7
69.03809	0.2
70.40266	0.3
70.40666	0.2
71.01385	44.8
71.04997	0.2
72.01736	0.7
72.99312	3.5
73.02950	7.0
75.00883	1.1
81.03467	2.0
83.01395	5.3
83.05033	0.5
84.01717	0.2
84.02177	0.2
85.02960	9.4
86.00117	0.5
86.03302	0.3
87.00886	10.6
87.04524	0.3
88.01205	0.1
89.02452	36.0
90.02770	0.5
91.04033	0.8
93.03466	0.4
95.01398	3.1
95.05037	0.3
97.02962	7.7
97.06580	0.2
98.03281	0.2
99.00886	2.7
99.04522	0.6
101.02454	36.6
102.02776	0.7
103.00381	0.4
103.04034	0.4
107.05048	0.2
109.02962	0.9
111.00888	0.7
111.04544	1.5
112.01653	0.3
113.02464	17.9
114.02812	0.4
115.04044	0.8
119.03517	10.5
120.03888	0.2
121.02982	0.7
123.00893	0.3
123.04536	0.4
124.01670	0.6
125.02464	15.6
126.02744	0.5
127.04045	0.6
127.07706	0.3
129.01950	0.2
130.54121	0.1
131.03519	2.0
133.05086	1.2
135.04526	0.1
137.02475	0.5
139.04018	1.1
141.01968	0.9
141.05571	0.1
142.02710	0.2
143.03519	7.0
144.03845	0.2
149.02448	0.3
149.04573	1.1
151.04028	0.3
153.05569	0.1
155.03484	0.2
157.05054	0.3
159.03029	0.1
161.04573	8.5
162.04912	0.2
163.04065	0.2
167.03552	1.1
169.05052	0.6
171.03012	0.5
175.06154	0.1
179.05627	7.3
180.05989	0.2
181.05038	0.3
185.04509	1.0
199.06166	0.7
203.05547	0.5
205.19687	0.2
217.07164	1.4
219.05132	0.5
221.06659	2.8
222.06996	0.2
227.05559	0.1
233.06712	0.1
233.22765	0.5
235.08220	16.1
236.08630	1.0
245.06618	0.9
253.09265	4.1
254.09686	0.2
259.08359	0.1
259.20718	0.5
263.07648	2.0
269.06641	0.1
275.20169	0.4
277.09625	1.1
277.21710	100.0
278.22058	10.8
278.25269	0.2
287.07715	4.0
288.08020	0.3
291.23251	0.5
305.08783	4.7
306.09131	0.3
319.22714	0.1
323.09790	2.0
361.11603	0.6
379.12540	0.9
397.13507	92.5
398.13846	8.5
398.19220	0.3
415.14560	38.1
416.14899	3.2
675.35986	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.1953
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06922	0.1
57.03447	0.1
59.01373	1.7
60.99279	0.1
67.01879	0.3
69.70924	0.7
71.01379	0.9
73.02939	0.4
80.48140	0.1
81.03482	0.2
82.46432	0.1
83.01417	0.1
83.05036	0.3
85.02956	5.0
87.00882	1.4
89.02467	0.2
93.03464	3.4
95.01406	0.1
95.54680	0.1
99.00881	0.2
99.04520	0.3
101.02459	0.3
105.24779	0.1
109.02978	0.6
111.04531	0.9
113.02458	0.4
117.03463	0.2
119.03564	0.1
119.05038	0.6
127.00468	0.1
127.04040	1.5
127.04900	0.2
129.02036	0.1
137.02501	0.2
143.03484	0.1
145.02945	0.7
146.08116	0.1
161.04553	0.2
163.04005	1.3
171.02971	0.5
173.04547	1.3
191.05617	100.0
192.05949	4.1
194.35674	0.1
211.01804	0.1
272.77643	0.1
337.09280	27.1
338.09619	2.8
341.10928	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.2896
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46437	0.6
57.03437	1.7
59.01380	7.2
61.98819	3.0
67.99815	0.6
68.12214	0.6
69.90119	1.4
69.90533	2.7
71.01389	5.3
71.05022	2.8
71.86906	0.7
73.02945	2.3
83.01395	1.7
83.04990	1.0
85.02940	1.4
87.00846	0.7
89.02448	2.8
95.05066	3.4
96.17975	0.7
96.96013	1.4
97.02961	2.8
97.06618	5.1
99.00893	12.5
101.02474	4.0
109.06617	1.6
113.02459	2.0
114.50429	0.8
115.20850	0.7
119.03519	1.2
123.08182	8.4
125.02474	1.7
125.09772	5.3
127.00403	1.8
131.32761	0.8
133.06619	1.3
135.04704	0.9
137.80997	0.8
151.07704	3.6
153.12828	1.2
161.04591	1.0
163.11304	7.0
169.08714	13.9
181.12355	11.2
182.12659	1.0
189.00407	2.7
191.03305	0.8
195.06642	1.0
197.11705	1.5
199.13443	9.2
200.13670	0.8
203.07106	3.8
207.10277	20.3
208.10617	1.3
209.11803	2.0
213.07689	1.2
225.11339	34.1
226.11696	2.0
243.10127	1.3
243.12389	17.8
244.12668	1.3
253.09248	1.5
259.06058	1.3
276.38513	0.7
287.05646	1.4
317.28778	0.8
390.10876	0.8
449.16217	1.2
479.21790	3.4
631.29327	1.4
657.27686	1.1
675.28906	100.0
676.29211	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	675.3409
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15094	0.2
59.01377	4.1
61.98817	1.1
65.03968	0.3
69.62326	1.1
69.62751	1.3
74.69684	0.3
87.85598	0.3
98.20683	0.5
105.07130	2.2
107.05063	1.8
121.06559	0.3
130.29160	0.3
131.05052	1.0
147.04489	0.4
149.02412	0.9
149.06099	7.7
150.06441	0.6
151.43802	0.3
160.01599	0.4
175.04070	1.6
177.05560	0.3
193.05061	100.0
194.05392	5.7
235.06134	0.8
256.16357	0.3
363.06073	0.3
430.88361	0.3
615.31921	0.9
683.61212	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.3541
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67054	0.9
50.96745	1.0
54.66372	0.9
58.63806	1.0
58.80479	0.9
59.01379	100.0
59.88244	1.0
60.01725	1.4
61.98828	3.6
71.62013	1.7
78.95928	1.1
108.66764	1.0
143.07091	1.5
176.11467	0.9
267.58896	1.1
277.21777	1.1
332.10126	0.9
353.57266	1.0
491.69818	1.3
597.00793	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.2523
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60020	0.2
55.01863	0.3
55.83497	0.2
57.03445	0.4
57.80640	0.2
58.00588	1.1
59.01380	25.9
61.98806	0.3
67.58779	0.2
69.99151	0.2
71.01388	18.3
71.69112	0.2
72.99310	1.6
73.02951	0.7
78.95899	0.3
83.01408	1.0
85.02962	3.6
87.00890	0.9
89.02455	20.5
90.02793	0.5
91.80613	0.2
95.01413	1.3
96.96008	0.4
99.08138	0.4
99.92648	0.3
101.02457	13.8
102.02766	0.2
113.02463	8.3
114.02759	0.2
116.92896	2.1
119.03515	9.5
121.02942	0.2
127.00488	0.2
131.03519	0.7
133.01509	0.3
133.02977	0.3
135.04533	1.9
143.03502	0.6
143.07210	0.3
149.04558	0.6
161.02451	0.7
161.04559	0.6
161.08212	1.0
163.04041	0.4
174.23099	0.2
177.01981	0.5
179.03505	1.7
179.05609	0.8
179.07042	0.3
191.05666	1.2
323.13477	100.0
324.13803	7.4
335.12646	0.3
339.07172	0.3
341.08884	1.0
450.52573	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.2106
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00595	0.2
59.01379	6.6
71.01385	5.0
71.60252	0.3
72.99322	0.5
85.02959	0.8
87.00896	0.4
88.10786	0.2
88.71011	0.2
89.02451	6.5
93.03448	0.4
96.96034	0.8
101.02460	2.7
113.02462	1.6
116.92856	0.3
119.03595	2.8
119.05042	91.7
120.05373	4.0
121.02994	0.3
125.48723	0.2
131.03487	0.2
134.03563	0.2
135.04547	2.1
143.03502	0.5
161.04590	0.5
162.61163	0.2
163.04027	100.0
164.04362	5.2
179.03525	2.0
179.05621	2.6
179.07188	0.8
265.21512	0.2
312.12946	0.3
323.13687	0.3
325.09293	25.6
326.09610	2.2
341.10953	18.8
342.11353	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	668.237
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06168	0.2
55.90170	0.2
56.79100	0.2
61.98832	100.0
71.20530	0.2
71.20874	0.4
78.95939	0.3
86.07249	0.2
101.91308	0.2
102.06886	0.2
114.16064	0.2
128.48309	0.2
146.96625	0.4
152.99646	0.3
155.81062	0.2
163.86732	0.2
206.37083	0.2
255.23232	0.2
258.47986	0.2
265.02188	0.2
276.19720	0.2
277.21851	0.2
378.39938	0.2
529.22351	0.9
583.19928	0.2
650.84387	0.2
690.44928	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.1422
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98815	0.9
65.00336	1.3
67.62267	0.4
69.79884	3.0
78.94035	0.4
83.01403	0.9
98.19884	0.5
107.01406	3.0
108.02226	0.8
109.02955	1.0
121.02970	1.3
135.00885	0.4
140.57162	0.4
148.01665	0.8
149.02473	0.4
151.00388	9.6
163.00380	2.4
164.01207	0.5
169.01503	0.6
178.99870	4.8
187.03941	0.6
199.04025	1.0
199.71753	0.4
211.04149	0.5
226.02582	1.1
227.03577	2.0
229.04982	0.6
243.02948	6.8
244.03233	0.5
245.04556	1.0
254.02148	1.8
255.02985	22.2
256.03314	2.1
271.02454	46.1
272.02884	4.8
273.03989	0.9
283.02463	1.0
299.01932	1.1
300.02750	80.0
301.03448	33.5
302.03860	2.4
342.02859	0.4
343.04633	0.6
379.51611	0.6
392.23450	0.4
609.14728	100.0
610.15082	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	664.3197
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08750	0.1
53.99462	0.1
59.01374	0.2
61.98830	100.0
62.76169	0.1
62.98526	0.2
62.99259	0.1
67.74876	0.1
69.58051	0.2
69.58481	0.2
71.01401	0.2
75.71031	0.1
76.22277	0.1
78.95917	0.1
79.95849	0.1
87.00878	0.1
87.43918	0.1
87.47322	0.1
89.02446	0.2
101.02449	0.1
113.02464	0.1
114.60834	0.1
129.98758	0.1
143.13072	0.1
225.58899	0.1
268.67636	0.1
277.22018	0.1
278.22150	0.2
279.22409	0.1
303.06830	0.1
340.85043	0.1
343.11462	0.1
345.98737	0.1
606.64893	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.2459
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	1.1
69.84493	0.4
69.84914	1.2
71.01385	13.4
71.64513	0.2
72.00899	0.2
72.99327	0.3
78.95908	0.3
89.02451	0.4
93.03427	0.5
96.96038	0.5
97.61571	0.2
98.20586	0.3
101.02459	0.3
113.02475	0.2
115.00387	8.0
117.03452	0.3
119.05042	41.2
120.05399	1.2
120.99660	0.3
133.01445	9.9
133.02455	0.5
134.01825	0.2
134.03755	2.6
149.02589	0.2
149.06146	0.3
163.04025	100.0
164.04362	4.6
164.07088	0.3
174.31775	0.2
177.02016	0.2
178.02789	0.4
193.03348	0.4
193.05070	6.5
194.05473	0.4
279.05103	6.6
280.05444	0.4
343.84186	0.2
355.10263	0.3
467.23090	0.2
502.57553	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.3606
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.3
58.00598	2.0
59.01377	45.8
61.98823	1.9
70.88737	0.8
71.01383	42.9
71.05647	0.8
71.05994	1.7
72.01719	0.9
72.99313	4.5
73.02927	1.3
78.95897	1.9
83.01391	3.9
85.02964	7.1
87.00887	11.2
89.02446	45.9
95.01385	2.5
96.90208	0.7
97.02985	0.8
98.16256	0.7
99.00879	1.3
101.02453	21.2
111.00897	0.9
113.02452	20.0
115.04009	1.0
116.92826	0.8
119.03508	17.1
120.03744	0.7
131.03490	2.2
141.01913	1.2
143.03513	6.0
149.04562	1.8
161.04562	9.1
179.05626	22.1
180.05748	0.9
229.01430	0.8
237.56772	0.7
279.23276	100.0
280.23618	9.6
293.24872	4.3
321.24371	4.8
323.09805	27.9
324.10132	2.2
341.10873	55.5
342.11212	4.0
485.70575	1.0
603.33856	21.8
604.34247	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	664.3194
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91250	0.1
52.96694	0.1
55.97067	0.1
59.01373	0.1
61.98831	100.0
62.98525	0.2
71.01392	0.2
71.69907	0.1
75.07190	0.1
83.72129	0.1
104.78439	0.1
109.56483	0.1
113.00206	0.1
113.02435	0.1
121.10240	0.1
142.70459	0.1
162.74556	0.1
275.20117	0.1
277.21759	0.2
278.21994	0.1
343.11597	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	657.1894
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82434	0.3
57.40773	0.5
59.01364	0.8
61.87169	0.3
61.98816	0.3
69.03442	0.4
70.09856	1.3
70.74616	0.4
71.01386	1.9
73.02961	0.7
81.03449	0.4
85.02962	2.3
88.02814	0.3
89.02448	0.9
93.03461	0.6
95.01402	1.2
101.02440	0.8
108.02185	45.9
109.02997	13.4
110.03269	0.4
113.02462	0.7
121.02999	0.8
123.00909	0.9
123.04536	0.7
134.04776	0.4
135.04489	0.4
151.04028	1.2
152.01178	46.4
153.01970	19.3
154.02318	0.7
163.03981	1.2
165.01941	1.7
223.25203	0.3
315.07208	100.0
316.07556	8.3
341.10818	0.7
386.44296	0.3
436.47876	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.4327
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	0.4
59.01379	100.0
60.01714	0.8
61.98830	0.6
62.70308	0.2
66.52248	0.2
69.70506	0.2
70.23785	0.5
70.24203	0.6
78.95928	0.9
79.13885	0.2
80.76159	0.2
89.54854	0.2
92.51163	0.2
111.37498	0.2
152.99573	0.5
171.22502	0.3
201.14975	1.3
215.36958	0.2
235.77565	0.2
249.89236	0.2
260.89233	0.2
279.23117	0.4
285.25995	0.2
287.32208	0.2
299.16577	0.5
326.33054	0.2
418.32367	0.3
446.90564	0.2
541.36914	0.6
563.38751	0.3
581.40784	0.3
659.36566	0.4
660.42926	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.4327
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	0.2
59.01377	100.0
60.01708	1.0
61.98842	0.3
70.13036	0.3
70.13448	0.3
78.95918	0.4
83.05031	0.2
97.41637	0.1
108.59406	0.1
121.25796	0.1
279.23242	0.2
351.27795	0.1
379.73245	0.1
446.20847	0.1
523.36230	0.2
541.37299	0.2
563.39081	0.2
659.35693	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.4326
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.3
59.01377	100.0
60.01709	0.8
61.98816	0.6
70.17467	0.3
71.67857	0.4
78.95902	1.7
83.05069	0.4
100.80358	0.3
147.81653	0.3
152.99568	0.5
171.45732	0.3
173.03363	0.3
234.92104	0.2
261.20709	0.3
265.66553	0.3
541.36682	0.5
545.38159	0.5
548.37030	0.4
563.39148	0.9
581.39874	0.4
643.37170	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.3084
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90109	1.0
51.62519	0.8
58.00591	0.9
59.01380	13.1
61.98821	4.9
65.80831	0.9
71.01383	7.2
71.05019	2.4
73.02931	1.7
81.03403	0.7
83.01355	1.9
83.05029	2.0
85.02948	2.4
87.00882	1.4
88.98863	1.3
89.02458	3.3
95.01385	1.0
96.96028	2.5
97.02950	2.9
97.06606	2.3
98.19869	2.2
99.00892	16.1
101.02451	3.9
105.07063	1.4
109.06608	1.2
113.02456	2.8
121.06589	1.1
122.06117	0.9
123.08167	8.5
125.02437	0.8
125.09702	7.2
131.23911	0.9
137.09705	2.1
155.10797	24.4
161.04578	1.5
163.11293	8.3
167.07166	2.7
171.10211	1.6
181.12335	16.6
182.12646	1.3
183.13785	1.0
189.00378	1.2
197.11836	1.7
199.09818	1.9
199.13387	8.6
207.10245	24.7
208.10547	1.6
209.11844	1.4
225.11325	39.0
226.11546	2.3
233.11433	0.9
235.08273	1.1
243.12373	23.9
244.12741	1.6
253.09293	0.9
263.16425	1.0
333.20364	1.9
341.09720	1.0
383.84869	0.8
435.18704	1.4
461.19986	1.3
479.21237	6.8
495.25336	1.7
513.26575	2.4
577.53680	1.0
617.31873	4.8
643.29614	4.5
644.29248	1.4
661.30835	100.0
662.31201	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	663.2151
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.5
57.03446	2.0
58.00590	1.5
59.01378	30.0
60.01713	0.3
70.86366	0.5
70.99635	0.2
71.01384	20.0
71.05041	0.4
72.01725	0.3
72.99308	1.4
73.02956	0.6
78.95897	0.3
80.18019	0.2
83.01392	1.1
85.02959	3.8
87.00890	1.0
89.02449	22.3
90.02792	0.3
93.03458	0.4
95.01393	1.2
96.96052	0.3
99.00898	0.3
99.04528	0.3
101.02454	13.8
111.08165	0.3
113.02464	8.4
115.00352	0.3
119.03518	9.1
119.04966	1.5
123.04537	0.5
125.02431	0.3
125.35493	0.3
126.45502	0.2
131.03506	0.7
131.07118	0.7
133.02953	0.9
134.03716	0.3
143.03497	0.7
143.07182	0.3
149.04581	0.6
161.04533	1.7
161.08199	0.9
163.04037	1.1
163.07671	3.1
167.03572	0.2
173.08171	0.4
175.02573	0.3
177.01944	34.5
178.02284	2.2
179.05611	1.1
189.00407	0.5
191.05614	1.6
193.04933	0.4
293.12350	1.5
323.13467	100.0
324.13806	8.6
325.09396	0.4
325.13113	0.8
337.09488	0.4
339.07214	7.0
340.07635	0.9
360.69629	0.2
369.12115	0.6
400.90573	0.3
494.60181	0.3
614.13739	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.2529
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	0.4
57.01781	0.2
57.03164	0.3
57.03448	6.2
58.03786	0.2
59.01381	100.0
60.01724	1.1
70.95064	0.2
71.01385	7.6
71.05046	0.2
72.99321	0.4
73.02952	3.8
73.55746	0.2
81.03493	0.2
83.01399	2.1
85.02965	5.1
85.03477	0.4
87.00904	0.7
89.02452	1.2
93.03490	0.4
95.01402	0.5
96.96024	0.2
99.00904	1.3
99.41711	0.2
101.02457	9.3
109.02972	0.5
111.00893	0.3
113.02467	3.9
121.02980	5.8
125.02449	0.3
129.01886	0.3
131.03528	0.2
135.04568	0.5
143.03516	0.4
159.03035	0.4
161.04573	3.3
179.07153	28.7
180.07478	1.6
189.00398	0.5
191.05698	0.4
193.05077	0.3
205.03586	0.2
217.41899	0.2
229.34032	0.3
235.11871	20.6
236.12192	1.4
277.12924	9.9
277.16025	0.4
278.13266	0.8
307.08316	0.3
321.11960	0.5
341.12573	5.8
342.12656	0.5
354.47812	0.2
501.09726	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.324
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03654	1.1
55.01873	2.3
57.03433	1.5
58.00586	1.5
59.01380	40.9
61.98830	6.1
69.03468	1.9
70.52039	1.0
71.01385	37.3
71.71426	2.3
71.72111	1.0
72.99307	2.9
73.02955	6.2
81.03432	1.3
83.01393	5.2
83.05025	2.0
85.02956	7.1
87.00885	6.2
89.02455	30.2
95.01389	2.0
96.96041	1.4
97.02956	3.1
97.06586	5.0
99.00909	2.8
99.08147	1.2
101.02451	33.8
102.02770	1.1
111.00854	1.2
113.01700	2.0
113.02439	16.6
115.92027	1.0
119.03521	8.7
121.03003	1.6
121.10258	12.0
125.02464	9.0
125.06102	3.9
131.03493	1.6
143.03506	3.7
143.07162	39.6
144.07498	2.0
161.04604	9.4
167.10811	5.6
179.05618	6.7
189.31085	1.1
192.03065	2.3
195.10249	1.5
203.18028	6.8
209.11800	1.2
209.54918	1.0
221.06728	1.7
235.08253	10.1
247.17026	34.6
248.17316	2.4
253.09329	13.2
265.18073	100.0
266.18427	9.4
287.07486	1.5
305.08777	1.5
323.09787	2.0
383.95102	1.2
397.13531	93.8
398.13809	10.2
415.14563	68.3
416.14832	6.6
686.64362	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	656.1479
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.5
61.98832	21.9
65.00318	0.5
68.96683	0.3
69.54102	1.2
69.54533	1.0
89.02395	0.3
93.03471	0.9
100.57921	0.3
105.78227	0.2
107.01409	1.7
109.02968	0.4
110.33957	0.3
111.08136	0.2
116.92875	0.6
117.03461	0.3
121.02906	0.3
125.02448	0.4
126.09200	0.3
132.02161	0.4
135.00899	0.9
143.05025	0.6
147.04561	0.3
151.00415	1.8
153.01927	0.6
157.06638	0.4
159.04527	0.8
163.00366	1.4
167.04985	0.5
169.06595	0.6
171.04489	0.6
174.86667	0.3
178.99823	0.5
182.03723	0.4
183.04549	0.3
185.06099	1.5
187.04027	2.1
189.05536	0.8
195.04488	0.4
197.06026	0.8
199.04016	0.7
201.05534	0.5
205.98730	0.3
209.11877	0.8
211.04063	1.6
212.04790	0.3
213.05550	1.4
227.03494	20.6
228.03853	2.1
229.05052	8.3
230.05467	0.7
239.03510	2.0
240.04198	0.7
241.04987	1.4
243.99104	0.3
248.12839	0.9
255.02977	37.1
256.03482	5.6
257.04547	5.1
258.04861	0.6
267.03009	0.6
284.03256	55.8
285.04007	71.8
286.04391	6.3
304.15567	0.5
327.05139	0.7
376.29068	0.3
397.13712	0.3
459.70535	0.3
593.15137	100.0
594.15472	18.1
604.18774	0.3
656.38110	0.3
679.75470	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.3759
Annotation	Unknow
Peak:m/z	Relative Intensity
54.94963	0.1
55.01880	1.4
57.03446	1.4
58.00590	2.0
59.01380	40.0
60.01717	0.5
61.02958	0.2
61.98836	0.2
67.01890	0.3
68.99828	0.4
69.03454	2.5
70.44869	0.4
70.56437	0.2
70.56888	0.2
71.01385	39.0
72.01742	0.4
72.99313	3.0
73.02953	5.9
75.00876	0.8
78.95891	0.2
81.03461	1.8
83.01392	4.7
85.02957	8.0
86.00113	0.4
87.00886	9.1
87.04523	0.2
89.02451	32.7
89.78946	0.2
90.02818	0.5
91.04012	0.7
93.03488	0.5
95.01399	2.7
95.05024	0.2
97.02964	6.2
98.03324	0.2
99.00896	2.3
99.04543	0.4
99.13712	0.1
101.02453	30.8
102.02809	0.6
102.52799	0.1
103.00378	0.2
103.04030	0.4
109.02984	0.8
111.00896	0.4
111.04537	1.0
112.01672	0.2
113.02462	14.8
114.02792	0.3
115.04044	0.7
117.01940	0.2
119.03517	9.1
120.03900	0.2
121.02978	0.7
123.00867	0.3
123.04533	0.2
124.01706	0.3
125.02460	13.4
126.02771	0.4
127.04024	0.6
129.02002	0.3
131.03506	1.7
133.05081	1.0
137.02501	0.3
139.04013	1.2
141.02014	0.8
142.02676	0.2
143.03513	6.1
149.02435	0.2
149.04607	1.0
151.04007	0.2
155.03551	0.2
161.04575	7.2
162.04916	0.3
167.03534	1.1
169.05103	0.5
171.03023	0.3
179.05620	7.0
180.05986	0.3
181.05080	0.3
185.04565	0.6
199.06129	0.5
203.05676	0.3
209.04640	0.2
217.07210	1.0
219.05086	0.5
221.06665	2.2
235.08228	14.1
236.08563	0.8
237.22243	0.3
245.06680	0.7
253.09297	3.2
255.23280	100.0
256.23618	9.5
256.26364	0.4
259.08194	0.2
263.07727	1.7
269.24994	0.7
277.09366	1.1
287.07730	3.9
288.08011	0.2
297.24289	0.2
305.08755	4.5
306.09045	0.3
323.09833	1.9
361.11356	0.5
379.12436	1.1
397.13522	98.1
398.13855	8.6
398.19232	0.2
415.14572	32.6
416.14957	2.8
463.10889	0.2
470.06659	0.2
653.37610	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.3498
Annotation	Unknow
Peak:m/z	Relative Intensity
57.33526	0.9
61.98836	3.1
62.89850	0.8
69.86956	1.4
69.87365	5.0
84.02207	1.0
97.06603	7.7
107.42934	0.9
117.03497	3.2
121.85903	1.0
125.09737	1.9
125.20785	1.1
133.02934	2.2
134.03758	47.4
135.04559	2.9
149.06097	3.7
171.10301	7.8
178.02841	1.2
179.03506	2.1
184.61079	1.0
193.05067	48.9
193.12326	11.9
194.05374	3.4
211.13495	3.0
225.14989	16.2
243.15982	6.7
313.10815	37.2
314.11118	3.8
341.23340	100.0
342.23737	9.7
357.83670	1.0
444.62100	1.0
512.90875	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.3707
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	4.3
57.47722	0.5
58.00599	0.8
59.01378	47.3
60.01728	0.5
61.98838	2.4
63.34563	0.4
69.03459	1.1
71.01379	6.1
71.70159	0.7
73.02948	0.7
77.13097	0.4
78.95919	0.7
83.05019	1.0
85.02962	1.1
87.00872	0.8
89.02451	5.5
95.05029	1.0
96.99344	0.7
97.02998	0.8
97.06599	12.9
101.02440	3.7
108.88863	0.4
113.02437	2.5
116.92873	1.5
119.03525	1.0
120.45805	0.4
123.08179	6.9
125.02461	0.5
125.09740	96.9
126.10065	3.8
133.05067	0.5
141.01724	31.9
143.10800	1.4
161.04538	0.9
169.08665	2.6
179.05641	0.9
187.09769	75.4
188.10129	3.5
206.82645	0.4
211.09763	0.7
249.18584	13.5
250.18855	0.8
253.09335	2.1
255.23445	1.2
256.23703	1.3
261.13419	1.3
275.06314	0.6
277.21591	1.0
339.00372	1.2
342.48685	0.5
359.22067	0.6
376.12881	0.4
397.13559	0.8
398.13812	0.9
399.14087	1.1
405.17688	4.4
423.18744	17.0
424.19022	1.4
493.31998	0.8
655.37067	100.0
656.37372	25.3
668.07928	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	656.1479
Annotation	Unknow
Peak:m/z	Relative Intensity
56.45952	0.2
57.03434	0.5
57.40220	0.2
59.01380	0.6
61.98829	22.1
63.02395	0.4
65.00308	0.4
65.05600	0.2
71.57587	0.2
73.02941	0.4
83.01410	0.4
85.02972	0.2
93.03474	1.0
101.02458	0.5
107.01392	1.3
109.02983	0.7
116.92872	0.8
117.03454	0.3
119.01378	0.3
119.05032	0.3
120.01284	0.5
121.02981	0.6
125.02442	0.4
126.09261	0.9
132.02211	0.6
135.00894	1.1
137.02400	0.4
141.53871	0.2
143.05029	0.7
151.00380	2.2
153.01927	0.4
157.06612	0.4
159.04474	0.8
161.02531	0.3
161.04565	0.2
163.00395	1.8
164.01047	0.3
165.01898	0.2
165.88831	0.2
167.05046	0.3
169.01442	0.2
169.06596	0.7
171.04494	0.5
173.02394	0.2
174.03290	0.5
177.56894	0.2
178.99928	0.4
183.04568	0.5
185.06122	1.4
187.03976	2.0
189.00291	0.3
189.05588	1.5
190.61792	0.2
191.05656	0.3
193.05035	0.3
193.91402	0.2
195.04532	0.3
196.05360	0.3
197.06078	0.6
199.03998	0.8
201.05583	0.4
209.11847	1.5
211.03975	1.8
212.04619	0.3
213.05618	1.2
214.02603	0.2
214.06030	0.3
214.63049	0.2
215.03323	0.4
217.04926	0.2
223.04065	0.2
227.03493	21.3
227.12787	0.3
228.03908	1.9
229.05063	8.5
230.05345	0.8
239.03511	1.6
239.11891	0.2
240.04199	0.7
241.04961	1.1
243.02982	0.4
248.12926	1.6
255.02969	39.0
256.03513	5.6
257.04523	5.5
258.04871	0.3
267.02936	0.7
283.02475	0.3
284.03253	57.5
285.03998	70.6
286.01157	0.4
286.04379	6.9
304.15518	1.3
327.05109	0.9
397.13480	0.5
410.18484	0.3
415.14581	0.3
466.20871	0.8
593.15112	100.0
594.15479	18.9
656.36633	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.3759
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.6
56.26729	0.1
57.03445	1.2
58.00311	0.2
58.00592	2.6
59.01378	43.7
60.01709	0.5
60.04042	0.1
67.01898	0.2
67.50218	0.1
68.99818	0.5
69.03458	2.4
69.03811	0.2
69.82530	1.0
70.03829	0.1
71.01383	39.8
72.01707	0.8
72.99307	2.9
73.02949	6.2
74.03272	0.1
75.00882	0.9
81.03465	1.6
82.83701	0.1
83.01391	4.7
83.05031	0.2
85.02956	8.7
86.00108	0.4
86.03288	0.2
87.00883	9.9
87.04520	0.3
87.54607	0.1
89.02450	34.4
90.02786	0.6
91.03990	0.7
92.28658	0.1
93.03470	0.5
94.87836	0.1
95.01400	2.8
95.05041	0.4
97.02960	7.6
98.03299	0.2
99.00887	2.5
99.04529	0.6
100.49706	0.1
101.02454	33.2
102.02787	0.6
103.00391	0.4
103.04028	0.4
109.02961	0.7
111.00899	0.8
111.04544	1.4
112.01680	0.3
113.02460	15.6
114.02779	0.5
115.04020	0.9
119.03513	10.0
120.03863	0.3
121.02950	0.8
123.00890	0.4
123.04562	0.3
124.01688	0.4
125.02458	14.1
126.02792	0.5
127.04028	0.5
129.01923	0.2
131.03510	2.1
133.05081	1.3
135.04539	0.2
137.02444	0.4
139.00368	0.1
139.04030	1.1
141.01976	0.7
141.05585	0.2
142.02675	0.2
143.03514	6.3
143.04639	0.3
144.03857	0.1
145.05051	0.2
149.02443	0.4
149.04575	1.2
151.03990	0.3
155.03558	0.2
157.05060	0.4
159.02928	0.1
161.04576	7.9
162.04880	0.2
163.04018	0.2
167.03496	0.8
169.05106	0.6
171.03053	0.3
179.05629	7.1
180.06036	0.2
181.05151	0.2
185.04550	0.6
199.06128	0.5
203.05681	0.3
217.07199	1.0
219.05121	0.4
221.06670	2.5
224.84448	0.1
235.08220	14.6
236.08656	0.8
236.10728	0.2
237.22186	0.3
245.06557	0.7
253.09291	4.0
254.09532	0.2
255.23280	100.0
256.23618	9.7
263.07663	1.5
269.24881	0.8
277.09198	1.1
287.07724	4.1
288.08069	0.2
294.47705	0.1
297.24426	0.2
305.08765	5.1
306.09058	0.3
323.09833	1.8
324.10263	0.2
361.11456	0.5
379.12469	1.1
397.13501	95.7
398.13858	8.4
398.19257	0.3
415.14557	33.5
416.14908	2.9
596.63348	0.1
653.37762	1.0
654.38062	0.2
656.96533	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	651.3245
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	2.5
58.00591	1.0
59.01377	16.2
60.70377	0.6
61.98813	2.7
67.01879	0.6
67.51966	0.6
69.03458	2.4
70.43017	0.6
71.01382	25.1
71.05017	0.7
71.24368	1.8
72.99294	1.4
73.02956	5.1
81.03455	1.8
83.01361	2.1
83.05025	1.4
84.02160	1.8
85.02955	9.4
87.00876	2.7
89.01941	0.9
89.02451	10.5
93.03439	0.9
95.01379	2.3
95.04977	1.0
96.95993	1.0
97.02953	3.6
97.06588	3.8
99.00885	2.2
99.04533	8.8
101.02455	9.3
102.50639	0.6
110.03764	4.3
111.04526	2.9
113.01722	1.1
113.02458	10.6
116.92879	1.9
119.03493	3.0
121.10245	2.7
123.00836	0.8
123.04520	0.8
123.08185	1.2
124.01664	1.4
125.02456	7.2
125.09719	1.9
127.00367	0.7
127.11291	2.0
131.03500	0.7
137.09737	0.8
139.48466	0.7
143.03542	1.1
155.10791	1.2
161.04535	2.5
161.09610	0.6
165.12848	1.0
167.14375	0.9
167.23729	0.7
171.10283	26.2
172.10577	1.5
179.05498	1.6
179.10797	5.3
183.13875	2.8
185.11806	1.3
185.63383	0.7
189.00391	1.1
191.05713	0.7
193.12364	1.0
197.11830	4.1
201.11261	1.1
209.11804	1.6
211.13394	14.1
212.13728	1.9
221.11813	3.2
229.14421	14.3
230.14726	1.3
235.13335	2.3
239.12881	2.1
253.14374	2.6
255.19786	0.8
255.92976	0.7
261.12518	0.7
272.08667	0.6
291.19626	3.5
309.20764	1.0
327.21756	63.1
328.22089	6.4
363.22076	0.9
369.22754	1.8
373.09119	1.0
399.23856	5.1
429.24966	7.5
430.25137	1.0
471.25967	5.5
489.27014	16.6
490.27655	1.1
651.32373	100.0
652.32874	25.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.34
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	2.6
58.00577	2.0
59.01373	15.8
59.57988	0.9
61.52087	0.9
61.98834	5.5
69.03451	2.7
69.58553	5.2
69.58967	3.4
71.01382	22.3
73.02951	12.5
78.95904	8.1
81.03429	1.3
83.01384	8.7
83.05020	2.3
85.02959	5.5
87.00889	3.3
89.02443	10.3
95.01396	1.5
96.95985	1.7
97.02946	2.5
99.00909	6.1
99.04526	7.0
99.08131	2.7
99.73817	1.2
101.02453	11.1
111.04519	1.6
113.02454	9.5
116.92896	1.8
119.03512	2.7
124.01675	1.2
125.02464	6.7
127.00385	13.3
127.11263	1.6
135.68057	1.2
137.28412	0.9
139.11281	1.1
144.82253	1.2
151.13664	1.1
155.14339	1.0
161.04552	2.9
171.00626	4.1
171.10271	22.9
181.12343	7.8
183.13835	3.1
189.00432	17.6
199.13426	4.0
211.13387	19.5
212.13676	1.4
229.14452	17.1
230.14810	1.3
235.13492	1.0
253.14426	2.1
293.21283	1.8
311.22061	1.3
329.23315	65.9
330.23776	4.9
371.24240	1.9
390.93134	1.3
401.25632	2.5
431.26349	6.0
473.27582	3.8
491.28537	12.5
492.28809	2.4
569.37628	1.3
606.28546	1.1
609.18225	1.4
653.33929	100.0
654.34442	19.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	648.34
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03457	0.3
59.01387	1.2
59.33947	0.3
61.98831	100.0
66.05952	0.3
71.33134	0.5
78.95932	0.3
79.64989	0.2
178.90076	0.2
193.05089	2.2
222.01512	0.2
338.61169	0.3
339.85648	0.3
574.15704	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.2368
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37348	0.3
55.01862	0.5
57.03445	0.8
58.00591	1.7
59.01380	36.8
60.01709	1.5
61.01798	0.5
61.98824	0.6
71.01386	24.4
71.68739	0.4
72.01714	1.1
72.99328	2.1
73.01801	0.5
73.02972	0.8
83.01400	1.3
85.02964	3.8
87.00884	1.1
89.02454	25.4
90.02788	1.0
91.02850	0.6
95.01407	1.8
96.96017	2.4
96.96964	0.4
99.00924	0.4
101.02454	17.4
102.02804	0.7
113.02466	9.7
114.02824	0.9
116.92868	0.8
119.03519	11.6
119.05016	6.5
120.03865	0.7
125.57763	0.3
131.03494	1.0
133.01419	0.9
135.04521	0.6
143.03534	1.2
149.04578	1.0
161.04582	0.7
161.08159	0.7
163.04018	7.9
179.03481	0.6
179.05641	1.0
191.05618	0.8
323.13486	100.0
324.13828	18.5
325.09485	1.1
325.14005	11.4
326.14420	0.5
396.09915	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.3449
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03656	0.6
55.01870	1.5
57.03434	1.1
58.00586	1.9
59.01379	34.4
59.19942	0.5
60.29855	0.5
61.98815	2.6
69.03447	2.0
69.87650	1.6
69.88064	1.8
71.01384	31.1
72.01689	0.7
72.99307	1.7
73.02943	6.5
75.00871	1.1
81.03463	1.1
83.01396	5.5
85.02960	7.7
87.00886	6.5
89.02451	24.8
91.04037	0.6
95.01403	2.0
95.05035	0.7
97.02965	4.7
98.19960	0.8
99.00890	1.6
101.02454	27.9
110.00481	0.5
111.04525	1.0
113.02468	14.6
115.04006	0.7
119.03507	7.3
123.00771	0.5
123.52905	0.6
125.02456	9.4
131.03514	1.6
133.05051	0.9
139.04056	0.9
141.01971	0.6
142.90948	0.6
143.03523	5.6
145.02921	0.8
149.04546	0.6
161.04558	8.7
167.03571	0.6
179.05638	4.3
189.00478	0.6
199.06148	1.1
221.06635	1.6
233.19124	1.7
235.08234	11.9
244.84326	0.6
245.06633	0.8
251.20155	100.0
252.20506	8.4
253.09283	8.3
263.07797	1.4
287.07758	2.0
296.68399	0.6
305.08652	2.7
323.09802	1.6
379.12646	1.0
397.13513	87.2
398.13928	6.9
415.14554	33.0
416.15033	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	649.3448
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.6
57.03445	0.9
58.00592	1.9
59.01377	33.0
60.01712	0.4
61.98827	0.6
68.99830	0.3
69.03455	1.5
71.01384	29.4
72.01711	0.4
72.99306	2.1
73.02949	6.0
74.03268	0.2
75.00872	0.6
81.03477	1.1
83.01389	6.0
83.05032	0.6
85.02956	7.3
85.03474	0.3
86.00127	0.2
87.00882	6.9
87.04507	0.3
89.02449	23.6
90.02812	0.2
91.04013	0.2
91.32915	0.2
93.03476	0.2
95.01406	2.2
97.02956	3.9
98.20671	0.6
98.40008	0.2
99.00888	1.8
99.04526	0.3
101.02449	27.1
102.02824	0.7
109.02962	0.3
111.00896	0.6
111.04526	0.8
112.01705	0.2
113.02459	15.4
114.02795	0.5
115.03994	0.5
119.02673	0.4
119.03512	7.1
121.02968	0.4
123.00915	0.2
123.04524	0.2
125.02459	9.8
126.02802	0.3
127.04028	0.4
129.01930	0.3
131.03493	1.8
133.05090	1.2
137.02402	0.4
139.04022	0.8
141.01926	0.4
143.03514	4.8
145.05098	0.5
149.04555	0.8
161.04570	9.9
162.04919	0.4
167.03558	0.5
169.05083	0.5
179.03413	0.2
179.03824	0.2
179.05623	4.2
199.06145	0.4
203.05510	0.4
217.07118	0.6
219.05235	0.2
221.06679	1.4
229.78639	0.2
233.19081	1.6
235.08206	11.0
236.08568	0.5
245.06647	0.7
251.20140	100.0
252.20473	9.0
253.09258	8.7
254.09598	0.3
256.54843	0.2
263.07510	1.0
265.21802	0.3
277.09299	0.5
287.07700	2.3
288.08163	0.4
295.10278	0.2
305.08755	2.5
306.08853	0.2
323.09796	1.4
324.10272	0.2
379.12488	0.8
397.13498	83.7
398.13858	7.1
415.14563	33.1
416.14899	2.9
649.34393	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.3287
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38695	0.1
53.18816	0.1
55.01876	1.8
57.03445	1.1
58.00591	2.2
59.01377	38.2
60.01706	0.4
61.98824	0.6
65.03923	0.1
67.01883	0.2
68.99816	0.5
69.03455	1.7
69.61502	0.1
70.79651	0.2
70.80001	0.2
71.01384	39.3
72.01727	0.6
72.99312	2.9
73.02950	6.8
75.00883	0.8
77.09810	0.1
81.03466	1.4
83.01391	8.6
83.05044	0.9
84.01719	0.2
84.02168	0.2
85.02956	9.8
86.00104	0.4
87.00883	7.1
87.04533	0.2
89.02450	28.1
90.02783	0.4
91.04004	0.7
93.03482	0.2
95.01392	3.4
95.05039	0.3
96.01727	0.2
97.02964	4.6
97.06578	0.3
99.00893	2.1
99.04512	0.4
101.02453	36.4
102.02767	0.8
103.00387	0.4
103.04024	0.6
107.05029	0.1
109.02983	0.4
111.00900	0.7
111.04527	1.1
112.01665	0.3
113.02459	19.8
114.02779	0.5
115.04058	0.8
119.03510	7.7
120.03814	0.2
121.02950	0.5
123.00934	0.1
123.04515	0.3
124.01694	0.4
125.02460	11.3
126.02798	0.4
127.04044	0.3
129.01944	0.7
131.03505	2.4
133.05075	1.3
137.02438	0.3
139.04005	0.8
141.01923	0.4
141.05554	0.1
142.02745	0.1
143.03514	6.6
144.03825	0.1
145.05072	1.0
149.02423	0.2
149.04567	1.0
151.04018	0.2
151.28108	0.1
155.03580	0.2
157.05083	0.3
159.02904	0.1
161.04568	16.6
162.04890	0.4
167.03476	0.6
169.05034	0.5
177.16461	0.3
179.05623	5.5
180.06012	0.2
181.05186	0.2
185.04530	0.3
199.06111	0.6
203.05678	0.3
205.19600	1.4
206.19949	0.2
209.04550	0.1
217.07201	0.5
217.58813	0.1
219.05141	0.2
221.06654	1.5
223.04245	0.1
231.17511	1.4
233.06728	0.2
235.08214	13.5
236.08524	0.6
245.06656	0.8
247.17094	0.6
249.18575	100.0
250.18921	9.8
253.09270	14.4
253.11314	0.2
254.09613	0.9
263.07666	1.1
263.20084	0.3
277.09253	0.7
287.07748	2.1
288.08124	0.2
295.10382	0.3
305.08765	2.2
306.09131	0.2
323.09787	1.7
379.12463	0.9
397.13495	95.6
398.13837	9.2
398.19257	0.3
415.14554	36.9
416.14908	3.6
647.33038	0.8
648.33923	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.3079
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	1.2
61.98832	9.3
61.99158	0.5
70.63833	0.7
78.95890	0.4
84.84119	0.2
97.01890	0.2
98.19845	0.2
105.07110	2.0
107.05038	1.6
119.53813	0.2
131.05048	1.1
147.04546	0.3
149.02437	0.8
149.06090	7.8
149.07274	0.4
175.04018	1.4
177.05597	0.6
193.05061	100.0
194.05403	5.3
205.05156	0.2
235.06129	0.8
419.75558	0.2
587.28992	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.3294
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00257	0.2
55.01878	2.0
57.03452	1.4
58.00594	1.9
58.10744	0.2
59.01377	46.0
60.01709	0.4
67.01871	0.2
68.99815	0.3
69.03458	1.6
71.01384	36.8
72.01734	0.6
72.99304	2.6
73.02947	7.4
75.00869	0.5
81.03461	1.5
83.01392	7.6
83.05039	0.7
84.44296	0.1
85.02955	9.7
86.00117	0.3
87.00881	7.8
87.04481	0.2
89.02450	30.8
90.02763	0.6
91.04005	0.9
93.03436	0.4
95.01392	3.1
97.02958	5.0
97.06589	0.2
98.03235	0.2
99.00891	2.0
99.04517	0.3
101.02452	34.9
102.02778	0.8
103.04034	0.7
109.02961	0.5
111.00897	0.7
111.04549	1.1
112.01701	0.3
113.02458	18.2
114.02791	0.5
115.04033	0.7
119.03516	8.8
121.02990	0.5
122.96479	0.2
123.04501	0.3
124.01727	0.3
125.02463	11.2
126.02805	0.3
127.04026	0.5
129.01961	0.3
131.03525	2.2
133.05098	1.4
138.30499	0.2
139.04050	1.0
141.01921	0.5
143.03519	6.0
144.03807	0.3
145.05103	1.0
149.02522	0.2
149.04576	0.9
151.04086	0.3
157.05121	0.3
161.04568	14.7
161.46912	0.1
162.04938	0.5
167.03474	0.9
169.05083	0.7
177.16473	0.5
179.05614	5.3
180.05995	0.2
181.05077	0.2
185.04590	0.2
199.06139	0.6
203.05597	0.4
205.19519	1.0
217.07202	0.7
221.06696	1.9
228.48503	0.2
231.17508	1.1
235.08215	13.6
236.08609	0.8
245.06731	0.8
246.07031	0.2
247.16969	0.6
249.18573	98.6
250.18910	9.6
253.09276	12.7
254.09700	0.8
263.07578	1.3
263.20184	0.2
277.09256	0.7
287.07718	2.5
288.07913	0.2
291.19458	0.2
295.10425	0.3
305.08759	2.4
323.09732	1.5
361.11502	0.3
379.12448	0.9
397.13501	100.0
398.13824	9.2
415.14551	39.4
416.14911	3.7
597.81500	0.2
620.07825	0.2
647.32611	0.5
648.32758	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.3136
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84038	1.1
55.55153	1.1
56.83474	0.9
56.97574	1.0
59.01379	8.3
61.98833	6.8
71.01382	8.2
71.57714	1.9
73.02948	2.6
81.79208	0.9
83.01370	1.7
83.05031	1.8
85.02944	1.5
87.00883	1.9
89.02448	3.4
96.95992	1.2
97.06585	0.9
98.12324	1.1
99.00938	1.4
101.02475	5.0
113.02448	3.1
117.75397	1.0
119.03531	1.3
125.02471	1.2
134.03790	1.4
135.08075	1.6
137.09702	4.4
153.05621	1.9
155.10791	43.6
156.11124	2.3
161.04680	1.5
165.12851	7.0
171.10278	1.3
179.07199	2.6
181.08777	2.7
183.13905	100.0
184.14221	6.7
189.00409	1.3
197.08107	1.2
199.09755	2.9
209.11826	4.6
211.13400	12.7
227.12901	7.3
253.09239	3.7
281.53137	1.0
313.10767	1.4
384.26611	1.2
417.17026	1.0
435.18872	1.2
445.21024	1.3
463.21875	5.0
483.25693	1.6
509.46732	1.0
511.10602	1.2
601.32172	7.9
627.30347	5.2
628.30859	1.8
645.31396	97.5
646.31848	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	645.3657
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38824	0.3
50.39071	0.2
57.03448	13.5
59.01379	100.0
60.01717	0.9
61.32378	0.3
61.50273	0.2
61.98846	1.3
65.09907	0.2
65.53510	0.3
71.37946	0.6
78.09635	0.3
94.00191	0.3
97.82237	0.3
123.67035	0.3
163.07666	36.8
164.07997	1.8
205.25296	0.3
277.21725	2.7
291.23267	0.6
365.84882	0.3
369.00485	0.3
371.95505	0.3
373.72287	0.3
461.02811	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.3879
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	0.5
61.80656	0.1
71.01385	0.3
73.02927	0.3
74.02450	0.2
76.08803	0.1
81.03487	0.3
83.01397	0.2
83.05042	0.9
85.02946	0.3
89.03966	2.7
93.03444	0.1
101.02443	0.2
106.04260	0.4
113.02475	0.3
117.03476	9.5
118.03811	0.5
121.02918	0.2
127.00353	0.3
133.02937	0.1
134.03755	90.2
135.03065	0.3
135.04074	3.5
137.02428	0.7
139.04021	0.2
149.06093	6.7
151.55254	0.2
165.05597	0.2
178.02753	1.0
179.03455	0.1
189.00443	0.6
191.05568	0.4
193.05060	100.0
194.05389	5.1
224.17622	0.3
225.16029	0.9
301.02997	0.2
313.68942	0.1
333.23026	0.3
433.31592	0.4
451.32867	17.9
452.33212	2.3
609.14307	0.2
645.28442	0.2
645.38489	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.3141
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	0.3
57.03454	0.4
58.00601	0.3
59.01377	9.8
60.01717	0.2
61.98830	0.9
64.06982	0.2
69.02569	0.2
69.03474	0.2
69.56038	1.1
69.56468	0.7
71.01382	3.5
71.05013	0.2
72.99314	0.3
73.02946	1.1
80.02690	1.4
80.05073	0.2
81.03475	1.6
83.01394	1.6
83.05033	12.9
84.02182	0.9
85.02943	1.0
87.00886	0.7
88.98807	0.2
89.02448	2.0
90.80784	0.2
93.03457	0.4
95.01430	0.4
95.05053	0.8
96.96046	0.6
97.02975	0.2
97.06611	0.7
98.20609	0.4
99.00887	0.6
99.02022	0.2
101.02454	2.8
106.06580	0.4
107.05060	0.4
108.04561	0.5
109.06613	2.0
113.02477	1.5
116.92881	0.2
119.03527	0.7
121.06584	0.3
122.06143	1.3
123.08250	0.3
125.06097	0.9
125.09721	0.4
127.00419	0.5
131.03548	0.3
132.04512	0.3
134.06215	0.2
135.08177	3.5
137.09712	1.1
137.63319	0.2
138.05583	0.3
143.03535	0.4
143.07141	1.0
144.98021	0.2
145.05013	0.3
150.05646	0.6
152.07162	0.2
161.04546	1.1
163.07646	0.9
163.11276	3.2
164.11649	0.3
165.12880	1.9
166.11852	0.2
171.10277	2.3
179.05562	0.6
180.06667	0.7
181.08719	44.0
182.09076	2.7
183.10300	0.2
189.00400	0.9
191.05649	0.5
191.10812	1.2
199.09789	4.6
199.13406	0.4
209.11835	100.0
210.12180	6.9
213.10445	0.5
219.10294	0.4
221.12016	0.2
225.11281	0.2
227.12878	14.7
228.13205	1.0
228.25267	0.2
235.08192	2.2
239.08206	0.2
239.11842	0.3
241.09770	0.7
241.13443	0.4
247.13347	0.9
249.15149	0.2
253.09288	10.0
254.09503	0.5
263.07883	0.3
265.09689	0.2
265.14352	0.2
267.11459	0.2
271.10849	0.3
277.09949	0.7
283.10873	0.4
285.12451	0.9
291.11404	0.5
292.12143	0.8
301.12033	0.3
315.13477	1.3
317.14758	0.2
329.11310	0.3
329.17746	0.3
345.94443	0.2
373.20190	0.5
374.14896	0.3
391.21069	0.3
399.15811	0.3
417.17459	0.3
419.18549	0.4
445.20679	1.1
446.16867	0.4
458.17310	0.7
463.16882	0.4
464.17917	0.7
468.17566	0.3
478.19714	1.4
490.19650	0.7
522.19269	0.5
539.22809	0.3
569.23779	0.6
583.21844	0.6
601.25446	0.9
602.25940	0.2
609.29291	1.1
613.23035	0.4
627.30237	0.6
645.22052	1.6
645.29517	0.3
646.21777	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2782
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	4.7
61.98824	3.9
69.16954	0.8
70.61072	2.8
71.01386	2.4
73.02953	2.0
78.95902	0.8
80.05059	1.6
82.65169	0.7
83.01398	1.1
94.06644	5.3
96.96040	1.9
98.95506	0.8
99.00922	1.2
101.02433	0.9
104.05022	1.6
105.05860	0.9
106.06643	2.2
107.03769	7.9
107.05007	0.9
115.00352	1.5
120.04593	1.5
120.08199	22.2
121.02905	0.8
121.05334	1.7
121.08535	1.0
122.06135	87.6
123.06459	3.9
124.07687	2.7
127.00410	2.2
132.04549	2.2
133.02942	1.0
134.03786	0.9
134.06129	8.6
135.04550	4.2
136.07690	0.9
139.02759	2.4
150.05615	1.5
152.07185	100.0
153.07530	5.9
158.02533	1.0
160.04051	1.4
161.04698	0.8
162.05617	1.1
164.03575	1.5
164.07153	1.6
167.05888	0.8
174.05594	1.8
189.00432	2.1
190.05153	4.2
191.05585	1.5
197.11720	1.0
198.12016	1.0
207.10228	1.1
209.11879	2.5
210.07922	1.2
211.08841	1.0
211.12334	1.5
213.05580	0.7
213.10376	0.9
221.10849	1.0
223.08731	10.5
224.09447	3.8
225.10358	2.8
233.04559	1.3
233.10707	1.1
235.08534	1.2
235.12399	2.8
236.09633	2.3
237.10320	13.3
238.11037	5.9
239.11861	10.6
241.05006	2.4
245.12917	4.7
249.06725	2.3
249.10394	1.8
250.07344	2.4
251.08234	3.5
251.11829	8.7
252.12572	1.6
253.09651	1.5
253.13367	1.3
256.07361	0.9
263.08212	5.4
263.11804	2.0
264.08957	10.9
265.09775	8.6
267.11356	2.7
269.08301	0.8
269.12970	1.0
271.10959	4.1
276.08932	2.4
277.09811	4.2
278.10529	5.5
279.11365	40.8
280.11902	5.7
281.12830	2.6
282.13239	0.8
283.10718	1.7
285.12463	4.1
287.14130	0.8
291.11383	11.4
292.12033	3.4
293.09695	0.8
293.12927	1.7
295.10959	4.6
295.13873	0.9
297.11816	1.1
305.09442	1.6
311.14001	1.1
313.11685	2.8
323.10330	9.2
324.11014	1.8
325.11923	4.8
339.10007	1.5
341.11438	1.1
353.10239	1.6
355.12939	3.5
359.16046	1.1
360.17245	3.5
372.12927	0.9
372.17154	1.4
373.17932	0.9
374.18573	1.0
376.20575	1.0
384.17130	0.9
386.18988	0.9
388.16498	2.4
389.16986	1.0
400.20413	1.6
402.18222	17.6
403.18573	3.1
404.19745	2.8
411.15915	0.9
414.18179	1.5
416.20398	3.8
429.16769	0.9
430.17578	1.3
431.18246	0.9
443.18375	1.2
444.19180	15.8
445.20029	3.8
446.17133	1.6
448.18811	11.8
449.19165	1.5
460.18607	2.4
461.19812	2.6
471.17932	1.9
488.18195	23.9
489.18900	14.3
490.19400	2.8
508.20471	0.8
520.20825	47.2
521.21417	9.6
523.27307	1.3
525.24884	3.6
553.23816	1.0
567.26196	32.8
568.26526	6.4
570.24677	1.1
583.25861	1.1
605.37408	0.9
611.25208	99.2
612.25568	22.7
643.27881	52.1
644.28290	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	639.3607
Annotation	Unknow
Peak:m/z	Relative Intensity
55.56580	1.0
57.03436	1.3
58.00592	2.6
58.21186	0.8
59.01379	54.7
61.98842	2.1
71.01385	46.9
71.59065	1.7
71.59396	0.9
72.99318	3.2
73.02966	1.7
75.89204	0.8
78.95901	1.8
79.83692	0.8
80.96522	8.4
83.01404	4.9
83.63536	0.9
85.02954	8.0
85.49989	0.9
87.00882	11.5
88.10250	0.8
89.02451	55.3
94.98108	1.9
95.01386	2.2
97.03007	1.2
99.00921	1.5
101.02454	24.4
113.01732	1.6
113.02468	22.3
115.04042	1.2
116.92852	1.7
119.03519	19.6
125.02430	1.9
131.03485	3.5
143.03502	7.2
148.99176	1.0
149.04584	1.5
152.98654	1.1
161.04581	10.6
164.98668	1.2
171.10287	41.4
172.10620	2.1
178.05429	0.8
179.05623	19.1
194.93755	1.0
197.98517	0.9
220.97409	0.9
225.00735	1.8
247.16185	0.8
249.18570	15.2
250.18848	1.6
253.09366	1.6
255.23294	100.0
256.23618	10.9
269.24857	7.8
277.21771	0.9
279.23175	1.0
297.24442	4.3
323.09833	34.6
324.10095	3.1
327.25293	1.5
341.10898	55.1
342.11212	3.5
343.01212	2.8
357.73990	0.9
490.54224	1.1
555.28485	17.5
557.28699	3.9
579.33881	36.1
580.34070	6.0
640.26221	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	642.3352
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	0.3
61.98830	100.0
64.48003	0.2
70.46974	0.8
74.23269	0.2
78.95934	0.5
95.69307	0.2
96.97088	0.2
99.48148	0.2
131.28177	0.2
151.00389	0.2
152.99570	0.3
165.96603	0.2
171.10260	0.2
191.91953	0.2
256.23889	0.3
523.65656	0.4
557.28613	0.6
570.14490	0.3
642.26672	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2421
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95053	0.2
56.40163	0.3
59.01376	5.0
60.79356	0.3
61.98820	2.0
67.01897	0.6
69.40129	2.9
71.01376	1.2
73.02939	0.7
83.01388	0.9
85.02949	0.4
89.02434	0.4
90.40744	0.3
95.05042	0.6
95.37608	0.3
96.96006	1.3
98.19939	0.6
98.47885	0.3
99.00854	0.6
101.02437	1.0
101.07766	0.3
104.05077	0.6
107.03770	1.1
108.04525	0.5
109.06581	0.4
113.02467	0.8
115.21014	0.3
119.03506	0.4
119.79459	0.3
120.04568	2.0
121.05315	1.5
121.48905	0.3
122.06136	10.5
123.06464	0.6
127.00393	0.9
132.04570	15.8
133.04927	0.8
134.06128	2.3
135.06891	1.0
136.07703	10.9
137.07967	0.3
139.02769	0.4
142.21761	0.3
144.04558	2.2
146.06088	0.5
152.07191	13.9
153.07530	0.4
161.02467	0.4
161.07217	0.9
162.05598	2.9
163.05879	0.3
171.11812	1.7
172.07684	0.3
176.03543	19.0
177.03812	0.7
179.07234	0.3
181.08707	0.4
186.09196	0.4
188.03549	2.7
189.00475	1.9
189.10248	0.4
191.05544	0.5
198.09271	1.3
199.09990	1.7
207.10271	0.5
209.11803	1.0
212.10768	0.3
213.06767	0.4
214.07610	0.6
214.12376	10.7
215.12653	1.1
225.11234	1.0
226.07425	0.7
227.08202	1.6
227.12785	0.6
228.08981	0.8
229.09811	4.5
230.10010	0.3
230.11906	3.6
239.11896	0.6
241.09795	7.3
242.10591	13.8
243.10901	1.2
253.09412	0.4
255.11456	0.8
256.12122	0.6
257.12936	73.8
258.13284	6.2
274.09326	0.3
283.10974	2.1
297.12347	1.7
300.11432	0.3
301.11929	100.0
302.12244	8.7
341.11432	41.3
342.11713	4.4
494.71057	0.4
527.23035	0.7
557.27496	0.3
599.25220	4.0
600.25580	1.0
625.28778	0.5
643.29596	1.1
646.96906	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.163
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83059	0.2
58.02978	0.4
58.15849	0.2
59.01384	0.4
70.02965	0.4
71.01386	11.5
79.37225	0.2
89.02457	0.4
93.03468	0.2
96.96030	0.4
101.02470	0.3
115.00389	6.8
119.05042	40.1
120.05368	2.4
133.01448	7.1
147.04485	1.0
149.02367	0.2
155.49405	0.2
163.04024	100.0
164.02966	0.3
164.04349	5.0
164.07170	2.2
193.05048	0.6
206.08232	5.7
208.19650	0.2
220.95459	0.2
229.71234	0.2
279.05099	6.6
280.05392	0.5
296.86484	0.2
355.10406	0.3
591.26929	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	636.2883
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04630	0.1
58.27441	0.1
59.01373	0.1
61.98829	100.0
62.98526	0.2
69.32961	0.9
69.52561	0.1
71.01389	0.1
91.11259	0.1
98.20609	0.2
101.02460	0.1
109.18973	0.1
233.24321	0.1
249.18704	0.1
250.18950	0.1
341.11020	0.1
341.70544	0.1
342.34140	0.1
343.11514	0.1
470.92615	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	636.2885
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56918	0.1
59.01384	0.1
61.98829	100.0
62.98532	0.2
69.40305	0.1
69.40645	0.8
71.01383	0.1
86.33296	0.1
89.02440	0.1
117.17774	0.1
202.65401	0.1
206.98097	0.1
212.69386	0.1
249.18542	0.1
250.18925	0.2
251.19176	0.1
268.88412	0.1
561.94843	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	637.1789
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	0.6
59.01380	10.4
61.98835	3.1
62.10300	0.4
70.64983	0.9
70.65350	1.0
71.01392	6.3
72.99292	0.4
73.02952	2.2
78.95885	0.6
81.03461	0.9
83.01395	1.5
83.05057	2.1
85.02962	1.8
87.00908	0.6
89.02437	2.1
96.96005	1.5
99.00867	0.7
99.92580	0.9
101.02458	4.6
113.02462	2.8
114.93415	1.2
115.00411	0.9
116.92872	14.0
117.01900	0.5
117.92867	1.0
118.98104	0.8
119.03511	1.0
121.02973	100.0
122.03312	3.6
125.02473	0.6
131.03481	0.5
143.03514	2.0
161.04584	1.9
189.00424	1.2
191.05678	0.5
221.06590	1.0
243.17165	1.4
263.07626	1.2
283.08255	7.2
284.08987	0.7
323.09750	0.7
358.26331	0.5
365.10736	0.7
427.12119	0.7
429.14014	0.6
507.73862	0.5
533.16479	1.7
551.17664	10.6
552.18060	1.5
582.95844	0.4
593.18585	4.3
594.19312	0.6
629.92468	0.5
637.28326	0.5
637.44141	6.2
637.94379	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	633.314
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	1.0
57.03436	2.0
58.00588	2.3
59.01378	42.3
61.98817	1.5
62.78374	0.6
69.03437	2.0
71.01384	48.0
72.01693	0.7
72.99309	2.4
73.02945	11.3
75.00885	1.6
75.91639	0.6
80.96500	0.7
81.03474	0.7
81.27469	0.6
83.01387	11.7
83.05054	0.8
84.90436	0.7
85.02956	13.3
87.00883	57.8
88.01247	1.0
89.02451	40.8
95.01405	3.9
97.02956	2.5
97.06592	0.9
99.00899	2.6
101.02453	28.9
111.00915	1.4
113.02460	34.3
115.04011	1.9
117.01983	1.0
119.03522	11.1
125.02458	2.6
125.06089	1.8
125.28813	0.7
129.01965	2.3
131.03503	2.7
139.07640	1.8
141.01950	3.7
143.03543	9.0
149.04510	1.3
159.02994	1.3
161.03282	1.1
161.04575	18.0
168.97714	0.6
179.04137	1.2
179.05634	15.9
227.17950	1.7
231.17458	1.6
232.67860	0.6
233.19077	0.8
245.19138	7.3
249.18582	100.0
250.18915	8.7
263.20151	15.8
264.20560	1.4
273.18503	4.3
278.62872	0.7
291.19669	13.1
292.19995	1.7
303.19879	1.3
321.20630	2.3
323.09845	43.5
324.10263	3.7
341.10898	89.0
342.11279	7.2
516.03046	0.7
532.92291	0.8
573.29150	22.6
574.29034	3.7
624.97070	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.4955
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21891	0.6
59.01371	1.6
61.98835	4.7
64.66203	0.6
69.69748	0.5
69.70036	4.8
71.04061	0.5
78.57408	0.5
78.95892	1.0
96.13347	0.6
101.89202	0.5
120.44029	0.5
152.99615	0.6
208.91367	0.6
277.21719	100.0
278.22052	9.1
431.54431	0.8
519.47986	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	632.1115
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	3.7
57.16957	0.6
59.01377	8.7
61.98848	0.6
71.60970	0.8
73.02924	0.6
95.01371	0.6
99.04545	1.7
101.02472	0.9
105.03484	0.7
108.02206	1.4
121.02969	1.0
123.04511	1.2
133.02954	2.1
148.01653	0.7
149.02437	1.1
161.04582	1.7
175.04085	0.7
176.01147	11.8
177.01939	100.0
178.02258	5.4
219.03017	0.9
247.43727	0.6
321.06125	0.7
339.06909	1.1
363.07150	5.1
381.08270	60.0
382.08578	6.7
423.09329	12.1
424.09738	1.5
463.12497	2.0
472.38806	0.6
525.12482	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.2578
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	0.7
58.15925	0.7
59.01372	8.6
61.98829	5.5
69.33612	0.7
70.79015	1.2
71.01387	4.5
73.02953	1.7
78.95905	1.7
79.95718	0.8
82.02979	5.3
83.01392	1.6
85.02953	1.8
87.00868	1.1
88.98802	2.5
89.02436	2.1
94.98090	2.3
96.96021	11.1
96.96931	3.6
99.00906	1.1
101.02445	2.6
106.06632	4.1
108.04556	1.6
113.02445	2.2
116.92931	0.7
119.03502	0.7
122.06130	3.8
124.07685	0.7
125.08130	0.7
131.03523	0.8
131.87267	0.7
132.04564	16.5
133.05307	2.8
134.06140	19.1
135.04512	0.9
136.04095	1.3
136.07686	1.5
138.05611	1.2
145.02962	1.0
146.06148	1.0
148.04059	2.1
148.07724	0.7
149.04808	3.0
150.05602	2.5
160.04037	11.0
161.04828	14.5
162.05635	41.9
163.06024	1.5
165.04305	4.9
172.07739	0.8
174.09227	0.9
176.03502	1.0
179.05615	2.1
188.03629	0.8
189.00484	0.9
191.05595	1.0
193.03816	24.0
194.04271	2.3
202.08743	1.6
203.08182	1.0
210.09232	1.0
211.08914	1.1
212.07164	1.2
214.08710	1.3
214.12518	1.0
215.11871	2.1
221.06639	2.0
225.10237	1.2
226.08675	2.3
227.08223	1.3
229.09784	2.3
239.08279	1.6
239.11855	0.9
240.10429	1.2
241.06169	2.1
241.09825	5.3
242.12018	1.4
243.11397	2.9
253.09776	2.9
255.11464	1.9
257.09378	3.4
257.12909	13.3
258.13293	0.9
259.10800	1.4
263.07776	1.8
265.09851	1.3
267.11371	2.8
268.09732	1.3
269.09366	4.1
269.12906	2.5
271.10831	2.4
273.12469	1.0
281.13147	0.9
283.10944	2.3
285.12433	29.4
286.12759	2.7
301.11966	2.0
311.10345	4.1
313.12042	0.8
329.11356	11.5
331.14349	3.6
332.14853	1.7
333.16028	1.0
343.14282	1.4
344.14249	1.0
345.15948	1.6
346.16293	1.8
347.16400	0.9
358.15753	0.8
361.15195	1.8
374.15369	3.1
375.16162	1.4
385.22311	1.0
386.15329	1.3
387.15613	1.3
388.16757	1.4
389.17459	1.3
404.16528	1.3
405.17084	1.3
416.16422	0.8
417.16907	1.3
429.16782	1.4
449.15799	1.3
499.23520	1.2
543.25714	1.1
555.22314	1.0
571.25598	2.1
572.25024	1.4
573.23572	55.3
574.23859	12.4
585.23425	1.3
587.25439	1.1
597.23553	4.7
601.72876	0.9
615.24701	100.0
616.14996	1.4
616.25037	24.1
633.25671	62.1
634.25891	14.8
634.34875	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	631.244
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12828	0.2
56.52607	0.2
57.49285	0.2
59.01379	0.4
61.98835	1.9
71.01376	0.4
73.02952	4.5
75.00881	0.5
86.74226	0.2
98.20667	0.4
99.00874	0.8
99.92596	9.6
100.92610	0.8
115.00387	0.8
116.07211	0.8
116.92874	100.0
116.97251	2.5
117.01957	9.4
117.05573	0.6
117.92879	5.6
118.02317	0.3
118.63552	0.2
133.18604	0.2
138.71492	0.2
200.02229	0.2
254.22971	0.2
257.95404	0.2
265.49780	0.3
273.44431	0.2
277.21841	0.3
286.60172	0.2
296.62500	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.4915
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62206	0.1
57.47508	0.1
57.96185	0.1
58.65530	0.1
61.98830	100.0
62.98523	0.1
62.99248	0.1
69.25813	0.8
69.26226	0.2
94.28512	0.1
226.92195	0.1
261.26788	0.1
382.62280	0.1
394.80139	0.1
657.49463	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	627.2469
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03379	0.4
59.01378	12.8
61.98817	1.6
71.01379	0.9
71.29761	0.6
71.30087	0.6
72.96618	0.4
80.05062	1.5
92.05080	0.6
94.06648	0.9
96.69546	0.4
96.95996	1.0
106.06624	1.9
107.03770	1.2
115.43406	0.5
116.92842	0.6
120.04572	1.2
120.08205	3.0
121.05355	4.1
122.06137	25.9
123.06469	1.1
127.00304	0.5
132.04578	2.4
134.06160	4.2
139.02771	0.4
144.81677	0.4
146.53394	0.4
147.06903	0.4
148.07697	2.1
152.07193	11.1
159.05621	0.7
160.06447	9.7
163.07648	0.8
171.10222	0.5
181.08749	0.6
191.05652	0.7
197.07225	1.1
198.07965	0.6
198.12935	1.1
209.11885	2.2
211.08780	0.8
212.41441	0.4
213.10338	44.8
214.10643	3.3
214.12433	0.9
223.08751	1.5
224.09462	0.8
225.10225	3.0
226.11072	4.1
227.12396	0.4
229.70970	0.4
239.11890	14.4
240.12224	0.9
241.13458	25.4
242.13705	2.6
245.12906	0.6
251.11896	1.4
252.12645	0.7
253.13496	0.4
265.13483	0.6
267.11423	3.8
267.15012	9.5
268.15268	1.2
279.11240	0.7
285.12427	100.0
286.12769	10.4
287.14075	1.6
297.12436	19.7
298.12900	2.0
311.13968	1.2
316.14560	2.0
317.14911	0.5
326.94888	0.5
342.12656	0.4
358.15503	1.4
374.18729	0.8
386.18695	0.9
436.18979	0.4
448.93259	0.5
481.22467	0.7
511.23398	1.6
523.22986	0.9
539.26672	5.6
540.26971	0.9
555.25964	1.3
565.24817	1.4
583.25623	97.8
584.25909	22.3
627.29102	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	627.3016
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
60.01707	1.1
61.11196	0.8
61.98830	26.4
62.96257	0.8
63.79955	0.9
68.87763	0.9
68.93987	0.8
71.01385	1.3
71.61752	1.4
96.99279	0.8
103.92052	1.3
104.92812	0.8
117.61938	0.7
141.01715	69.6
142.02089	1.9
142.05081	1.1
205.24982	0.9
249.18629	1.9
302.52017	1.0
331.18826	1.1
339.00113	3.8
383.63187	1.1
455.16940	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.3014
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24006	0.7
58.96193	0.8
59.01379	100.0
60.01722	1.7
61.98830	11.6
64.21070	0.6
71.01398	1.6
76.88608	0.6
87.92561	1.2
91.57155	0.7
91.62658	0.8
96.99323	1.5
97.02959	2.2
103.92028	1.9
104.92834	0.8
107.42403	0.7
134.03813	3.1
141.01723	65.3
142.02097	1.7
142.05168	1.7
156.95981	1.0
158.89362	1.3
159.89442	0.8
170.24200	0.7
171.94653	6.5
193.05063	3.7
201.90573	0.9
228.90514	0.7
249.18732	2.8
275.06317	1.3
290.01047	1.0
304.14853	0.8
313.10861	2.0
331.19278	1.0
339.00192	4.4
363.16647	1.3
389.83719	0.7
507.24677	2.3
643.50623	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.2436
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	0.4
61.98829	1.0
70.87514	0.5
71.01389	0.3
73.02950	4.1
74.03303	0.2
75.00886	0.5
99.00876	0.8
99.92595	10.0
100.92616	0.7
114.93431	0.3
115.00387	0.5
116.07210	0.6
116.92875	100.0
116.97260	1.6
117.01952	9.5
117.05578	0.5
117.92880	5.9
118.02346	0.2
118.85798	0.2
127.58683	0.2
149.53680	0.2
315.22195	0.2
487.51654	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.2306
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	76.1
60.01713	1.1
61.48764	0.9
61.98830	1.7
68.79418	0.9
69.61236	7.5
70.23961	0.9
71.01370	6.0
71.38421	0.8
73.02946	1.7
83.01406	2.4
85.02973	1.9
87.00880	1.2
89.02422	4.6
93.03473	1.9
96.96037	2.5
98.20580	1.8
99.00871	1.2
101.02435	4.0
113.02476	3.3
119.03494	1.2
121.02993	4.2
122.03751	5.2
123.04510	1.1
125.02463	1.2
125.09782	1.0
127.00395	1.0
127.11331	1.2
143.03535	1.2
149.01299	1.8
149.02466	29.2
150.03244	60.7
151.03711	3.0
154.04781	0.9
161.02495	6.2
161.04521	2.3
164.04826	9.5
165.05588	89.2
166.05904	5.1
176.04872	5.4
177.01942	5.0
179.03520	12.9
179.05098	1.2
179.05670	1.0
180.04268	5.2
185.11786	1.1
189.00397	1.3
191.07204	2.9
193.08725	1.5
194.05833	13.6
195.06636	100.0
196.06972	5.1
202.38882	0.9
209.08192	38.6
209.11661	2.1
210.08553	2.5
211.13402	3.8
229.14447	54.5
230.14835	2.2
241.13428	1.2
253.09247	1.4
274.77563	1.1
285.12152	1.6
303.13632	0.9
305.08917	1.0
310.08057	1.2
339.07266	1.5
342.11078	8.2
343.11633	1.1
345.87640	0.9
346.66351	1.0
357.13425	44.3
358.13730	6.9
397.13516	6.3
405.15515	41.2
406.15964	5.1
415.14529	9.9
417.07574	1.0
483.10913	1.2
522.18402	1.1
596.58295	1.1
627.25470	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	627.2111
Annotation	Chlorophyllide b
Peak:m/z	Relative Intensity
61.98870	0.2
63.46362	0.2
69.85831	1.1
73.02949	1.2
78.34424	0.2
81.35806	0.2
82.28516	0.2
98.20623	0.4
131.26923	0.2
134.11375	0.2
209.41196	0.2
232.36736	0.2
423.14792	0.2
437.11996	0.8
438.13174	1.6
439.13806	0.4
449.16028	0.2
450.13031	0.4
451.13898	1.1
452.14880	3.8
453.15009	1.1
465.16479	0.8
466.16736	0.8
467.17319	0.4
470.15997	0.2
478.12955	0.3
479.17365	0.6
480.14587	0.6
481.15012	7.5
482.15375	1.9
484.14029	0.3
492.13766	0.2
493.15088	1.2
494.15814	1.0
495.16727	15.7
496.17142	4.5
498.15048	0.2
502.15039	0.2
507.16132	1.1
508.18002	2.1
509.18436	1.7
510.18591	0.4
512.12762	1.1
518.15894	0.3
519.16492	0.3
521.14331	1.0
522.15601	0.6
523.16467	0.6
523.19653	0.7
524.17737	0.5
526.15002	1.0
527.15698	0.2
533.18225	0.8
535.16113	2.0
536.16821	3.3
537.17004	0.8
539.15381	0.8
540.16986	3.2
541.16370	0.5
544.15417	0.3
551.19312	37.4
552.19556	11.4
553.17151	0.5
554.18555	1.3
555.18878	1.4
556.18805	0.4
567.18927	0.4
568.16602	0.5
572.15442	2.3
573.15259	0.8
578.35510	0.2
582.17792	0.2
583.21808	0.3
586.17084	2.6
587.17206	0.8
595.18323	7.4
596.18738	2.0
627.21057	100.0
628.21350	32.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.2252
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01357	1.5
61.98813	3.5
67.83074	0.7
68.84980	0.8
71.01381	24.4
88.04770	0.8
89.02443	0.9
89.03963	1.1
98.20676	1.8
101.02464	1.0
109.02946	1.3
115.00387	84.8
116.00724	2.0
117.03474	7.4
121.02994	1.3
123.04533	2.5
133.02979	4.9
134.03758	93.2
135.04288	4.0
137.02466	3.8
139.04065	1.2
146.96689	1.2
147.04485	1.6
148.05333	1.1
149.06111	6.1
151.03911	1.1
161.05986	1.2
165.07326	0.7
178.02658	2.9
179.03552	7.7
180.21176	0.9
181.08667	2.9
183.10300	1.2
185.06029	3.0
191.05583	1.0
193.05066	100.0
194.05431	6.7
195.04517	2.5
197.06090	1.2
209.11830	5.0
211.13359	2.0
212.04735	1.8
213.05576	17.8
223.03944	3.9
224.04747	2.7
235.06113	62.9
235.58006	0.8
236.06427	5.0
240.04015	1.1
241.05051	57.0
242.05498	7.3
251.06921	1.1
252.08009	1.5
253.05090	1.1
253.09421	1.2
254.05647	1.6
256.07391	37.1
257.08029	10.9
266.05750	1.1
267.06592	2.7
268.07324	3.8
269.08109	9.8
270.08603	1.2
271.09726	48.0
272.06967	2.0
272.10062	5.3
281.08142	2.0
282.08731	2.0
283.09784	7.4
284.10477	9.1
295.06119	3.3
297.11325	14.6
298.08411	2.7
298.11630	1.5
299.09189	2.3
299.12888	2.3
310.08514	4.8
311.08969	1.3
313.10803	87.7
314.11191	10.2
325.10864	8.4
326.11169	1.3
341.11060	1.3
343.11902	2.1
355.11874	27.9
356.12085	4.3
387.10855	2.7
396.12949	1.1
463.17722	11.1
464.17584	2.3
507.16504	1.8
609.29095	1.4
627.30566	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	627.158
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07980	0.3
57.03445	6.4
59.01106	0.5
59.01377	5.7
61.98831	2.1
66.49833	0.2
66.76620	0.3
71.01388	1.5
71.61169	0.4
73.02959	0.7
78.95901	0.5
83.01390	0.4
85.02928	0.3
87.00887	0.3
88.16749	0.2
89.02460	0.5
92.34818	0.3
93.03463	0.8
96.96034	0.6
99.04527	3.7
99.75504	0.3
101.02445	1.7
104.40533	0.3
107.28601	0.2
108.02197	0.8
113.02464	0.4
119.62965	0.2
121.02969	1.0
121.50007	0.3
123.04536	1.0
125.02432	1.0
127.00394	0.7
133.03003	1.3
148.01637	0.5
149.02448	1.0
161.04596	1.8
166.06380	0.3
175.03976	0.4
175.99594	0.5
176.01160	11.1
177.01938	100.0
178.02267	5.1
189.00406	0.7
189.29410	0.3
191.05675	0.4
204.50822	0.3
219.02972	0.6
229.14590	0.4
253.04784	0.4
305.08740	1.6
321.06113	4.0
322.06607	0.5
339.07193	23.4
340.07553	1.8
363.07352	1.6
381.08273	13.9
382.08594	1.5
421.11569	2.0
423.09183	1.6
463.12457	0.6
465.10608	1.4
483.11429	29.5
484.11722	4.9
525.12402	4.7
526.13251	0.9
565.15515	0.8
627.15857	0.8
627.32446	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	625.0877
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26111	0.3
51.49019	0.3
52.73449	0.3
58.49203	0.3
59.01379	5.2
61.98825	6.0
71.01385	1.9
71.72393	0.5
72.99304	0.7
73.02945	1.0
77.47754	0.3
78.95891	0.5
79.95760	0.6
80.96523	1.2
83.01396	0.9
85.02961	0.8
87.00881	0.5
88.98810	0.6
89.02468	0.4
94.98109	0.4
95.01398	0.3
96.96025	4.9
96.96975	0.6
97.02948	0.4
98.95605	3.0
98.96182	0.4
99.00894	1.5
99.92590	14.3
100.92645	0.4
100.93353	0.6
101.02467	0.9
103.00414	0.6
111.00909	0.4
113.02504	0.8
115.92090	19.9
116.92871	100.0
117.92889	5.1
119.03523	0.3
121.02967	0.4
123.32363	0.3
125.02453	0.4
127.00378	1.0
140.92903	0.5
141.93768	0.4
142.94450	0.5
156.92307	0.5
158.94009	0.4
174.93390	0.6
177.01981	0.4
184.91788	1.9
189.00404	1.6
191.05525	0.3
219.06577	0.6
225.00702	0.7
226.96547	0.5
242.95790	0.4
259.09726	1.1
276.24396	0.3
277.10788	0.4
315.13330	0.3
343.02792	0.9
361.03665	0.9
403.05157	0.5
410.89313	0.4
461.86450	0.3
483.17609	0.7
485.05557	0.5
503.06598	2.2
504.07062	0.7
505.33728	1.4
520.80750	0.4
521.07452	1.4
523.34375	0.4
539.08655	2.0
540.09705	0.9
545.07452	2.7
546.07330	0.6
563.08276	0.9
565.35541	0.5
580.33429	0.8
581.09680	5.3
582.10156	1.1
624.32916	0.6
625.08722	19.3
625.25439	2.2
626.08905	4.7
626.25037	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.3456
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.7
57.03448	4.1
58.00578	1.8
59.01378	56.2
60.01708	0.9
60.99310	1.8
61.98370	0.6
61.98810	4.2
64.14205	0.7
69.03460	0.9
69.35264	1.2
69.35599	7.8
71.01383	30.3
72.99297	2.3
73.02950	14.9
75.00896	0.9
80.96546	0.8
81.03450	1.4
83.01399	7.3
83.05021	2.2
85.02965	11.2
85.46494	0.7
87.00875	4.3
87.04526	1.0
88.98811	19.7
89.02452	12.9
95.01398	2.1
96.96025	1.3
97.02950	1.1
99.00903	5.9
101.02449	14.0
108.04562	2.1
111.00882	1.0
111.05744	0.7
111.08156	0.8
113.01729	1.4
113.02460	18.5
114.02744	0.8
115.00401	0.8
116.92867	1.9
119.03510	4.0
119.74001	0.7
123.08192	1.2
125.02454	2.2
127.00383	9.9
135.08153	1.1
136.07687	2.8
143.03505	1.5
143.82611	0.8
153.09195	1.5
155.10843	0.9
161.04602	3.5
164.07208	0.8
169.12347	1.2
173.11848	1.0
179.05573	1.9
181.95705	0.7
187.13382	2.7
189.00438	15.4
191.05571	2.0
209.11734	1.0
216.13664	1.1
217.14391	1.8
225.00790	0.7
243.17139	0.8
244.81641	0.7
257.12949	11.5
271.05820	0.9
301.11847	6.1
302.12485	1.5
357.26593	1.0
358.26675	1.1
359.27737	3.2
375.27438	2.6
377.28998	14.5
378.29300	1.7
505.18219	2.6
521.33270	100.0
522.33612	18.1
539.34308	20.8
540.34595	2.7
581.35394	15.5
582.35785	2.0
625.22223	1.5
625.31195	1.5
625.39636	3.5
626.22614	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.3297
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	1.7
57.03440	3.3
58.00607	1.7
59.01379	100.0
60.01718	1.1
61.98831	2.1
66.99225	0.8
71.01385	34.2
71.01784	1.8
71.61257	1.7
72.99326	2.3
73.02945	11.2
80.45454	0.8
81.03467	1.1
83.01405	5.7
85.02960	13.5
87.00898	3.3
87.04538	2.4
88.98813	3.0
89.02455	15.5
93.32899	0.8
95.01409	3.9
96.96021	0.9
97.02959	2.3
97.06575	1.0
99.00893	3.2
101.02457	20.4
109.06631	1.1
111.00903	1.2
111.08183	0.9
113.02468	21.9
119.03507	4.4
119.05024	1.4
125.02476	2.6
137.09689	2.0
143.03513	1.7
149.04628	1.0
151.04010	0.9
153.09277	2.6
155.10770	1.1
161.04565	3.2
173.11862	2.9
174.58479	0.8
179.05597	2.0
187.13351	1.4
201.15016	1.8
217.14424	9.2
225.11493	1.0
299.18707	2.8
324.60867	0.8
331.17395	1.1
347.17047	1.2
357.26178	4.1
361.18658	38.6
362.18979	3.8
375.27573	8.7
379.19788	11.8
380.20078	1.3
383.45007	0.9
391.19495	1.1
403.19690	2.1
421.20718	11.4
422.21286	2.1
501.30585	8.7
502.30939	1.8
519.31696	71.7
520.32001	15.4
537.32654	16.3
538.32849	2.8
561.32568	8.1
579.33960	8.8
580.34119	1.2
623.29895	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	623.3299
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.1
57.03431	2.2
58.00581	1.5
59.01376	66.3
60.01691	1.0
61.77235	0.6
61.98812	2.6
66.13427	0.6
70.81057	1.7
71.01384	31.0
71.05004	1.1
72.99308	1.8
73.02560	1.0
73.02950	13.6
83.01385	5.7
85.02953	12.6
85.03473	0.9
87.00887	3.2
87.04559	3.0
88.98808	1.2
89.02452	14.7
95.01391	3.1
96.96025	0.9
97.02924	1.0
97.06607	2.8
99.00866	3.0
99.04515	0.7
99.92516	0.7
101.02447	17.0
101.06091	0.6
111.00896	0.8
111.08141	0.9
113.02460	16.9
113.09735	1.5
116.92888	0.9
119.03518	5.3
119.05044	0.7
120.99624	0.6
121.10231	2.0
123.08187	1.3
125.02454	1.8
125.09699	1.0
127.48301	0.6
128.33667	0.5
129.09286	0.6
131.03479	0.9
137.09744	1.9
139.07689	0.8
141.09233	0.7
143.03513	2.3
143.10765	1.0
149.04636	1.2
153.09219	0.7
155.10805	0.9
157.12366	0.7
159.10237	1.2
161.04576	4.2
167.10765	1.3
169.12328	0.9
173.11890	1.3
177.01889	1.7
179.03709	0.6
179.05620	2.3
179.10805	0.8
181.12427	0.9
187.13400	1.8
191.05664	1.5
192.04268	1.9
199.13405	0.8
200.14209	0.7
201.14911	1.6
215.12718	0.8
216.13583	0.6
217.14432	8.4
225.11552	0.7
235.04790	0.6
262.85361	0.6
281.07663	1.0
286.32608	0.6
356.25385	0.7
357.26392	13.1
358.26776	1.1
361.18558	2.0
373.26013	0.9
375.27560	6.1
399.27594	1.7
489.30933	0.7
519.31689	100.0
520.26068	0.4
520.32013	16.1
537.32690	18.8
538.33319	3.1
579.25446	1.1
579.33923	10.9
580.34015	2.4
589.55310	0.7
623.28363	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.1634
Annotation	isorhamnetin-3-rutinoside
Peak:m/z	Relative Intensity
50.38997	0.6
57.03449	0.9
59.01379	9.9
60.99326	0.6
61.98824	2.1
65.00320	0.7
68.01451	0.7
68.99820	2.6
69.03477	0.7
69.89995	3.3
71.01373	5.0
73.02961	2.0
76.43249	0.5
77.39346	0.5
83.01401	1.8
85.02961	1.9
87.00895	1.6
88.98815	5.9
88.99334	0.7
89.02460	3.0
89.71159	0.5
93.03498	1.0
95.01393	1.0
96.96009	0.9
98.19865	0.7
100.75939	0.5
101.02459	3.0
107.01370	0.7
109.06586	0.8
113.02473	3.0
116.92912	1.0
119.03691	1.1
119.05048	23.9
120.05382	5.8
121.02941	0.5
127.00404	0.6
145.02968	0.9
147.04597	1.0
149.50130	0.6
151.00392	3.9
161.02440	1.0
161.06171	1.6
163.00439	1.1
163.07678	1.4
164.01222	0.6
164.10802	3.2
165.02016	0.7
165.05519	0.7
165.11172	1.1
171.04597	1.0
179.05724	0.5
183.04568	1.6
187.04030	0.8
189.00403	1.4
189.05588	29.1
190.05943	8.4
191.05792	0.9
193.05089	2.3
199.04007	5.2
200.04544	0.6
207.10248	1.7
211.03943	0.7
215.03491	2.1
225.11366	1.1
226.02728	1.0
227.03506	5.4
228.04114	0.6
242.02232	2.1
243.02959	25.0
244.03481	3.3
249.58632	0.5
254.02243	1.4
255.02982	17.6
256.03467	2.1
257.04630	3.5
259.05792	0.6
270.01694	3.5
271.02457	45.9
272.02975	7.0
285.04016	6.5
286.04816	2.7
287.05548	1.5
299.01974	41.0
299.77124	0.6
300.02722	43.0
301.03064	3.7
314.04327	39.3
315.05084	100.0
316.05405	9.0
375.27646	0.8
439.96191	0.6
519.31708	7.9
520.31860	1.2
537.32446	2.6
579.33752	1.0
622.37640	1.0
623.16278	95.8
624.16675	19.9
624.27209	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.4592
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	2.1
61.98818	4.3
64.84609	1.9
69.87921	11.5
69.88629	1.8
71.46203	1.9
78.95910	6.9
98.20628	4.4
100.44124	2.4
118.76688	2.0
152.99673	3.7
171.10265	19.8
185.02083	2.2
200.17953	2.4
205.60277	2.4
277.10953	2.3
277.21692	33.6
278.22095	5.7
279.84109	2.1
295.22797	100.0
296.23157	8.4
308.95920	2.3
309.20807	2.5
607.31024	2.4
619.42224	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	621.2731
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98839	1.0
71.72564	0.4
71.72916	0.5
72.22743	0.4
73.62683	0.4
78.95879	0.6
149.52797	0.4
211.43207	0.4
243.11508	0.4
431.14740	0.5
445.16537	2.3
446.17224	2.5
447.17999	0.5
459.22171	3.0
460.18906	9.1
461.19803	24.8
462.20132	4.6
474.20361	1.4
475.21402	3.9
476.21448	1.2
519.20282	11.4
520.20801	2.7
533.21802	1.4
535.23254	0.7
621.27295	100.0
622.27594	23.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	622.1585
Annotation	Unknow
Peak:m/z	Relative Intensity
57.41608	0.5
59.01373	1.4
61.98829	100.0
69.50276	5.4
75.00890	0.8
78.95917	0.8
83.01368	0.6
96.96029	1.0
96.96975	0.6
102.53979	0.5
105.48072	0.5
116.95658	0.5
147.25328	0.5
189.00476	0.8
298.65982	0.6
561.30353	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	622.2666
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.6
57.03455	2.6
59.01106	0.7
59.01376	11.1
61.98834	3.3
68.99816	3.4
69.03445	1.0
71.01384	14.7
71.71234	1.0
73.02939	2.9
74.02467	0.7
81.03461	0.7
83.01389	2.2
84.84695	0.5
85.02954	19.1
86.03260	0.7
87.00879	2.1
88.98801	0.7
89.02427	2.4
93.03469	15.3
95.01405	1.0
95.05019	0.7
96.96063	0.7
97.02956	1.6
99.00896	0.9
101.02444	3.9
107.05034	0.7
108.02185	0.9
109.02934	1.7
111.00887	0.7
113.02458	5.6
116.92848	1.2
117.03399	0.8
119.05038	66.7
120.05361	2.7
121.02979	2.9
121.06585	2.3
122.03752	23.4
123.04025	0.5
123.04581	1.0
124.01658	3.7
125.02427	1.5
126.09260	1.0
127.04018	0.7
133.02933	0.6
135.04541	10.7
137.02473	6.3
141.01663	0.5
145.02950	3.7
145.06664	0.5
146.43069	0.5
147.04547	3.0
151.04106	0.5
154.02742	6.0
161.02484	1.7
161.04619	1.1
161.06075	1.3
161.91914	0.5
163.03987	0.7
163.07660	4.6
164.10829	4.5
165.05580	8.9
166.05804	0.7
172.10995	1.6
176.10849	0.6
181.12428	0.7
185.06133	0.9
187.07661	16.9
187.13446	0.5
188.07994	1.1
188.10698	1.2
189.05580	26.5
190.05907	1.8
190.12367	3.3
191.05515	0.9
191.07117	6.2
203.08221	1.2
204.10246	0.8
204.13974	0.6
206.11891	0.6
207.06548	0.6
215.07100	1.1
218.11856	15.5
219.12126	1.8
225.11304	2.3
227.07045	1.0
230.11914	1.3
232.13417	15.3
233.13762	1.3
255.12640	0.6
256.13412	69.3
257.13766	6.2
268.13480	3.7
269.14032	1.0
270.15002	2.8
284.12955	1.2
294.14749	0.9
299.01974	0.6
310.14426	2.0
310.17950	0.7
312.16040	31.6
313.16315	3.6
314.17560	2.7
315.05121	1.4
325.11823	0.7
326.17520	1.2
328.19162	28.1
329.19431	3.0
330.17239	2.6
338.17545	5.3
340.15546	23.1
340.19180	3.3
341.12170	0.6
341.15930	2.7
341.19553	0.9
352.15457	1.6
354.17096	44.6
355.17416	5.6
359.28171	0.7
366.17133	2.0
370.20337	0.7
375.27707	2.5
396.18130	5.2
432.21829	3.0
433.22275	1.1
434.23343	45.8
435.23819	8.6
456.20306	1.1
460.21265	100.0
461.21591	17.2
474.21460	1.8
476.24402	9.2
477.24948	2.2
500.24695	0.7
502.21939	4.6
503.22858	1.1
519.31732	11.0
520.23615	1.2
537.32800	1.7
578.27637	2.6
604.24817	0.8
622.26740	38.8
622.37958	2.9
623.17224	0.8
623.28125	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	619.1527
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	2.0
59.01373	2.1
61.98820	4.8
64.72894	1.0
69.03481	1.2
69.77766	6.2
71.01382	3.8
73.02934	1.4
75.00888	1.0
81.03452	12.7
83.01383	14.1
85.02942	1.3
93.03452	3.3
94.47711	0.8
95.01395	3.5
95.05021	5.4
96.96030	1.3
97.02960	9.4
99.00877	1.8
99.04520	6.6
101.02468	1.8
107.01360	1.1
107.05042	2.6
109.02940	5.0
111.04531	3.8
113.02483	2.3
119.05026	2.0
121.02948	5.0
123.04533	30.6
124.04831	1.3
125.02453	34.2
125.06073	2.0
133.02881	1.1
135.02988	2.1
135.04553	3.6
137.02477	11.4
137.06065	3.6
138.03186	2.1
139.04007	4.0
139.37277	0.9
146.08234	2.1
147.04552	3.4
149.02426	2.6
149.06053	1.8
151.04007	6.0
153.05611	2.5
155.03546	2.4
161.02463	1.1
163.00275	1.1
163.03973	3.4
165.01932	2.6
165.05615	5.3
167.03505	50.3
168.03841	2.6
177.01978	2.4
179.03517	12.8
181.05104	3.6
191.03494	5.6
193.05055	2.9
197.04564	15.9
205.01530	1.2
205.05016	1.3
207.02945	1.5
209.04547	100.0
210.04842	6.0
218.05814	1.1
219.02980	0.9
221.04552	3.5
223.02690	1.0
223.06023	1.3
233.04482	1.3
239.05597	78.4
240.05934	4.5
251.05634	7.5
269.06638	30.0
270.07050	3.1
275.05643	1.1
281.06693	4.2
293.06656	46.5
293.11899	1.9
294.06961	4.2
305.06650	2.4
311.07623	3.7
323.07684	42.7
324.08032	3.8
329.08737	10.6
335.07672	1.3
341.08780	2.7
353.08704	14.4
354.08899	1.2
359.09842	2.5
371.09811	4.0
383.09659	1.3
395.09827	5.1
401.10831	1.9
413.10876	27.7
414.11081	3.5
425.10764	3.1
437.10941	2.2
443.11804	3.0
447.63345	1.0
455.11938	9.5
467.11722	2.1
485.12854	1.6
491.14099	3.6
499.11261	1.6
515.13934	1.5
533.14996	5.3
534.15259	1.4
557.14978	1.8
575.15656	5.5
619.16656	6.4
639.45862	1.3
646.62787	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.2574
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
61.98825	2.6
68.99820	0.4
70.72762	0.3
70.91173	0.7
70.91525	0.6
76.65136	0.3
92.05369	0.4
101.02455	0.6
190.26346	0.4
389.15198	0.9
401.13983	2.5
402.14536	0.5
415.15704	3.1
416.16394	13.6
417.16830	2.9
429.17227	1.3
430.18106	3.0
431.18607	2.3
434.17377	0.5
443.14905	0.8
444.15717	2.1
445.16562	1.2
448.15860	0.6
458.17496	1.1
459.18243	100.0
460.18616	19.0
473.19791	15.8
474.20483	6.9
475.20770	0.8
485.16187	0.8
487.17767	1.3
499.17908	0.6
501.18942	1.8
502.19696	0.7
503.17181	2.8
511.17987	0.5
512.18909	0.6
517.18597	0.9
518.19562	44.7
519.19861	9.4
532.21063	7.3
533.21899	84.0
534.22235	16.2
534.30597	0.6
543.20648	0.8
544.21283	1.0
587.23120	5.2
588.23541	1.5
619.25751	87.6
620.26062	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	617.2633
Annotation	azadirachtin I
Peak:m/z	Relative Intensity
53.55721	0.8
59.01376	6.2
61.98827	7.6
71.01386	2.7
71.05021	0.8
71.61642	1.2
73.02927	1.6
78.95904	3.4
80.05064	0.9
83.01357	1.3
83.05051	0.9
84.04533	1.3
85.02939	1.4
88.98810	1.9
89.02451	2.3
94.06653	1.6
95.03777	1.6
96.96025	22.6
96.96949	5.5
97.01698	1.4
99.00908	1.0
101.02419	2.0
106.06628	3.9
107.03789	1.1
108.04559	3.0
108.08202	18.6
113.02436	2.4
120.04568	1.0
122.06137	11.5
124.07685	6.3
127.00335	1.0
132.04572	53.1
133.05376	14.9
134.06154	14.5
138.05595	1.4
148.04013	2.7
149.04823	2.7
150.05615	26.4
151.05989	1.2
152.07190	3.2
162.05684	4.7
165.04329	36.5
166.04684	1.4
173.11873	1.0
176.07150	2.5
186.09256	1.7
189.00336	1.2
191.00627	1.1
209.11682	1.8
211.93147	0.8
212.10791	2.5
213.06622	2.8
214.12357	5.3
215.11887	12.6
226.07484	1.1
227.08229	2.5
227.11885	0.9
228.02907	0.8
228.05344	1.2
229.09857	7.1
229.13434	3.8
239.08144	0.9
239.11868	2.6
240.10323	2.7
241.09819	9.0
241.13493	2.2
243.14714	1.1
253.13591	1.5
255.11336	5.9
257.12939	78.2
258.13287	6.4
265.09830	2.0
267.08087	0.9
267.11298	1.2
268.08624	1.5
269.13016	1.9
270.13620	2.2
271.14465	13.1
272.07968	1.2
272.14752	1.3
281.12961	0.9
283.10886	25.2
284.11191	2.4
300.11050	2.1
301.11929	25.8
302.12158	2.9
312.11502	0.9
313.11887	1.2
315.13440	1.1
323.12756	0.9
327.09842	4.0
388.16919	1.9
404.19681	2.0
430.17789	1.2
436.19025	1.9
555.26282	0.9
557.23987	25.4
558.23999	5.3
571.25165	1.3
573.28113	1.1
581.23724	1.5
582.25519	1.1
599.25134	100.0
600.25598	22.1
617.26270	77.6
618.26495	16.3
618.35211	2.8
648.25452	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.135
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	1.1
58.00618	0.5
59.01380	18.1
61.98830	1.7
67.61304	0.5
69.03453	0.6
69.44106	4.0
71.01382	6.9
72.99297	0.6
73.02952	2.7
78.95918	2.7
79.95746	5.2
80.96522	1.3
83.01389	2.1
85.02940	2.6
87.00883	1.7
87.04532	0.9
89.02457	2.8
92.51370	0.5
95.95217	0.8
96.96023	100.0
96.96907	4.7
98.95596	0.8
99.00878	0.9
101.02452	4.2
101.93797	0.4
103.00400	0.9
107.37895	0.5
110.06145	0.5
110.97595	7.6
111.06473	0.5
111.68835	0.5
113.02458	2.4
116.92908	1.0
118.98104	0.5
119.03548	0.6
120.08186	2.2
121.08542	1.3
122.06128	2.1
125.02450	0.5
125.09722	0.9
127.00381	0.5
138.97070	1.1
153.71469	0.4
161.04596	0.7
173.11742	0.5
189.00407	1.1
191.05609	0.6
209.11719	0.9
213.11517	0.5
219.06619	0.5
220.38474	0.4
230.11943	0.5
240.98032	0.4
241.00140	2.5
265.13358	0.7
267.14731	0.8
273.11453	0.8
336.16241	0.5
353.23267	0.6
371.24579	3.0
389.20779	0.6
451.20758	2.3
452.20837	0.9
499.29526	0.6
515.11981	0.8
533.13306	41.1
534.13550	5.3
559.27972	0.5
574.27850	2.4
575.14441	41.2
575.29944	10.0
576.14893	6.0
576.30444	0.8
577.28906	0.5
601.12366	1.4
618.35413	3.8
619.13562	23.8
619.23444	0.8
619.35168	2.0
620.13867	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.1536
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	0.7
59.01378	2.4
61.98820	0.7
66.19500	0.3
68.99839	0.4
69.72368	0.3
71.01378	2.9
71.05014	1.0
71.60247	0.5
72.97330	0.4
73.02907	0.5
74.19869	0.3
75.00875	1.0
80.68921	0.4
81.03461	13.6
83.01385	2.6
85.06612	0.7
86.82015	0.4
89.02451	1.6
93.03472	0.8
95.01378	0.5
95.05034	6.5
96.96036	0.6
97.02952	4.7
99.00900	0.6
99.04526	10.7
100.04860	0.4
101.02451	1.2
105.03469	1.0
109.02943	1.0
111.04543	0.5
113.02462	0.4
115.00398	1.2
116.92879	1.2
119.03532	0.8
119.05047	4.8
121.02947	1.0
123.04537	6.8
124.04896	0.4
125.02461	14.5
126.02844	0.6
131.07137	2.6
131.81586	0.5
133.01434	1.5
135.03011	1.9
135.04520	1.5
137.02472	4.2
137.06070	0.8
138.03223	1.9
139.04036	6.1
146.08252	1.3
147.04492	0.5
148.01620	0.5
149.02448	5.6
151.04016	0.7
154.06195	0.7
161.02480	0.7
163.04021	14.5
164.04291	0.8
165.01941	1.6
165.05629	0.9
166.02885	0.4
167.03508	100.0
168.03847	5.0
177.01933	1.1
177.05374	0.4
179.03500	3.0
181.05055	0.9
189.01872	0.5
191.03510	12.7
192.03882	0.8
193.01453	1.3
197.04572	5.0
198.05157	0.4
203.03488	0.3
205.01402	0.6
205.05049	2.3
208.03610	0.3
209.04562	7.0
221.04434	1.8
223.06131	1.1
233.04523	5.5
234.04884	0.5
249.04033	0.4
251.05611	9.3
252.05849	0.6
263.05609	1.7
275.05554	2.7
277.12115	0.5
281.06683	0.8
287.07516	0.6
293.07010	0.5
293.12399	8.2
294.12793	0.5
297.23825	0.4
312.01443	0.4
323.13242	0.8
324.13928	0.5
325.13843	0.6
329.08841	2.1
353.08676	3.3
371.09738	4.4
372.10254	0.8
395.09811	1.6
413.10889	30.5
414.11234	3.7
439.23630	0.4
443.11868	2.2
455.11932	36.4
456.12268	5.3
485.13138	1.9
533.15167	1.1
575.16211	13.6
576.16516	2.8
596.67700	0.5
619.18085	4.3
620.18073	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1942
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01395	3.1
61.98828	20.4
66.37678	2.8
69.79011	2.5
71.01363	5.0
71.61565	3.8
73.02951	4.0
78.95858	3.4
80.96500	13.6
85.02946	3.6
87.00879	2.9
94.98107	3.7
108.02174	10.2
109.02953	6.5
117.03459	3.2
121.03045	2.9
123.04544	9.3
133.02966	5.6
134.03754	48.3
135.04498	4.6
146.03723	5.4
149.06059	4.0
159.04520	10.7
164.98541	2.8
175.03951	4.2
179.03505	7.6
181.08722	4.5
182.29285	2.7
185.02458	39.2
189.00385	4.1
193.05069	42.5
203.03572	3.3
211.13350	7.2
215.14363	3.5
224.81969	2.4
225.00471	2.9
229.01442	16.7
265.05057	3.2
266.05737	5.2
267.06561	8.0
268.07281	5.0
283.09836	14.2
293.04608	5.5
294.05200	3.2
309.07654	9.6
313.10852	42.1
314.11243	5.4
325.07150	4.6
327.08716	3.1
328.05893	3.5
349.07040	4.1
353.06650	12.5
396.46149	3.4
411.99515	3.1
447.14304	11.4
473.12390	100.0
474.12985	13.3
491.13358	3.8
550.11407	3.0
593.29828	5.0
611.19037	7.1
611.27820	26.1
612.18970	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	611.3295
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	40.6
61.98833	3.5
71.01382	34.2
71.66381	1.2
72.99317	1.9
73.02924	1.1
78.95914	2.8
85.02961	5.1
87.00882	2.7
89.02449	41.9
91.51883	1.1
101.02451	17.2
113.02468	11.5
119.03503	14.8
131.03548	1.9
143.03529	3.1
152.99608	4.4
155.83366	1.2
161.04575	3.0
175.03497	1.2
179.05621	20.1
189.63911	1.2
208.57184	1.1
209.54440	1.0
241.01266	1.9
315.94034	1.2
341.10889	100.0
342.11258	7.9
611.28674	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	616.1533
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03782	0.6
57.03159	1.2
57.03447	26.0
59.01379	46.5
60.01705	0.6
61.98830	100.0
71.01385	11.9
71.71205	1.5
73.02953	4.7
78.91923	0.7
78.95917	1.7
81.03454	0.9
83.01392	3.0
85.02956	5.0
85.84219	0.6
89.02463	2.0
96.96019	12.6
96.96985	2.5
99.00904	2.1
99.04527	37.9
100.04885	1.0
101.02452	13.2
113.02450	4.1
116.92883	1.4
119.03552	1.0
121.02983	1.3
125.02464	22.8
127.00435	2.2
143.03516	2.9
147.04503	1.1
149.04495	0.8
151.00407	1.4
153.74893	0.6
161.04510	3.5
173.06102	2.1
179.05626	1.8
187.04039	1.8
189.00461	2.0
191.05598	1.2
203.05602	2.0
203.07199	9.8
209.11880	1.0
221.06671	1.2
253.09276	0.8
263.07684	1.1
271.06192	1.2
409.11407	7.6
410.11716	1.0
439.16675	0.7
451.12451	16.7
452.12717	2.0
491.15521	3.8
553.15540	11.0
554.15863	1.6
579.17560	1.6
580.17700	1.8
615.26172	0.8
616.25403	2.2
617.28900	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	609.4146
Annotation	Manadomanzamine A
Peak:m/z	Relative Intensity
59.01368	4.2
61.98828	3.1
65.10509	1.4
67.41576	1.0
69.65000	3.2
69.65427	6.0
95.05025	2.5
111.02005	1.6
116.05265	0.9
121.10247	19.1
122.10641	1.0
171.10280	57.9
172.10623	2.5
185.11807	1.8
207.10048	2.4
219.09993	1.1
231.21144	4.3
239.95355	1.0
255.02969	1.8
271.02429	2.2
275.20142	63.5
276.20612	6.1
278.11456	9.6
293.21204	66.9
294.21442	7.7
297.18237	1.6
300.02780	3.1
315.19409	37.0
316.19888	2.8
329.17380	1.7
331.19006	5.1
359.18427	9.4
609.14551	3.6
609.41455	100.0
610.41748	24.2
623.01776	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.5113
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05104	0.6
59.01367	0.7
61.98821	3.9
69.75384	3.1
69.75796	1.2
94.27896	0.6
98.19988	1.3
109.32127	0.7
109.73925	0.6
137.89624	0.5
143.53918	0.6
261.22235	0.7
279.23282	100.0
280.23618	11.3
609.22528	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.351
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23792	0.8
55.01877	0.8
57.03441	3.6
58.00591	1.6
59.01378	72.4
60.01711	1.3
61.98834	6.4
69.03439	0.9
69.58788	6.8
71.01384	19.1
72.99300	1.2
73.02944	6.6
75.00848	1.1
77.48586	0.8
78.95901	2.7
83.01367	4.1
83.05041	1.1
84.02206	0.7
84.49810	0.9
85.02956	11.1
85.93560	0.8
87.00878	8.1
87.04519	0.9
88.00407	2.3
88.98812	8.2
89.02450	4.7
95.01384	3.2
96.96035	1.9
97.02988	0.8
97.52894	0.8
98.20796	1.5
99.00879	2.1
101.02450	12.2
104.68112	0.9
113.02459	14.1
116.92865	2.0
119.03484	2.6
121.02973	1.7
125.02448	2.5
127.00349	1.5
127.11362	1.1
141.09204	0.9
143.03490	2.4
151.00302	1.4
157.12390	1.1
161.04527	2.2
171.13918	2.3
177.01944	3.5
178.99989	1.1
179.05566	1.0
187.13380	1.1
189.00415	2.6
191.05603	1.4
201.14931	2.6
205.78123	0.7
211.13414	7.9
212.13760	1.1
227.03467	1.1
243.03174	2.0
255.02963	4.9
256.03186	1.0
271.02487	9.5
272.02798	1.7
299.01990	1.5
300.02750	15.3
301.03442	6.7
315.25510	0.9
343.28299	1.2
350.57959	0.9
359.27939	2.6
361.29544	11.6
362.29843	1.1
397.13248	4.5
415.14697	2.8
457.31323	1.0
503.32230	1.9
505.33737	100.0
506.34061	15.4
523.34814	18.9
524.34912	2.4
565.36090	5.9
566.36261	1.6
609.14685	16.9
610.14539	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.3511
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51324	1.1
55.01888	1.5
57.03458	5.0
59.01379	84.0
60.01702	1.6
60.99293	3.2
61.01806	1.2
61.98832	9.4
69.03447	2.3
71.01389	26.6
71.70089	1.6
72.01735	1.2
72.99314	3.1
73.02942	7.5
78.95885	3.0
82.88084	1.0
83.01400	6.9
83.05013	1.7
85.02521	1.3
85.02961	12.5
87.00884	12.8
88.00399	3.0
88.98817	13.9
89.02469	11.0
89.74366	1.0
95.01376	4.7
96.96016	3.8
96.96955	1.4
99.00887	3.9
101.01916	1.3
101.02470	14.6
102.02795	1.4
107.01386	2.1
111.00921	1.6
113.02466	17.6
116.92851	2.9
119.03530	2.3
121.02949	2.1
125.02461	3.2
125.70757	1.0
127.00359	3.3
135.04568	2.6
143.03467	2.7
151.00362	5.7
157.12395	2.4
161.04514	4.3
163.00343	1.9
171.00638	1.5
171.13916	2.2
177.01933	7.6
178.99837	4.0
179.03242	1.0
179.05609	1.5
183.13953	1.4
189.00418	3.1
191.05598	3.4
201.14989	2.5
211.13396	22.3
235.08000	1.8
243.03009	6.5
249.47404	1.0
254.02069	1.2
255.02989	17.2
256.03247	1.7
271.02484	27.5
272.02762	5.0
277.09088	1.2
283.02136	1.2
299.01993	6.2
300.02777	50.2
301.03448	20.3
354.78693	1.1
359.27896	2.8
361.08603	2.5
361.29526	12.2
362.30023	1.4
397.13599	11.6
415.14664	5.4
503.32208	2.8
504.32300	2.4
505.33646	100.0
506.33917	12.8
521.33099	1.3
522.33502	1.7
523.34735	18.6
524.34851	2.3
565.36121	9.1
566.36133	1.4
568.22430	1.8
601.15814	1.3
608.13245	1.5
609.14624	55.8
610.14703	9.4
610.22302	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1472
Annotation	Rutine
Peak:m/z	Relative Intensity
51.33176	0.4
56.78033	0.3
57.25476	0.3
60.50253	0.4
65.00325	0.6
68.54754	0.3
69.28548	1.3
69.28973	2.7
98.19810	0.5
107.01389	1.4
108.02194	0.5
109.02956	0.4
114.20984	0.4
116.11929	0.3
121.02987	0.6
148.01709	0.9
151.00398	5.1
163.00378	1.2
178.99867	2.0
191.03474	0.4
215.03568	0.5
216.04333	0.5
220.80865	0.4
226.02698	0.5
227.03508	1.2
239.03555	0.6
243.02954	4.8
244.03320	0.5
254.02245	1.1
255.02969	10.9
256.03366	0.7
271.02463	21.2
272.02826	2.0
273.04047	0.7
283.02487	0.5
299.02094	0.6
300.02756	37.2
301.03500	18.8
302.03860	1.3
609.14734	100.0
610.15045	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	609.3505
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68348	0.8
53.05485	0.7
53.60412	0.9
55.01880	1.5
57.03446	9.3
58.00602	1.0
59.01377	98.1
60.01709	1.4
60.99306	1.5
61.98831	3.4
68.45940	0.8
69.03452	1.7
69.33519	1.7
69.33916	8.5
71.01384	28.7
72.99319	1.9
73.02948	8.6
74.91959	0.8
78.51009	0.7
78.95901	4.3
79.15457	0.7
83.01395	4.8
83.05014	0.7
85.02950	15.4
87.00874	3.7
87.04507	1.2
88.98816	9.6
89.02438	8.6
89.87308	0.8
93.03470	2.1
95.01405	4.3
96.96030	1.3
97.02972	1.1
98.20693	1.6
99.00892	3.5
99.04543	1.3
101.02460	15.5
102.02761	0.8
107.01336	0.8
111.00883	1.5
113.02460	20.0
116.92917	1.3
119.03500	2.7
120.19501	0.8
121.02966	0.9
125.02458	3.1
125.09751	0.8
127.00385	2.8
135.04547	1.2
143.03551	1.9
151.00398	2.3
153.09167	0.8
157.12392	1.4
161.03418	0.8
161.04539	4.0
171.00751	1.2
171.13901	1.7
181.08720	0.9
187.13492	1.1
189.00378	2.8
191.05644	2.0
201.14989	1.2
211.13393	3.5
217.14333	0.9
240.95364	1.0
243.02901	2.0
253.09308	2.3
255.02959	5.8
271.02454	12.0
272.02887	1.8
299.02100	1.5
300.02753	23.7
301.03430	9.0
302.03760	1.2
313.20184	2.1
359.28052	1.3
361.29575	6.8
362.30142	1.0
397.13602	1.7
415.14407	0.9
447.25943	1.1
465.26978	16.6
466.27301	2.4
504.32123	1.5
505.33746	100.0
506.34085	16.3
507.28192	12.2
508.27975	2.0
523.26849	1.3
523.34717	22.9
524.34918	3.5
547.31104	3.4
565.36029	13.8
566.36145	2.3
609.14819	21.5
609.31116	15.6
610.14917	6.2
610.30835	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	608.1774
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42538	0.3
61.63008	0.3
61.98830	100.0
62.35479	0.3
62.98548	0.5
63.99249	1.1
64.21149	0.3
69.83849	1.9
71.01385	0.3
78.95903	0.4
83.01410	0.3
96.96001	0.4
126.90443	0.4
151.00424	0.7
152.99620	0.8
177.22838	0.3
189.00360	0.3
227.18066	0.3
241.01271	0.4
255.03065	0.8
271.02505	1.1
300.02820	2.3
301.03647	0.6
376.18854	0.3
412.29599	0.3
498.65775	0.3
512.05792	0.4
606.43085	0.3
608.24915	0.4
609.15076	3.0
609.27100	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	608.321
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	0.8
60.99306	15.0
61.98825	1.3
71.58316	0.5
73.70108	0.3
78.95911	10.9
87.00884	0.6
88.00417	3.5
88.98814	100.0
89.02451	17.0
89.03008	0.6
89.99158	1.5
96.96983	2.4
97.27310	0.3
115.34633	0.4
125.00111	0.4
134.04756	0.9
150.24876	0.3
151.01660	0.4
152.99593	1.3
168.04520	0.3
191.05623	0.4
204.71001	0.3
279.23288	4.3
280.23569	0.8
346.05554	4.7
347.05835	0.7
392.85419	0.3
425.14673	0.3
433.23651	1.0
433.76431	0.3
443.93054	0.4
460.26031	0.4
498.05008	0.3
504.31030	1.7
608.28485	1.1
609.14130	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	606.3788
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	20.3
61.98848	1.1
70.41109	0.7
78.95908	23.9
82.98109	0.8
111.20845	0.9
115.92093	1.0
116.92913	1.0
152.99631	3.9
168.04350	3.9
224.06900	9.9
230.44482	1.0
242.07895	2.2
293.70706	0.8
307.26419	100.0
308.26773	11.5
399.28992	0.8
465.62357	0.9
502.20477	1.0
511.62332	0.9
532.34052	82.0
533.34344	13.3
565.64142	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.1986
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38268	0.7
51.77814	0.7
61.98812	1.9
62.96394	1.2
71.72321	1.5
78.95907	100.0
80.55135	0.8
96.96980	5.5
99.92594	9.8
100.93372	1.8
114.26801	0.8
115.92091	36.3
116.92111	2.3
116.92864	30.2
117.92865	1.6
120.96934	1.3
132.92453	0.8
142.94456	0.8
150.98048	5.5
152.99597	34.6
155.95186	1.1
164.90509	2.2
168.66031	0.9
170.15552	0.8
171.00696	5.3
171.94724	1.1
172.95499	5.9
178.88412	3.6
179.89226	31.8
180.90024	25.5
181.90717	3.6
194.87845	1.8
196.89487	49.2
197.89485	2.4
204.90025	2.0
205.90857	2.3
206.91513	3.3
208.89502	1.4
218.91483	1.2
219.92410	1.4
221.90250	1.1
223.38171	0.8
234.90962	2.2
235.91841	9.9
236.92604	23.1
237.92860	1.7
252.92090	3.7
253.92674	0.8
270.93195	1.6
278.93640	2.5
279.23285	11.5
309.95374	1.5
364.98901	1.0
379.15753	1.1
430.06219	0.9
435.18295	1.1
459.12402	2.2
480.89090	0.9
481.87637	0.9
498.14606	2.6
499.15674	7.9
500.15964	1.6
507.27512	3.8
516.15631	5.7
517.16095	1.5
537.24725	0.8
559.17725	5.4
571.17609	7.9
572.18127	1.5
589.18896	5.5
590.19043	1.7
603.16742	1.1
607.19812	81.4
608.19995	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	606.2701
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	0.3
60.99309	2.6
61.98820	0.6
62.51353	0.3
76.66782	0.2
77.84549	0.3
78.95910	100.0
86.36655	0.2
88.00420	0.4
88.98815	18.7
89.02447	2.2
96.96972	25.4
97.56066	0.3
104.06210	0.2
105.59485	0.2
107.03631	0.5
134.04742	14.9
135.05058	0.3
138.83301	0.2
138.98047	1.5
150.98027	3.0
165.12851	0.7
166.13086	0.3
190.09927	0.2
192.99083	1.2
211.00156	3.1
233.17778	0.3
233.40804	0.3
247.20969	0.3
277.21780	0.5
280.50342	0.2
291.19690	1.6
292.20032	1.0
313.17816	0.7
314.18176	0.4
328.04425	1.6
336.51910	0.3
346.05579	63.2
347.05814	4.1
431.21609	0.3
552.05878	0.3
606.27051	7.8
606.38379	1.0
607.13043	0.5
607.27173	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	605.3183
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	2.0
55.19748	0.7
57.03450	2.9
58.00595	0.7
59.01382	72.1
60.01711	1.1
70.98158	1.5
70.98554	1.3
71.01390	24.6
72.99309	1.4
73.02951	6.5
77.18997	0.5
83.01385	4.5
85.02961	12.8
86.00106	0.9
87.00888	2.4
87.04532	0.9
89.02451	6.7
95.01387	2.9
97.06625	1.6
99.00893	3.3
101.02457	11.2
111.00880	1.4
111.03194	0.8
113.02463	13.4
119.03513	2.5
121.10242	1.1
125.02443	1.6
125.09742	1.2
127.00431	1.5
127.11308	1.5
129.01970	0.8
143.03519	2.1
149.09714	0.7
155.10861	1.0
159.02907	0.8
161.04604	3.6
171.13927	1.7
179.05688	0.6
180.04317	0.6
189.00481	1.7
200.14119	0.6
201.15083	0.8
229.18051	0.9
246.46068	0.8
314.54587	0.6
319.13065	1.0
339.25409	2.4
344.18326	1.7
357.26407	5.8
362.19592	4.3
391.23376	1.1
394.18744	0.9
465.28699	1.5
483.29730	3.8
501.30667	100.0
502.30969	18.0
519.23761	1.1
519.31720	23.8
520.31757	3.7
543.31610	1.2
561.24286	1.4
561.32831	4.0
562.33209	1.0
587.25024	1.0
605.26239	1.2
606.26862	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	606.162
Annotation	Unknow
Peak:m/z	Relative Intensity
55.61346	0.3
57.30809	0.3
61.98831	100.0
63.04044	0.3
69.55193	0.2
70.81705	0.3
70.82073	0.8
75.00901	0.4
78.95927	0.5
183.38048	0.3
199.93236	0.3
227.90063	0.3
332.77917	0.3
355.65448	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	606.1622
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	100.0
62.04782	0.6
70.50415	1.8
70.66917	0.5
83.94182	0.6
107.04324	0.6
166.56018	0.6
228.66989	0.6
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
55.01849	1.1
57.03443	4.5
57.35670	1.0
58.00615	1.3
59.01379	100.0
60.01720	2.4
61.98837	1.8
71.01388	32.7
72.99310	2.6
73.02958	10.1
75.00899	0.9
75.30639	1.1
77.51683	1.0
83.01398	4.8
85.02962	12.4
85.13361	1.3
87.00886	2.9
89.02459	14.0
94.56366	1.0
95.01396	4.0
96.96020	2.4
97.02980	2.0
99.00896	3.2
101.02464	18.5
106.16914	1.0
111.00882	1.2
113.02457	17.5
119.03510	5.0
119.21508	0.9
125.02408	1.7
127.00410	1.2
127.11291	2.6
135.00832	1.1
139.07651	1.2
143.03546	2.0
161.04550	5.3
171.13910	4.2
175.02481	2.0
179.05620	3.2
189.10190	1.2
199.13315	1.7
200.14270	1.9
201.14917	1.7
224.01213	1.1
224.25435	1.1
229.18092	3.8
230.95445	1.3
313.03604	3.9
321.24329	1.8
339.25327	3.6
357.26505	6.5
381.26453	5.8
382.26709	1.8
430.09229	1.4
438.67017	1.0
453.28406	1.9
475.32175	1.5
501.30658	59.2
502.31082	9.9
519.31738	22.0
520.32013	3.7
543.31409	1.5
561.32959	35.2
562.33154	5.1
605.27246	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.1183
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09377	0.3
59.01379	8.3
61.98800	0.5
66.74974	0.4
69.39908	1.2
69.40337	2.1
71.01379	2.2
72.45081	0.3
73.02956	1.2
79.95739	3.9
80.96533	2.5
83.01392	0.6
84.50130	0.3
85.02969	1.4
87.00858	0.9
89.02451	0.9
96.96019	100.0
101.02430	1.9
103.00389	0.9
113.02454	1.0
135.08453	0.3
138.97110	1.8
166.96454	0.6
168.98151	0.4
175.07661	0.9
175.96500	0.3
215.10774	2.2
219.06650	1.7
233.11826	0.4
241.00188	4.3
243.05783	0.3
259.09708	4.6
260.10025	0.3
277.10764	1.5
283.01248	0.6
301.02371	0.8
313.06094	0.5
355.06998	0.7
357.26538	0.6
383.98929	0.4
421.14935	1.0
439.15823	1.0
462.20752	0.4
481.17261	0.8
501.10815	1.0
501.30692	1.4
519.11719	58.1
520.12103	8.0
561.12878	57.0
561.31573	3.1
562.13190	8.6
587.10895	1.2
604.15009	0.4
605.11810	36.6
606.12146	6.4
617.01953	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.2409
Annotation	Unknow
Peak:m/z	Relative Intensity
55.49013	0.1
61.98833	0.2
62.47282	0.2
70.79790	0.5
106.06688	0.3
120.04572	0.4
125.08919	0.2
127.85003	0.2
146.20021	0.2
150.38809	0.2
162.05629	0.2
180.01723	0.2
207.09134	0.2
228.59764	0.2
278.01715	0.2
338.12875	0.3
401.18008	0.2
415.15576	0.5
416.16287	0.7
427.19455	0.2
428.16516	0.4
429.17090	0.8
430.18143	1.4
431.18875	0.2
442.17834	0.2
443.19476	0.8
444.17389	0.2
453.16788	0.3
455.19083	0.4
456.15555	0.2
457.20813	2.3
458.17221	0.2
458.20724	0.6
459.17712	2.7
460.18631	0.5
461.23441	0.5
467.19162	0.2
468.18958	0.3
469.20450	0.3
470.21072	0.8
471.18018	1.7
472.18665	0.8
473.19748	4.5
474.20200	0.8
475.21423	0.6
485.18451	1.9
485.23904	1.1
486.20712	4.1
487.21222	1.2
488.21686	0.2
488.42163	0.2
496.19119	0.9
497.19235	0.3
499.17621	2.2
500.18356	0.6
501.22699	2.7
502.23669	0.4
503.20557	0.3
510.20844	0.2
511.21539	2.1
512.21606	0.7
513.19183	2.6
514.20038	7.8
515.20599	1.4
517.18695	0.5
518.19574	1.3
519.19794	0.3
527.21173	0.4
528.21661	0.7
529.22394	100.0
530.22760	20.2
532.21057	1.4
533.21826	2.2
534.22137	0.5
546.22754	0.3
561.25079	0.8
573.21545	1.6
574.21747	0.3
605.23877	1.6
606.24908	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.2119
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39663	0.2
59.01364	0.5
60.45157	0.2
61.98833	0.4
67.62539	0.3
68.02528	0.3
69.28961	1.4
69.29394	2.0
73.02947	5.7
75.00871	1.7
99.00875	1.6
99.55125	0.3
99.92597	10.9
100.92605	0.8
115.00415	0.6
115.04018	0.3
116.07195	1.2
116.92875	100.0
116.97243	1.4
117.01952	10.9
117.05586	1.3
117.92892	6.0
118.05080	0.4
160.21896	0.3
166.39291	0.3
169.71230	0.3
253.13480	0.3
604.42969	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.2116
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	0.7
61.98837	0.9
65.38583	0.3
69.47231	2.9
71.01395	0.7
73.02950	4.6
75.00875	1.3
76.90634	0.3
92.92903	0.3
98.19965	0.7
99.00893	1.2
99.92596	9.2
100.92637	0.6
103.24360	0.3
109.83663	0.3
115.00400	1.0
116.03560	0.3
116.07186	0.9
116.92874	100.0
116.97244	3.1
117.01952	10.0
117.02590	0.2
117.05601	1.1
117.92892	6.0
123.02809	0.3
127.00393	0.5
156.50986	0.3
188.34718	0.3
189.00572	0.4
193.05103	0.4
249.18550	0.4
268.67554	0.3
302.93118	0.4
321.78113	0.3
341.11014	0.4
470.72900	0.4
620.35968	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.3023
Annotation	Unknow
Peak:m/z	Relative Intensity
55.93720	0.3
56.23159	0.3
57.02695	0.3
59.01372	1.0
60.51163	0.3
60.99306	16.5
61.98817	0.6
66.80637	0.3
78.95895	1.4
87.00877	1.7
88.00406	4.7
88.98812	100.0
89.02448	39.5
89.99149	0.5
90.02792	0.6
96.96046	0.6
98.19748	0.8
112.03143	0.3
119.38948	0.3
129.00099	0.3
129.31610	0.3
152.99542	0.5
196.91879	0.4
603.20349	0.7
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
57.74588	0.5
59.01366	1.9
60.99306	15.7
61.98816	1.0
65.53094	0.5
70.82425	1.7
78.95923	2.4
87.00882	1.5
88.00407	7.3
88.04041	1.1
88.98814	100.0
89.02452	60.5
89.99146	0.8
90.02834	0.7
96.96032	1.9
101.16552	0.6
105.73485	0.6
148.91080	0.6
152.99611	1.0
277.21524	1.3
278.22202	0.9
279.23169	0.7
287.81723	0.7
452.29370	0.7
509.08417	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	604.4716
Annotation	Unknow
Peak:m/z	Relative Intensity
64.29297	1.6
66.63071	1.2
70.95248	3.2
70.95589	1.7
73.88290	1.3
89.05127	1.3
97.40164	1.3
109.90599	1.4
112.88017	1.3
223.20712	3.8
225.22258	19.8
226.22456	1.8
253.21671	7.8
265.21680	3.1
270.24438	3.5
271.22778	10.8
274.13705	1.5
314.27075	3.6
326.27191	2.2
383.74039	1.7
464.59772	1.4
568.49524	100.0
569.49786	23.7
604.46948	12.9
605.48022	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	605.1151
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	2.9
57.03450	9.0
59.01377	10.7
61.98824	0.5
64.80459	0.3
68.79414	0.3
69.59209	0.4
69.59545	2.9
71.01382	8.5
72.99305	0.7
73.02949	63.8
74.03288	1.0
75.00877	1.0
83.01391	37.9
84.01724	0.7
85.02957	0.8
87.00883	2.4
89.02474	0.9
96.96006	0.7
98.20696	0.6
99.00887	37.4
100.01238	1.1
101.02448	7.0
112.98766	0.3
113.02472	1.6
117.01973	1.2
119.03527	0.4
127.00391	91.8
128.00723	3.0
133.02985	0.6
142.99881	5.7
143.03557	0.4
145.01416	1.6
149.04625	0.6
161.04570	1.0
170.99373	2.2
189.00420	100.0
190.00752	3.4
203.39064	0.3
207.02991	1.0
222.05284	0.7
237.07852	0.3
301.11877	0.3
319.12659	0.4
362.15143	0.4
461.77133	0.3
501.30829	1.2
544.23547	0.3
605.17365	0.4
605.25500	1.5
606.26160	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.1721
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79946	0.9
54.74445	0.8
56.86948	1.1
59.01377	11.0
60.71261	0.9
61.98826	9.9
69.07796	0.8
70.78947	1.7
71.01385	5.1
73.02951	2.3
78.95927	1.5
83.01405	1.7
83.19091	0.8
85.02937	1.4
89.02436	1.6
96.96018	2.0
99.00925	1.0
101.02449	2.9
105.29903	0.9
108.87577	0.9
113.02455	2.5
116.92934	0.8
122.06112	0.9
122.83469	0.9
123.42061	1.0
127.00394	1.1
131.30461	0.8
150.03189	2.2
161.02478	0.8
165.05600	1.7
169.68340	0.9
195.06618	2.2
223.07571	1.5
228.50841	1.0
234.06801	1.6
235.07590	2.6
237.05458	2.3
239.07106	1.9
251.03430	1.2
251.07097	3.5
263.07053	2.0
265.05109	1.0
266.05630	0.9
266.09418	2.4
267.06564	10.1
277.04843	1.4
279.06610	26.5
280.06943	2.6
281.08148	1.2
291.06604	15.3
291.09781	1.2
292.07312	4.8
293.08105	2.0
294.08801	4.7
295.06094	32.8
296.06415	2.9
301.11795	1.6
305.08145	2.3
306.05667	1.3
306.08966	12.7
307.06128	42.7
307.09497	4.4
308.06528	4.3
309.07587	2.6
310.08441	29.8
311.08841	4.3
321.07773	5.2
322.08481	19.4
323.08798	1.9
325.10809	75.0
326.11090	9.2
337.10797	100.0
338.11139	12.3
409.62399	1.0
579.89624	1.0
592.42822	0.9
603.24750	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	601.323
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.7
55.54908	0.1
57.03445	1.4
58.00591	2.8
59.01378	52.4
59.98499	0.2
60.01715	0.6
61.98817	0.2
62.79268	0.1
67.01892	0.2
68.99807	0.3
69.03461	0.9
69.68459	0.1
71.01385	55.0
72.01730	0.8
72.99316	3.7
73.02950	3.4
75.00864	0.8
78.95943	0.2
81.03471	0.3
83.01393	5.7
83.05038	0.3
84.01736	0.2
84.02186	0.4
85.02956	9.0
86.03322	0.2
87.00883	16.7
88.01193	0.2
89.02451	50.6
90.02803	1.0
95.01392	3.4
96.95970	0.6
97.02950	1.2
97.06601	0.2
98.19887	0.3
99.00900	1.7
99.04523	0.3
101.02454	28.1
102.02808	0.6
107.03452	0.3
111.00916	0.7
112.01669	0.1
113.02461	27.4
114.02790	0.6
115.03978	0.8
117.01965	0.5
119.03516	19.1
120.03860	0.4
125.02478	1.5
125.06131	0.2
127.03962	0.1
127.07652	0.3
129.01935	0.7
131.03520	3.3
139.00320	0.2
139.07649	0.2
139.52473	0.1
141.01958	1.7
143.03522	8.7
144.03856	0.2
149.04584	1.7
159.03003	0.6
161.04570	9.3
162.04872	0.5
179.05624	19.5
179.22145	0.2
180.06001	0.7
183.03026	0.1
203.05605	0.4
205.19687	0.2
231.05165	0.1
233.22710	0.3
239.14941	0.1
245.06479	0.2
259.20612	0.5
263.23654	0.2
273.22183	0.6
275.20096	0.4
277.21707	100.0
278.22052	9.9
278.25247	0.1
279.54068	0.1
287.23804	0.1
291.23276	6.3
292.23535	0.7
301.21786	1.0
302.21890	0.2
319.22760	4.4
320.23123	0.6
323.09830	16.3
324.10220	1.3
331.22748	0.4
341.10889	48.5
342.11264	3.2
349.23816	0.5
350.24478	0.1
373.23773	0.3
391.24838	0.1
421.26099	0.2
601.32275	2.7
602.32703	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.3229
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.8
57.03438	2.1
58.00592	3.2
59.01379	41.5
61.98817	1.0
67.01926	0.3
69.03457	2.3
71.01383	53.3
71.66793	0.5
72.01721	0.7
72.99308	3.5
73.02947	10.0
75.00881	1.8
81.03466	0.7
83.01389	13.6
83.05033	0.5
84.02186	0.5
85.02958	14.7
87.00882	63.6
88.01218	0.9
89.02449	36.7
90.02808	0.6
92.90437	0.3
95.01392	4.9
95.05059	0.4
96.96046	0.6
97.02966	2.7
97.06589	0.7
99.00885	2.1
99.04490	0.3
101.02452	31.2
102.02794	0.8
107.05053	0.5
111.00889	1.5
111.08134	0.5
112.49502	0.3
113.02459	37.5
114.02802	0.7
115.04025	1.6
117.01946	0.7
119.03517	12.2
123.00904	0.3
125.02475	2.9
125.06144	0.6
129.01973	2.7
131.03513	3.4
139.00436	0.5
139.07649	1.3
141.01964	4.6
143.02437	0.7
143.03520	10.5
149.04573	1.1
155.03502	0.5
159.03024	1.3
161.04570	16.0
162.04935	0.5
179.05621	17.5
180.05916	0.4
205.19530	0.5
224.50955	0.4
255.21227	1.2
259.20758	0.4
261.22266	0.9
263.23862	1.2
264.24097	0.4
273.22272	3.7
275.20236	0.6
277.21707	100.0
278.22058	11.8
289.21896	0.4
291.23285	28.5
292.23663	3.1
301.21744	3.5
319.22781	10.0
320.23132	1.4
323.09824	23.8
324.10181	1.7
331.22818	1.0
341.10895	65.9
342.11227	3.8
349.23758	1.3
359.32446	0.3
373.23807	0.5
379.24957	0.4
385.71671	0.3
503.24268	0.3
601.32446	2.5
602.32690	0.4
611.90576	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.324
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05496	0.1
59.01378	0.5
61.98830	100.0
62.98526	0.2
64.07934	0.1
69.34612	0.9
71.01395	0.3
73.02947	0.2
78.95937	0.2
83.01401	0.1
85.02991	0.1
89.02451	0.1
96.96044	0.3
99.00951	0.1
101.02442	0.2
113.02467	0.1
127.00392	0.2
128.03563	0.1
139.47443	0.1
146.03777	0.2
150.03230	0.2
164.04840	0.1
165.05603	0.3
170.63251	0.1
177.05652	0.1
179.07187	0.2
189.00488	0.2
195.06694	0.2
256.95508	0.1
263.99680	0.1
373.13019	0.1
484.27316	0.1
540.34796	0.2
562.71954	0.1
600.32770	0.4
601.23749	0.1
601.32697	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	601.1533
Annotation	Unknow
Peak:m/z	Relative Intensity
56.17373	0.3
57.92984	0.3
67.12332	0.3
70.21403	0.3
71.64252	0.8
74.98401	0.4
78.95906	2.9
81.29266	0.4
92.46628	0.3
94.14119	0.4
96.55519	0.4
96.96022	1.0
96.96980	3.5
97.04192	0.4
104.36945	0.4
107.03651	1.2
108.02087	1.3
108.88330	0.3
111.09349	0.3
126.03106	1.9
130.08763	0.4
131.01823	0.4
133.01575	11.3
150.04228	86.6
151.04704	2.4
156.99907	0.4
158.99727	0.9
167.07906	0.3
173.87569	0.3
259.02084	1.9
259.09445	0.6
259.12915	0.9
263.09253	0.3
282.08432	100.0
283.08737	6.8
318.06100	22.6
319.06323	1.6
446.22684	0.4
531.27466	0.4
560.09454	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
56.55154	0.3
56.96984	0.3
58.00598	0.4
59.01378	6.5
59.68296	0.3
61.91224	0.3
61.98825	0.6
63.47292	0.3
69.75455	1.5
69.75867	0.8
70.02983	1.7
71.01382	4.5
71.05016	1.8
72.99308	3.1
73.02964	0.8
75.00877	34.9
76.01215	0.6
83.01389	0.7
85.02952	0.6
87.00867	0.8
87.05637	1.0
89.02457	7.5
95.01401	0.7
97.02971	0.5
98.19891	0.4
99.00880	0.8
99.04551	0.7
101.02498	0.4
105.03474	2.6
107.47275	0.3
113.02419	0.4
114.74792	0.3
116.07190	0.4
117.01976	1.7
117.03466	0.7
119.05004	0.4
123.04527	0.4
125.02483	1.1
130.03368	1.9
131.03552	0.4
131.05019	0.4
133.03000	3.4
135.03021	100.0
136.03343	1.9
142.99883	1.0
146.08252	14.4
147.06021	0.9
149.02467	2.6
151.03999	0.9
161.02469	14.2
162.02861	0.6
163.04050	1.2
165.02031	0.4
173.06110	0.4
175.04088	1.0
177.01973	6.4
178.02354	0.4
179.03539	1.3
179.07120	0.6
183.03966	0.3
187.04167	0.3
189.01944	1.2
191.03487	0.9
193.01509	0.4
195.03105	0.7
199.71977	0.4
203.07140	0.7
205.01430	2.3
207.03009	0.9
217.11955	3.8
233.00861	0.4
233.06714	0.7
264.03400	0.4
277.12274	12.6
278.12622	0.8
279.05215	1.2
310.43347	0.3
323.04089	7.9
324.04477	0.5
325.80899	0.3
335.07187	0.4
444.34747	0.4
446.58841	1.1
453.13513	0.9
455.14926	11.4
456.15271	1.6
465.13327	8.5
466.13998	1.2
481.12717	0.5
483.14432	6.5
484.14975	0.8
511.13995	2.1
541.15576	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	599.2862
Annotation	Scutianine J
Peak:m/z	Relative Intensity
59.01378	0.7
61.98832	1.0
69.37331	2.5
78.95931	0.2
93.03465	1.1
93.76418	0.2
95.05040	0.4
105.03458	0.7
107.68954	0.2
108.02196	1.3
112.70895	0.2
115.12579	0.2
120.02171	0.3
121.02991	1.3
123.04540	1.3
132.02203	0.8
133.02974	2.6
148.01701	0.9
149.02448	1.6
151.04048	0.2
157.08766	0.2
176.01175	7.5
177.01942	100.0
178.02284	4.8
201.18166	0.2
213.10295	0.2
277.21722	3.4
278.22232	0.4
321.06122	0.2
339.07108	0.7
563.38770	0.3
581.39697	0.5
599.28656	22.4
600.28986	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	600.3238
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03461	0.1
59.01382	0.5
61.98829	100.0
62.98532	0.3
69.48086	0.5
69.48508	0.4
71.01387	0.3
73.02966	0.2
78.95919	0.1
83.01386	0.1
85.02972	0.1
88.98810	0.1
91.18456	0.1
96.96073	0.2
99.00931	0.1
101.02465	0.2
105.40669	0.1
113.02454	0.1
123.04521	0.1
127.00402	0.2
128.03577	0.1
165.05624	0.1
177.01952	0.2
189.00410	0.2
191.05540	0.1
248.13187	0.1
254.07761	0.1
255.11298	0.1
540.34979	0.4
600.31824	0.2
600.40106	0.2
601.23950	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.2708
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	4.7
57.78214	1.3
59.01374	11.6
61.98829	13.8
69.03465	4.4
71.01389	8.9
71.72431	2.8
73.02964	6.7
83.01372	2.7
89.02457	1.5
95.05023	1.5
96.96022	16.3
99.00874	3.4
99.04523	22.3
101.02412	4.1
111.08176	2.1
113.02451	2.8
113.06066	1.4
122.06101	3.1
123.08146	2.1
127.00398	4.8
139.07635	1.9
155.07123	2.9
160.07608	1.7
189.00394	5.2
253.95729	1.5
257.12714	2.3
285.12479	5.2
333.20578	4.3
351.21747	100.0
352.22086	12.3
372.99268	1.4
432.19150	3.3
511.24060	1.7
513.26459	2.6
555.28375	3.2
599.27203	21.5
600.27362	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	598.2807
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00315	0.6
58.02975	7.3
59.01370	2.5
59.11827	0.7
60.54264	0.5
61.98578	0.7
61.98832	6.4
65.51735	0.5
66.03484	0.8
69.42850	1.6
69.43270	4.0
70.02970	0.7
71.01396	1.3
72.00907	1.3
73.02949	1.9
74.02478	15.0
81.08668	0.5
82.02974	1.3
83.01382	1.3
84.04520	0.6
86.02486	7.2
86.06107	0.7
86.99113	1.4
87.05644	3.6
90.00166	1.4
96.96035	3.4
97.04128	1.2
99.00930	1.3
99.05040	1.1
99.05652	13.9
101.07208	2.7
102.05617	2.1
107.06205	0.9
109.04073	2.6
109.07713	1.0
111.05682	1.1
112.04066	1.7
116.01778	1.4
119.73806	0.6
123.05632	1.8
124.04037	0.9
125.03590	1.5
127.00391	3.3
127.05143	2.4
128.03557	35.9
128.78471	0.7
129.03867	0.8
135.05670	3.9
137.07178	0.7
141.06728	4.0
143.04642	50.7
144.05019	1.4
145.06194	2.1
146.04628	5.1
153.06699	3.4
155.08261	0.7
160.00757	14.0
166.09871	2.2
167.04619	4.2
167.08237	2.3
170.03412	0.9
171.04152	1.0
177.03374	4.8
179.04637	10.1
181.06203	1.7
184.10951	0.8
185.05714	1.0
187.00827	0.6
189.00439	4.8
190.00739	1.0
192.07726	0.9
197.05670	2.4
209.12109	0.8
210.08836	9.4
242.07797	1.5
254.07814	15.4
255.08076	0.9
272.08862	28.0
273.09140	1.7
288.06601	9.4
306.07654	100.0
307.07947	7.0
351.21631	0.7
427.59131	0.7
502.35535	0.7
527.52332	0.6
580.27216	0.6
598.28094	11.9
599.27795	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	597.4126
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	2.5
58.02976	10.5
59.01383	2.3
61.12068	1.2
61.98838	6.0
67.64121	1.2
69.85715	2.6
69.86125	5.3
71.01385	2.8
73.02957	9.0
78.95914	1.5
82.57816	1.2
83.01404	5.6
85.02975	3.0
96.96013	10.2
96.96963	2.3
97.06591	3.7
99.00899	5.0
101.02451	1.7
109.66635	1.2
121.49928	1.2
127.00380	17.7
171.10297	4.6
181.72020	1.3
183.13914	3.4
189.00410	23.5
205.23906	1.2
209.11838	1.8
211.13400	17.9
212.13760	1.8
221.11833	2.0
225.19725	3.0
226.18089	1.5
229.14468	11.2
238.09987	1.3
239.12761	2.4
258.28717	1.1
269.18622	9.0
291.11276	1.5
291.19717	3.0
327.21759	100.0
328.22095	11.5
597.24298	3.9
597.33197	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	598.2802
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02977	11.6
59.01375	1.3
61.98815	3.9
66.03481	1.3
71.01372	1.4
71.66631	1.4
72.00900	0.9
72.44780	0.8
72.97530	2.4
74.00690	1.2
74.02478	25.9
75.00819	0.7
81.04575	1.8
82.02985	3.3
83.01395	0.8
84.04530	1.2
86.02482	10.8
86.06117	1.5
87.05643	4.8
88.04042	1.3
96.96020	0.9
97.04077	2.9
99.05653	22.9
100.00407	2.4
101.07233	3.9
102.05631	3.9
109.04058	4.6
109.07692	0.9
111.05640	2.6
112.04061	2.9
123.05666	1.5
124.04013	1.0
125.03629	3.7
125.04386	0.8
127.05125	2.8
128.03554	63.0
129.03903	2.1
135.05656	7.9
137.07220	0.7
141.06731	3.7
143.04636	84.5
144.04947	1.6
145.06165	2.8
145.91771	0.8
146.04604	7.4
146.94658	0.9
149.07178	1.0
151.05191	1.0
153.06689	3.8
165.12798	0.9
166.08586	0.6
166.09837	4.9
167.04604	3.0
167.08257	4.7
169.06184	1.5
170.03271	1.9
171.04283	1.7
179.04642	20.3
180.04944	0.8
181.06194	2.6
184.10872	1.4
185.04005	1.0
185.05690	2.0
192.07759	2.3
197.05661	3.4
205.31447	0.7
209.82664	0.8
210.08862	15.9
211.09225	0.9
223.13425	1.0
228.09912	1.7
254.07816	44.9
255.08112	2.4
256.11417	2.0
272.08853	100.0
273.09259	6.7
287.22003	1.1
291.19604	3.3
304.05930	1.1
325.18460	4.3
469.23972	3.8
580.26996	5.3
581.27136	1.3
598.28009	49.0
599.28058	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	597.3496
Annotation	Unknow
Peak:m/z	Relative Intensity
54.79401	0.5
55.01880	1.4
55.77859	0.6
57.03454	2.8
59.01376	19.3
61.98830	100.0
63.36097	0.6
71.01385	16.8
72.99313	0.8
73.02958	8.6
75.00881	0.6
78.95906	1.0
83.01388	5.3
83.32274	0.6
85.02963	6.4
87.00877	1.7
89.02447	9.0
95.01402	1.2
96.00932	0.6
96.96044	2.7
96.96986	0.8
97.06630	0.7
98.02544	0.6
99.00885	5.1
101.02458	10.8
113.02466	6.3
114.15678	0.6
116.92903	1.4
119.03514	3.4
123.08234	0.7
125.02468	0.8
127.00381	9.5
127.08968	0.6
133.01419	0.9
141.11644	0.6
142.99837	0.8
153.09204	0.9
156.42664	0.5
159.02977	0.9
161.04584	3.4
163.04062	0.7
164.75818	0.6
169.43768	0.7
173.11864	0.8
179.05646	1.4
185.22852	0.6
189.00438	16.3
189.02170	0.8
190.00803	1.0
199.13469	2.4
217.14470	6.8
229.88338	0.8
253.04509	0.8
319.17725	2.6
349.18716	3.1
375.27444	3.0
379.19714	21.3
379.24622	1.2
380.20364	2.5
508.32553	0.7
519.31659	8.8
520.32233	1.4
537.32709	17.3
538.33057	4.0
597.22931	1.8
597.32227	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.3494
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61503	1.3
55.01880	2.1
57.03441	7.4
58.00593	3.3
59.01377	53.7
61.98829	78.5
62.33564	1.1
64.16224	1.1
66.33772	1.3
68.60293	1.1
69.69975	9.8
71.01382	51.4
72.99303	3.4
73.02951	19.4
75.00864	2.4
78.95877	1.1
83.01391	11.1
83.05038	1.4
85.02956	20.3
87.00889	3.0
87.04514	11.5
89.02446	21.6
95.01395	4.8
96.96002	3.1
97.02936	2.4
97.06599	1.2
99.00884	10.4
99.92624	1.2
101.02447	33.0
104.36584	1.2
109.06609	3.0
113.02446	23.7
116.92863	2.4
119.03518	8.3
123.08190	2.6
125.02438	2.3
127.00378	11.7
129.09169	1.4
135.04572	1.6
135.08151	1.9
138.06908	1.6
143.03502	2.2
151.11255	1.4
153.09222	10.6
159.02968	2.8
161.04564	18.7
169.12257	1.2
173.11818	8.0
179.05634	1.5
181.12389	1.5
187.13458	2.5
189.00386	20.6
191.05600	2.1
197.11658	1.3
199.13394	16.8
217.14442	100.0
218.14891	6.1
231.15987	2.1
253.04684	2.1
319.17596	66.9
320.17841	5.3
349.18643	24.2
350.18997	3.1
360.71490	1.2
375.27359	5.2
397.13495	8.2
415.14627	3.5
416.01807	1.2
416.14813	1.3
459.83582	1.3
519.31677	18.2
520.31860	2.8
537.32703	49.8
538.32910	7.6
597.31335	6.6
598.31464	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	595.2913
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53441	1.3
53.33705	1.4
58.64513	1.3
59.01382	7.3
61.98840	8.7
67.15141	1.4
68.10934	1.2
71.01389	5.8
71.71527	2.3
73.02962	2.7
83.01392	2.3
83.38948	1.4
85.02959	1.6
95.20760	1.3
101.02422	2.2
113.02446	2.0
117.03496	6.2
127.00392	2.5
133.02956	6.0
134.03754	98.7
135.04477	5.8
137.02457	3.6
137.09758	2.3
137.41850	1.4
149.06104	8.8
178.02748	5.0
179.03496	8.5
189.00479	2.1
189.85741	1.4
193.05069	100.0
194.05388	5.4
219.17593	2.2
259.62003	1.6
263.16544	4.2
267.93372	1.5
271.22708	7.1
281.17624	15.4
313.10809	78.2
314.11185	8.7
328.05612	2.0
329.17575	14.0
375.83237	1.5
433.28091	11.4
595.33319	33.5
596.33563	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	595.3495
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03203	2.0
57.03454	20.3
59.01379	100.0
60.01698	1.0
61.98830	5.0
67.06364	1.1
71.01379	1.6
71.22308	2.8
72.53661	1.0
78.95910	5.0
86.10887	1.0
101.02464	1.2
107.72031	0.9
113.35038	1.0
119.04990	0.9
121.76194	1.1
152.99583	2.2
161.04582	1.4
163.07675	18.3
164.07956	1.3
209.19135	14.9
210.19450	1.3
223.20668	8.8
249.22282	4.0
255.23361	1.3
267.02380	1.2
329.24854	4.6
336.25677	1.0
339.66986	1.2
373.27499	69.6
374.27853	11.3
377.64755	1.1
502.36810	1.1
518.23224	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.1081
Annotation	Unknow
Peak:m/z	Relative Intensity
56.63572	0.2
59.01382	1.5
60.30295	0.2
62.96417	0.4
64.63844	0.2
70.01367	0.8
70.01784	0.5
71.01379	1.3
72.99319	0.4
75.00884	0.5
76.67422	0.2
78.95910	100.0
79.95766	0.4
85.02977	0.5
86.83891	0.2
87.00858	0.3
89.02431	0.3
96.96025	13.8
96.96979	20.9
98.95603	0.8
99.00922	0.3
101.02441	0.5
109.24773	0.3
111.02037	0.4
113.02467	1.1
132.03053	0.3
136.94020	0.3
136.96498	0.3
138.98064	0.5
152.99615	0.2
157.01503	0.3
158.92551	0.6
168.99026	0.3
212.92926	0.2
221.69710	0.2
232.88286	0.6
238.88026	0.4
240.87503	0.3
241.01183	2.7
254.85164	1.8
259.02216	11.5
276.89020	0.2
301.03424	0.4
323.02890	0.4
333.05872	0.4
334.87244	0.2
337.07819	0.5
354.85614	0.3
373.05362	1.1
378.82068	0.4
392.80704	0.4
417.04526	0.6
425.26840	0.3
434.76706	0.2
499.12988	1.0
504.86584	0.3
536.69354	0.3
597.10767	47.1
598.11108	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	597.2191
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	57.8
69.54243	4.6
76.30988	0.6
121.02956	4.4
122.03794	2.9
146.03745	7.9
147.04588	1.0
149.02454	38.8
150.03249	27.5
161.06053	2.9
164.04799	15.8
165.05585	44.9
166.05930	2.0
179.07135	17.7
180.04317	3.7
180.07483	0.7
191.34050	0.6
195.06635	45.3
196.07014	2.9
268.07297	0.9
280.07343	1.0
281.07990	0.7
283.09723	1.7
312.10013	20.1
313.10233	2.6
327.12372	100.0
328.12656	11.2
371.95703	0.6
375.14474	40.5
376.14706	4.9
399.47940	0.6
472.74808	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11301	0.2
59.01378	23.3
61.98828	0.5
63.56075	0.2
70.18576	0.2
71.01380	0.4
71.71642	0.5
85.02968	0.4
93.76379	0.2
96.73701	0.3
96.95995	0.4
99.00859	0.3
105.29881	0.2
106.04223	0.4
120.02168	0.5
121.02986	1.8
122.03758	0.4
127.00387	0.4
129.23087	0.2
133.02986	0.4
134.03754	1.8
135.03894	0.2
140.66589	0.2
145.13358	0.2
149.02406	1.4
150.03239	5.7
151.03763	0.3
154.39426	0.3
161.02510	0.5
162.03235	65.1
163.03580	3.5
164.04739	0.3
165.05586	7.5
166.05814	0.3
177.05577	100.0
178.05927	6.0
180.04239	0.4
189.00450	0.7
191.05505	0.4
195.06621	6.3
196.06914	0.5
209.04575	0.8
215.02774	0.3
229.03316	0.2
244.22829	0.3
249.05495	0.5
255.02959	0.4
262.06259	0.5
278.05746	0.8
281.08313	0.7
283.02368	0.7
284.02814	0.7
285.03394	0.8
293.08130	0.5
295.06189	0.5
310.08405	0.8
325.10815	6.7
326.11246	0.6
355.11737	1.0
361.16641	0.4
373.12881	2.1
431.09329	0.3
449.09802	0.7
595.15796	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2889
Annotation	Unknow
Peak:m/z	Relative Intensity
55.06573	0.4
71.50095	1.0
78.95906	66.3
81.66926	0.4
91.18761	0.4
96.96969	11.5
96.97606	0.6
108.40868	0.4
117.56999	0.4
126.14647	0.4
150.98090	0.9
152.99597	89.0
153.99933	1.8
171.00691	2.3
195.13358	0.4
223.00130	9.0
223.02318	0.4
241.01181	25.9
242.01616	0.7
259.02170	0.9
261.22015	0.7
279.23276	61.4
280.23611	8.1
315.04868	13.8
315.07852	0.3
316.05087	0.6
333.05844	1.2
353.95178	0.5
595.28894	100.0
596.29230	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	595.2889
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.2
61.98831	2.8
69.29592	5.4
73.02928	1.1
78.95906	72.7
95.52969	0.6
96.96972	14.6
99.00908	0.5
127.00433	1.2
136.88702	0.5
139.40123	0.5
150.98027	1.4
152.99603	74.0
153.99948	1.1
163.51582	0.5
171.00653	1.2
189.00394	1.4
210.35912	0.5
223.00099	1.6
241.01176	30.3
242.01476	0.7
279.23279	62.3
280.23560	6.9
315.04877	8.6
316.76166	0.6
407.81952	0.5
415.22610	4.7
416.23071	0.7
433.23520	5.4
434.24292	0.7
595.28888	100.0
596.29205	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	594.1316
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.6
61.98831	100.0
62.98553	0.3
68.50877	0.3
68.98054	0.3
71.01389	0.8
71.59809	0.4
83.01398	0.5
87.00909	0.7
90.41147	0.3
99.00887	0.5
109.02964	0.5
111.00922	1.0
115.00394	1.7
115.92115	0.3
136.56522	0.3
139.00345	1.4
144.04570	0.6
149.02477	0.7
156.00670	1.7
157.01396	2.6
161.02538	0.4
163.04054	0.4
174.01746	0.9
175.02512	2.4
176.24277	0.3
177.05589	0.3
188.03448	0.4
190.02780	0.4
191.03535	0.9
191.05498	0.5
193.05035	2.1
194.05627	0.3
206.02219	0.5
207.06677	1.2
219.06921	0.3
231.06662	0.4
232.97534	0.3
233.04616	1.1
234.05293	1.2
275.05673	0.4
279.05063	0.4
289.07285	0.8
296.43805	0.2
307.08228	9.3
308.08582	0.6
309.06046	0.4
451.12521	0.5
469.13531	7.3
470.13821	1.2
471.11456	1.9
495.11539	0.5
513.12335	4.0
514.12958	0.6
531.13464	0.4
594.13397	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1302
Annotation	6-Hydroxyluteolin 7-xylosyl-(1->6)-glucoside
Peak:m/z	Relative Intensity
58.93363	0.3
59.01379	2.5
61.98809	0.3
63.02394	0.4
65.00325	1.4
69.33793	0.9
69.34204	2.8
71.01376	1.5
73.02942	0.5
81.82983	0.3
82.57395	0.4
83.01403	1.3
89.02451	0.5
89.81622	0.3
96.95997	0.4
98.02468	0.4
101.02464	0.4
102.60453	0.6
107.01407	2.5
108.02193	1.4
109.02951	1.2
119.01443	0.4
121.02950	1.9
122.45734	0.4
127.00388	0.4
135.00883	0.7
145.54318	0.4
148.01685	1.1
151.00375	11.9
152.00822	0.9
163.00375	2.4
164.01132	0.5
169.01463	0.8
178.02701	0.4
178.99861	6.8
179.07303	0.4
183.04501	0.6
187.04054	0.7
189.00494	0.7
193.05060	0.7
194.24217	0.4
199.04039	0.8
201.05602	0.4
211.04015	0.9
215.03549	0.5
216.04254	0.8
226.02679	1.3
227.03571	3.1
229.04964	0.7
239.03407	0.7
243.00475	0.5
243.02966	9.7
244.03535	0.8
245.04533	1.3
254.02231	2.2
255.02974	22.0
256.03418	2.3
269.14001	0.4
271.02460	49.2
272.02924	5.5
273.03928	1.1
283.02499	1.2
299.01898	1.7
300.02753	87.4
301.03430	38.7
302.03833	2.8
343.04501	0.7
373.12967	0.8
442.65570	0.4
511.37106	0.4
523.49078	0.4
535.30719	0.9
545.06738	0.4
595.13037	100.0
596.13403	18.2
596.23041	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.3547
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.3
57.03442	3.6
59.01379	100.0
60.01715	1.5
60.32740	0.7
61.98827	10.9
67.36083	0.7
71.01385	11.0
71.61650	1.4
73.02954	10.7
75.00868	1.9
77.59574	0.8
78.95914	2.3
80.96489	0.8
83.01398	6.0
85.02956	5.9
88.98832	1.6
89.02455	1.7
95.01395	1.9
96.96033	3.1
96.96968	1.0
99.00893	7.5
101.02469	5.8
113.02478	5.5
125.02467	1.4
127.00392	11.5
135.68211	0.9
142.99840	0.8
143.03516	1.9
152.99568	1.3
161.04517	1.2
171.10406	1.1
171.13943	1.6
181.08733	1.3
189.00421	14.5
190.00691	1.0
209.11836	1.6
262.68945	0.8
284.03528	1.1
285.03949	2.4
299.25940	2.9
306.97159	0.8
345.26340	1.3
345.30124	8.3
346.30957	0.8
483.85062	1.0
489.34344	45.5
490.34744	7.3
507.35489	8.8
508.35388	1.6
537.90063	0.8
549.36761	1.8
550.37073	1.1
593.31543	1.0
594.22162	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.3547
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	1.4
57.03451	3.8
59.01380	100.0
60.01703	1.4
61.98829	11.3
69.03448	1.3
71.01392	13.8
71.60523	1.4
72.99294	1.7
73.02952	13.3
75.00880	3.1
78.95916	7.5
83.01396	9.2
85.02960	8.8
87.00864	1.8
88.98800	2.9
89.02439	2.2
95.01404	1.3
96.96022	1.3
97.02950	1.8
99.00893	8.3
101.02447	6.5
111.00857	0.9
113.02462	7.0
115.04070	1.4
125.02486	1.7
127.00389	16.0
142.99855	1.3
143.03487	4.1
148.69803	0.9
161.04564	2.7
171.10257	1.9
188.98865	1.2
189.00436	18.3
190.00871	1.1
264.14960	0.9
298.33817	0.8
299.25967	1.6
345.30154	7.2
449.27457	2.1
453.31851	1.0
489.34326	43.2
490.34610	7.0
507.35403	17.5
508.35553	3.4
549.36426	1.7
594.30170	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	593.2818
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	0.7
57.03434	2.4
59.01379	36.1
61.98836	5.2
63.80670	0.7
69.03432	1.2
70.32501	2.7
71.01386	16.1
71.05022	2.1
72.99306	1.0
73.02948	14.9
75.00894	0.8
77.63382	0.7
81.73045	0.7
83.01392	4.0
83.05033	1.0
85.02969	3.5
87.00873	2.6
89.02449	7.7
95.01363	0.9
95.05062	0.9
96.95998	1.1
97.02948	0.8
99.00892	3.5
99.08165	0.9
101.02455	12.7
102.02773	1.2
102.42480	0.6
113.02463	4.6
113.09710	1.2
119.03499	2.7
123.08124	1.7
127.00417	3.6
143.03539	1.7
149.75682	0.7
161.04610	1.2
165.12813	2.6
171.30440	0.7
177.01863	0.8
179.14403	1.1
183.13950	1.0
184.91440	0.7
186.17551	0.8
189.00412	5.3
191.05638	1.9
207.17534	1.3
209.11800	2.6
227.12930	1.7
229.05069	1.0
243.43144	0.7
247.20685	1.4
253.09343	1.1
255.03018	1.1
265.21713	1.4
284.03342	0.9
285.04019	1.7
291.19705	1.0
309.20694	1.7
327.21674	5.5
328.21933	1.1
341.77066	0.7
343.02209	0.7
345.22824	3.2
348.92087	0.9
352.95016	0.7
364.21048	0.7
421.77448	0.8
471.26093	1.7
489.27182	2.4
507.28192	4.4
533.29333	0.8
549.29077	100.0
550.29309	16.8
593.14990	2.1
593.23547	0.8
624.05640	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2736
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36543	0.4
59.01368	1.2
67.29646	0.4
71.01414	0.6
78.95910	62.5
96.96977	11.6
134.54637	0.4
150.98039	0.7
152.99605	92.2
153.99933	1.7
171.00703	2.7
222.98112	0.7
223.00154	10.2
233.22653	1.0
241.01186	24.9
242.01584	0.8
259.02185	1.3
277.21719	44.9
278.22073	4.7
285.85913	0.4
315.04883	13.8
316.05093	0.8
333.05838	1.2
365.26913	0.8
411.70584	0.4
593.27338	100.0
594.27643	18.2
619.23322	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2734
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.4
61.98807	0.3
64.39118	0.4
70.06194	0.4
70.71811	1.1
78.95908	68.2
96.96976	12.0
98.20573	0.4
150.97998	1.0
152.99602	97.8
153.99947	1.7
163.53203	0.3
171.00639	2.9
223.00130	11.2
223.02327	0.6
224.00461	0.4
233.22830	0.4
241.01195	24.7
242.01595	0.8
259.02237	2.0
259.20483	0.4
275.20285	0.5
277.21713	53.1
278.22095	6.0
315.01175	0.8
315.04871	13.5
316.05231	0.8
333.05927	0.9
379.76035	0.3
423.96121	0.3
593.27325	100.0
594.27686	19.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2818
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20349	0.2
55.01879	0.6
57.03441	0.5
58.00572	0.6
59.01377	68.9
60.01712	0.9
61.98835	1.6
69.03474	0.8
70.23619	1.2
71.01385	14.8
71.04996	0.3
71.64925	0.2
72.01755	0.3
72.99313	0.7
73.02950	13.5
74.03297	0.4
74.83441	0.3
83.01392	3.9
85.02958	3.6
87.00880	1.5
87.06154	0.3
89.02448	7.5
91.38849	0.3
95.01395	0.7
96.96035	0.7
97.02957	0.5
99.00903	1.0
99.08185	0.6
101.02454	12.9
101.57332	0.3
113.02465	4.8
113.03193	0.5
119.03513	2.9
125.02457	0.6
127.00381	0.5
129.09203	0.3
131.03534	0.7
141.09315	0.5
143.03542	0.8
149.04552	0.6
161.04579	1.0
164.93489	0.3
165.12830	0.8
167.10832	1.2
179.05658	0.4
183.13921	0.3
189.00423	0.8
247.20755	0.3
249.18642	0.5
285.20523	0.3
327.21561	0.3
429.24908	0.6
447.25797	1.0
469.44159	0.3
489.27005	1.5
490.27612	0.4
507.27979	2.3
508.28397	0.6
531.28058	4.6
532.28430	0.9
543.23663	0.3
549.29065	100.0
550.29395	16.9
593.15186	0.6
613.31140	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2638
Annotation	Isochondrodendrine
Peak:m/z	Relative Intensity
57.03418	0.5
59.01387	3.5
61.98829	5.5
63.96229	0.6
69.03455	0.7
71.01391	5.9
73.02947	2.0
77.33415	0.6
78.95907	1.4
78.98596	4.2
79.95744	30.5
80.96523	49.8
83.01424	0.8
85.02964	2.1
87.00881	2.0
94.98100	11.9
96.96017	1.5
97.02975	1.1
99.00862	0.9
100.54477	0.5
101.02458	2.5
106.98080	2.0
117.81048	0.5
122.97595	3.2
125.02444	1.8
127.00420	0.8
134.97615	3.5
136.99155	1.2
142.02574	0.6
148.99176	4.7
151.00375	0.5
152.98640	5.3
161.04593	1.6
164.97350	0.6
164.98650	9.6
189.00351	1.2
195.13910	1.8
206.99648	2.8
225.00737	14.3
229.84711	0.6
241.00208	2.2
277.21701	1.8
295.22769	9.1
299.04501	3.5
315.03967	1.2
371.06528	2.1
385.08197	0.8
399.09381	2.1
413.11160	1.3
441.14307	1.2
455.15900	2.8
495.18900	2.7
520.30426	8.7
523.18634	0.7
593.26373	100.0
594.17175	1.0
594.26703	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	593.2734
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68943	0.5
59.01368	1.1
59.42979	0.5
61.98806	1.7
71.36756	1.0
72.05949	0.5
76.12663	0.5
78.95907	66.9
83.05061	0.6
87.88826	0.5
93.03413	0.7
94.88251	0.5
96.96967	16.5
121.02972	0.7
126.85764	0.6
127.07665	0.5
127.55213	0.5
141.25485	0.5
150.98007	0.8
152.99597	59.2
153.99971	1.2
223.00148	1.7
241.01175	29.7
242.01466	1.3
259.02118	0.8
277.21713	47.2
278.22110	5.0
315.04810	10.1
413.20972	4.8
431.22025	1.1
431.73428	0.6
593.27307	100.0
594.27692	18.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2456
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65496	1.4
55.01892	1.4
57.03446	12.0
58.00600	2.7
59.01378	92.3
61.98833	25.6
71.01386	54.7
71.66627	2.0
72.99313	4.2
73.02946	15.3
75.00909	1.9
77.11159	1.3
78.95935	2.5
83.01391	9.7
85.02952	17.7
87.00884	11.7
89.02454	54.3
95.01394	2.4
96.96027	7.4
96.96966	3.3
99.00898	5.7
99.04519	7.1
99.92612	1.7
101.02454	42.6
107.01409	1.7
113.02462	29.4
114.05613	3.4
115.92084	2.7
116.92860	8.5
119.03510	16.3
120.99680	2.3
123.00873	1.8
123.04538	3.0
123.08308	1.5
125.02464	5.5
127.00417	4.1
128.03621	1.9
131.03503	14.3
132.03806	1.2
143.03534	5.6
149.04628	1.8
159.02966	2.9
161.04572	24.4
162.03232	11.9
165.12848	2.0
175.02446	1.6
175.03949	2.8
177.01898	1.4
177.05568	16.7
178.02696	2.1
179.05626	43.2
182.91312	1.4
187.03995	2.0
189.00427	7.3
193.05103	3.3
201.05537	1.7
207.13924	20.9
208.99379	1.4
209.11839	6.1
211.04012	1.8
217.05147	1.2
221.06677	35.8
227.03484	24.0
228.03839	1.5
229.05060	8.8
241.05193	1.6
251.12810	3.3
255.02980	42.9
256.03516	6.1
257.04486	5.2
263.07684	34.0
269.13931	22.4
270.14374	1.7
283.17957	2.0
284.03256	49.6
285.04050	61.1
286.04437	6.8
323.09702	2.7
327.05377	1.8
341.10522	5.7
345.22928	4.1
359.14932	1.8
371.11557	12.1
371.15973	2.3
387.20313	3.0
429.21255	4.6
431.19247	4.9
473.20459	4.2
502.19827	1.5
515.28851	1.8
531.24670	8.2
533.29486	4.5
549.29150	2.3
575.23328	4.2
593.15131	78.9
593.24615	100.0
594.15466	16.8
594.24902	18.2
594.33252	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	593.1514
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49871	0.2
59.01091	0.4
59.01367	2.8
59.52098	0.2
61.98823	0.8
62.73468	0.3
63.02389	0.6
65.00323	0.8
69.98022	1.1
69.98443	0.5
73.02946	0.6
83.01395	1.1
85.02978	0.3
89.02440	0.8
93.03460	0.6
101.02451	0.9
107.01423	1.8
109.02962	0.4
113.02463	0.4
119.03535	0.3
120.71288	0.2
125.02451	0.6
132.02188	1.1
135.00906	0.9
143.05034	0.4
151.00401	3.5
153.01895	0.4
159.04509	0.4
159.67822	0.3
161.04585	0.3
163.00392	1.6
164.01132	0.6
165.02002	0.3
169.01375	0.4
174.03210	0.5
178.99850	0.3
179.05641	0.8
182.03685	0.4
183.04523	0.7
185.06053	1.2
187.04062	1.5
189.00346	0.3
189.05605	0.8
190.99945	0.3
195.04555	0.4
197.05994	0.8
199.03926	0.7
199.19604	0.3
200.04710	0.5
201.05565	0.5
207.13812	0.4
208.00134	0.3
209.08347	0.4
211.03951	1.6
213.05576	0.9
227.03493	33.8
228.03847	3.2
229.02725	0.4
229.05038	5.0
239.03528	1.0
240.04132	0.3
241.05025	0.8
255.02979	64.6
256.03497	8.5
257.04489	3.4
265.98550	0.3
267.03006	0.5
269.04404	0.4
283.02493	0.8
284.03244	89.7
285.03949	37.1
286.04413	2.9
299.05762	0.3
327.05157	1.2
341.10910	0.5
435.79416	0.3
593.15131	100.0
594.15436	18.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.2616
Annotation	Pheophorbide a
Peak:m/z	Relative Intensity
61.98822	0.4
69.53251	2.4
90.72478	0.2
96.07639	0.3
98.20239	1.1
106.06628	0.8
159.61916	0.2
215.10208	0.2
238.55630	0.3
396.17368	0.7
429.16656	0.4
431.22467	0.3
441.21027	0.4
443.22928	1.8
444.18738	0.5
445.19556	1.8
455.22604	0.7
456.22885	1.0
457.20184	1.1
458.21021	0.6
459.21835	2.1
461.23410	0.4
462.20932	0.3
467.18762	0.5
470.17117	0.3
471.21069	1.2
471.25735	2.1
472.23087	1.9
473.23853	1.3
474.23404	0.3
476.18448	0.5
481.20770	0.3
482.21030	1.6
483.21408	0.5
484.18924	0.5
485.19733	2.7
486.20013	0.5
487.25577	2.7
488.22974	0.3
488.25491	0.4
489.22690	0.5
497.23337	3.0
498.23782	0.9
499.21246	3.8
500.22079	11.6
501.22287	2.3
504.21417	0.7
513.22699	0.5
514.23981	1.2
515.24487	100.0
516.24805	20.9
518.23199	0.6
519.24097	0.9
547.27087	0.7
559.23596	5.0
560.23999	1.0
591.25360	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.3391
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	2.7
58.40840	1.8
59.01378	100.0
61.87697	1.6
61.98819	8.4
71.01379	17.9
71.42288	3.0
73.02955	5.8
78.68860	1.5
83.01403	5.0
85.02942	9.3
87.00843	1.8
89.02462	2.7
95.01408	1.6
96.96021	3.4
99.00876	3.5
101.02441	9.2
113.02462	9.4
125.02465	2.4
127.00358	2.5
143.03485	3.1
161.04512	3.1
171.13927	5.0
177.01913	2.6
189.00435	1.8
219.33478	1.6
265.11456	1.7
267.59293	1.5
305.14896	1.7
343.28568	4.4
467.47021	1.6
487.32785	61.6
488.32919	9.7
505.33969	12.8
547.34058	2.1
591.27917	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.3388
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	2.2
59.01380	100.0
60.01701	1.8
61.98819	3.0
68.05320	1.0
71.01385	17.9
71.61411	1.8
71.61802	1.8
73.02945	5.5
83.01391	3.9
85.02956	10.4
87.00870	1.1
88.52433	1.0
89.02452	4.0
95.01340	1.6
96.95985	2.2
97.02895	1.2
99.00881	3.0
101.02477	8.0
113.02456	12.3
119.03517	1.2
121.10236	2.7
125.02473	1.8
125.09783	1.2
127.00378	3.1
142.99510	1.1
143.03534	2.7
155.46953	1.1
161.04562	3.4
185.15497	1.7
185.32703	1.1
189.00420	4.4
218.40131	1.2
254.08461	1.1
291.30759	1.3
313.27325	1.5
343.28537	4.0
487.32751	56.4
488.33026	11.0
505.33759	14.5
506.34052	2.1
547.33997	1.3
591.27710	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1517
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60878	0.1
59.01364	0.5
63.02395	0.6
65.00314	0.9
70.68249	0.4
70.68585	0.3
83.01392	0.7
91.01904	0.4
93.03481	1.1
96.96017	0.3
100.17601	0.2
101.02413	0.2
107.01403	2.5
109.02979	0.7
117.03499	0.4
117.76685	0.2
119.01388	0.3
121.02962	0.2
125.02444	0.3
131.05042	0.2
131.65744	0.2
132.02220	0.6
135.00903	1.4
136.01601	0.2
137.02458	0.3
141.07176	0.2
143.05064	0.8
145.02986	0.2
145.06615	0.3
147.04515	0.2
151.00389	3.0
153.01929	0.7
154.04259	0.3
155.05020	0.4
157.06569	0.7
158.03735	0.3
159.04533	1.2
161.05997	0.2
163.00404	3.0
163.52751	0.2
164.01149	0.4
165.01935	0.4
167.05042	0.6
169.01466	0.2
169.06627	1.0
171.04456	1.0
173.06082	0.4
174.03223	0.3
175.04068	0.3
178.99883	0.5
183.04521	0.8
185.02501	0.3
185.06105	2.1
186.03299	0.2
187.04002	3.7
188.04390	0.2
189.05556	1.1
190.99908	0.2
195.04474	0.7
196.05324	0.4
197.06068	1.1
199.03993	1.2
200.04747	0.3
201.05562	0.5
209.00752	0.2
211.04018	2.8
212.04543	0.4
213.05589	2.2
214.02725	0.3
215.03458	0.4
217.05049	0.2
223.03932	0.4
227.03497	36.9
228.03845	3.3
229.05051	11.8
230.05373	1.1
239.03482	2.5
240.04184	1.2
241.05063	2.2
243.03069	0.2
255.02979	62.2
256.03494	8.6
257.04544	7.7
258.04852	0.7
259.06030	0.2
267.02859	0.8
268.03546	0.3
283.02463	0.6
283.05792	0.2
284.03256	67.9
285.04001	92.6
286.04382	9.1
299.05545	0.3
327.05078	1.2
361.41171	0.2
542.74530	0.2
593.15125	100.0
594.15436	18.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.157
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	6.4
61.98827	8.6
71.01404	9.4
71.59610	6.1
71.60034	5.3
75.00881	5.7
79.18008	4.9
83.01379	13.0
87.00889	13.6
93.42798	5.3
105.26709	5.4
109.02961	11.4
111.00882	17.7
115.00372	22.9
116.92873	6.3
125.34908	5.4
135.04546	11.4
139.00392	20.6
144.04549	13.4
149.02391	8.8
156.00662	11.0
157.01421	31.8
161.02460	9.8
162.40775	5.4
174.01604	10.6
175.02505	22.7
177.01924	8.5
193.05092	39.2
207.06561	22.5
213.48776	5.1
233.04570	10.9
234.05305	15.7
251.05550	6.7
275.05460	7.1
289.07071	11.3
307.08234	100.0
308.08646	12.0
451.12204	8.5
469.13470	46.9
470.14233	9.1
471.11389	12.3
513.12238	25.2
517.11884	5.7
559.97125	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	591.2296
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12262	1.2
55.01859	2.2
57.03436	5.9
58.00575	2.9
59.01377	75.2
60.99279	1.4
61.98841	6.9
69.03425	1.5
70.08514	4.5
70.08915	3.0
71.01383	61.4
72.93331	1.5
72.99320	3.2
73.02953	16.8
74.67970	1.2
79.05531	1.4
83.01379	7.9
83.04993	1.9
85.02966	21.3
86.00094	1.3
87.00883	16.5
88.98804	3.2
89.02454	54.0
95.01388	5.5
95.05052	1.6
96.96024	3.6
97.02988	1.8
97.06554	3.1
99.00875	5.3
101.02444	40.7
102.02749	1.9
107.01385	2.2
107.05023	5.8
113.02461	31.4
115.92001	1.8
116.92874	5.1
119.03513	20.1
121.03003	1.8
125.02456	1.8
127.00354	4.0
131.03511	14.6
135.04509	2.0
143.03558	6.8
149.04578	2.1
151.00340	4.5
159.03027	2.9
161.04572	27.2
161.09695	6.2
161.13367	2.0
163.11264	1.6
175.02530	2.4
178.99870	4.1
179.05618	53.5
180.06026	1.6
187.11292	12.8
188.11636	1.5
189.00357	4.6
189.09190	6.1
191.05632	2.4
203.10686	1.9
205.12344	5.5
207.10214	2.8
209.62509	1.5
221.06648	46.1
222.07135	1.4
223.13423	11.0
240.18753	1.5
249.11267	16.6
255.02934	2.6
263.07693	43.0
264.07831	2.3
267.12378	14.9
283.02444	4.5
285.03976	2.7
341.10663	1.9
343.21323	4.0
369.15601	1.9
397.09183	8.3
415.10284	1.8
416.07321	2.3
417.12640	1.6
429.17804	3.3
462.38046	1.4
471.18726	4.6
547.27570	10.3
548.27582	2.0
573.13086	2.8
573.21667	3.3
591.22858	100.0
592.23120	18.2
592.31519	1.8
601.64575	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	589.3232
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03751	4.6
59.01382	29.0
60.25140	4.7
61.98828	26.3
65.63874	3.9
71.57780	6.7
71.58134	5.1
85.02950	4.9
86.83661	4.1
89.02441	6.9
96.96071	6.0
99.00887	4.7
101.02463	10.2
113.02473	8.5
124.09765	3.8
155.18709	5.2
176.43718	4.9
189.00441	7.3
195.13861	6.8
235.17072	7.2
249.31659	4.9
253.09325	41.5
275.20065	18.0
293.21222	100.0
294.21609	12.1
380.42007	4.5
419.34839	5.0
527.17017	5.6
590.33405	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	589.3234
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	2.8
57.03441	1.5
59.01380	77.8
61.98846	7.7
62.07610	1.1
64.52325	1.3
71.01386	25.6
71.39565	2.3
72.99347	1.7
73.02973	7.4
83.01397	4.5
83.21260	1.2
85.02968	14.9
87.00898	2.0
89.02478	1.8
95.01412	2.7
96.95997	6.1
99.00887	3.0
99.92596	1.9
101.02453	16.3
113.02460	8.6
116.92855	2.0
161.04572	2.7
171.10300	1.8
185.15448	2.4
186.55038	1.2
193.05128	1.8
306.96719	1.2
334.90240	1.4
344.02859	1.9
407.01831	3.4
446.14346	1.2
459.33310	5.3
503.32242	2.4
545.33252	100.0
546.33459	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	589.3384
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.01710	1.1
61.61856	0.3
61.98832	0.7
62.72482	0.3
75.27538	0.3
77.02239	0.3
118.95257	0.3
277.21713	8.7
278.22147	1.0
351.08261	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.4274
Annotation	Unknow
Peak:m/z	Relative Intensity
56.06451	0.6
58.09367	0.6
59.01374	1.7
61.98832	4.5
62.03011	0.5
71.01383	0.7
71.15130	0.7
71.57427	0.6
71.57849	1.2
75.03384	0.7
78.95919	0.8
84.04546	2.9
95.12968	0.7
99.00919	0.6
99.96033	0.7
102.05620	100.0
103.05959	1.8
103.07663	0.7
106.76190	0.6
161.61978	0.6
268.22821	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.1569
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48498	0.2
57.03435	0.7
57.33938	0.2
59.01381	3.5
60.99316	1.3
61.58741	0.2
61.98829	1.3
64.41357	0.2
65.03941	0.2
65.63463	0.2
67.01892	4.6
69.03468	1.2
69.33617	1.8
71.01384	3.2
71.05051	0.2
73.02937	1.2
80.96503	0.2
81.03461	1.0
83.01408	0.4
83.05034	1.1
85.02962	7.2
87.00884	6.3
89.02426	0.3
93.03471	24.8
94.03826	0.8
95.05041	0.7
96.96040	0.6
97.11573	0.2
99.00895	0.9
99.04524	0.6
101.02453	0.9
105.03483	1.9
107.05038	0.5
108.02171	0.6
108.04537	0.2
109.02973	3.0
111.00912	0.4
111.04541	3.6
113.02456	0.9
121.03003	0.7
122.03808	0.2
122.06203	0.2
123.04528	0.5
124.01669	0.6
125.02471	0.6
127.00449	0.2
127.04025	2.2
129.01935	0.8
132.02203	1.3
133.02982	15.4
134.03828	1.3
135.04550	14.8
136.04893	0.7
137.02513	1.0
139.04034	0.3
143.03546	0.2
143.07181	0.3
147.00909	0.3
149.02469	1.2
150.03242	0.8
151.00319	0.2
151.04056	1.5
153.01967	0.3
155.03540	0.8
160.01683	5.5
160.22563	0.2
161.02455	2.2
164.04822	0.4
171.03004	0.7
171.10274	0.5
173.04581	12.6
174.04965	0.6
175.04048	0.2
177.01961	6.7
178.02675	1.3
179.03520	5.8
179.07069	0.5
180.03925	0.4
190.30637	0.2
191.05638	100.0
192.05984	3.9
207.03003	6.9
208.03767	3.2
209.04077	0.2
209.11810	0.5
215.05635	6.9
216.05968	0.3
222.05339	6.5
223.06120	6.8
224.06480	0.3
232.36581	0.2
237.07698	5.4
238.08011	0.6
253.09448	0.2
265.13483	0.2
267.11267	0.2
271.02515	0.2
285.12378	0.2
300.02771	0.3
301.03503	0.3
307.08273	1.0
308.08826	1.2
351.07214	9.4
352.07614	1.4
357.09933	0.5
365.08813	0.2
366.09439	1.2
367.10345	1.1
369.06088	0.4
383.07813	1.9
384.07999	0.3
397.09311	6.3
398.09592	0.8
415.10324	0.4
450.59052	0.2
482.17783	0.3
545.16522	1.8
557.13080	4.9
558.13470	1.0
571.25598	0.4
589.15601	3.6
589.26575	0.6
589.69348	0.3
590.16431	0.8
609.15302	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.1573
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28836	0.3
52.09898	0.2
59.01381	7.7
61.98830	100.0
69.71041	0.9
69.71466	1.0
70.01434	0.2
71.01384	3.2
73.02943	3.7
80.96530	1.5
83.01392	0.7
85.02962	1.2
86.14180	0.3
87.00892	0.3
89.02458	1.0
94.98119	0.3
95.01392	0.4
99.00929	0.3
101.02441	2.4
107.05070	1.4
113.02488	1.1
119.03452	0.3
143.03503	0.3
156.50275	0.3
175.07626	2.8
191.05701	0.3
197.09697	0.5
215.07404	0.5
215.10770	10.7
216.11115	0.8
219.06654	1.4
225.00731	0.5
233.11833	1.8
241.08652	0.6
257.60532	0.3
259.09744	14.6
260.10059	1.4
277.10779	3.0
421.15033	6.0
422.15143	0.9
439.16064	5.8
440.16324	0.9
481.17130	49.3
482.17468	5.8
587.27380	1.9
588.27649	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	586.31
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71738	0.7
58.02985	1.8
59.01374	3.0
61.98830	10.5
69.52046	3.9
69.52471	1.9
70.02982	0.7
70.69344	0.6
71.01388	1.5
73.02960	0.7
73.04060	5.4
74.02483	0.8
82.06631	1.4
83.01353	0.7
84.04552	3.7
85.02968	1.5
87.00945	0.7
87.05650	10.5
87.70770	0.6
88.04067	0.6
89.02434	0.7
89.29295	0.5
94.06673	0.7
96.00929	0.7
96.03355	0.6
96.96024	1.7
97.04070	2.0
98.02493	1.5
101.02434	0.8
102.05619	33.0
104.32249	0.7
110.02488	1.7
113.02476	0.6
115.05146	16.7
116.92873	1.0
117.30226	0.7
125.07215	0.7
126.06742	10.5
127.00427	1.0
127.05128	0.9
128.03554	85.8
129.03906	2.5
129.10370	4.0
130.08757	20.7
131.09100	0.7
134.03702	0.6
136.11325	0.7
140.07195	5.6
144.07816	9.3
146.04616	30.2
147.04863	0.8
149.02505	0.6
150.03232	0.8
151.08861	0.8
153.10393	1.1
154.12373	1.0
155.08243	1.0
155.11914	4.0
165.10429	0.8
168.07806	21.4
169.06171	1.1
169.13539	0.7
171.15027	4.9
178.02715	0.9
182.13007	1.9
183.11391	1.9
186.08855	14.4
193.05092	1.8
194.05431	0.9
197.12936	1.1
197.16483	0.7
199.18219	1.8
200.14110	1.0
207.14989	1.4
208.13467	1.2
212.14063	1.1
214.15674	1.3
215.13956	3.8
225.16039	2.8
226.16330	0.8
230.11475	1.0
238.15732	0.8
241.11963	1.7
242.18562	0.7
243.17072	1.8
252.20808	1.8
254.15121	0.7
259.12921	1.2
270.21881	4.1
281.16187	0.9
284.23477	1.2
295.21457	1.1
295.52094	0.7
300.15604	0.8
314.20929	2.6
327.24060	1.6
328.22372	2.1
339.23901	0.8
355.27264	0.9
389.25409	1.0
399.26212	4.3
400.26431	0.8
413.24042	23.3
413.29529	1.3
414.24356	3.3
417.02603	0.6
439.25552	1.5
443.25183	1.0
457.26639	12.9
458.26898	2.1
498.29276	1.4
542.28241	48.4
543.28491	8.4
568.29730	1.9
586.30927	100.0
587.31427	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	586.345
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03462	0.2
59.01383	1.6
61.98830	100.0
62.98538	0.3
63.99257	0.3
71.01394	0.6
71.05070	0.2
71.61690	0.2
73.02940	0.3
75.14201	0.2
78.95911	0.4
83.44829	0.1
85.02978	0.3
86.64501	0.1
88.98819	0.2
89.02489	0.3
91.02370	0.1
96.96030	0.4
99.00909	0.2
101.02493	0.4
116.92854	0.2
121.02966	0.2
126.90468	0.2
127.00376	0.2
128.90190	0.6
131.18015	0.2
136.07751	0.2
149.04579	0.1
161.04657	0.2
167.04686	0.2
171.00664	0.2
189.00473	0.3
191.05731	0.4
203.07158	0.3
214.12582	0.2
221.06390	0.2
221.08205	0.8
242.10715	0.2
257.13071	0.7
301.11838	0.9
306.07733	0.4
489.27374	0.4
545.23755	0.2
587.24786	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.344
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
69.92455	1.8
69.92866	4.1
72.73344	0.8
78.78336	0.8
80.96542	0.9
87.77721	0.8
98.19950	1.3
115.92028	0.8
116.92871	2.1
126.99585	1.1
174.97716	0.8
183.10077	0.8
184.81314	0.9
261.57010	0.8
355.56567	0.9
458.24686	1.0
459.04507	0.9
528.69366	1.0
548.11426	1.6
584.32800	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	585.2013
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	1.2
61.98819	1.2
67.67548	0.4
69.30364	2.3
69.30781	1.6
71.01386	2.3
72.99315	0.8
78.95898	3.4
89.99027	0.4
96.96036	3.6
96.96972	5.0
98.02474	0.7
98.95610	2.7
98.96400	0.4
98.97382	0.4
99.00893	6.0
99.92593	22.3
100.90462	0.7
100.92616	1.5
100.93380	3.5
111.00900	0.5
115.92090	100.0
116.92102	5.9
116.92863	37.5
117.92871	1.7
126.94976	0.6
127.00441	0.5
132.92395	0.9
141.72392	0.4
141.93655	1.1
142.94443	1.6
154.94350	0.4
155.95300	0.6
156.95975	1.4
168.95987	0.9
169.93051	0.5
170.93893	1.2
172.95482	0.8
184.95483	1.5
196.95512	1.1
212.95134	0.7
224.95035	0.8
226.96541	5.2
227.96866	0.4
238.50861	0.4
242.96071	2.1
244.97505	1.9
249.18617	3.1
278.98203	1.3
285.19388	0.4
298.98578	3.5
316.99713	1.2
335.00610	3.0
339.41266	0.4
363.08478	0.5
365.10623	3.8
406.13815	0.5
407.15146	2.4
408.15735	0.6
419.11945	1.0
476.14819	3.6
477.15399	0.8
549.17859	8.4
550.18372	1.8
567.19177	3.9
568.19562	0.6
585.20044	11.1
586.20496	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	585.3521
Annotation	Unknow
Peak:m/z	Relative Intensity
54.45301	0.2
59.01381	0.8
61.98830	100.0
62.98531	0.3
71.70520	0.3
78.95914	3.2
80.68501	0.2
84.22267	0.2
84.82932	0.2
99.92652	0.2
101.26399	0.2
115.92105	0.3
126.84852	0.2
134.29849	0.2
152.99605	1.8
196.89571	0.4
198.89417	0.3
241.01218	0.4
241.78429	0.2
254.93413	0.2
255.23341	0.7
256.23624	0.5
269.24881	0.7
277.21759	0.3
283.26465	1.3
284.26807	0.5
285.27087	0.4
484.27621	0.9
508.33987	1.5
509.34293	0.3
511.35114	0.5
585.20490	2.3
585.30615	0.7
586.21039	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.3293
Annotation	Unknow
Peak:m/z	Relative Intensity
55.57998	0.1
57.03461	0.1
59.01377	2.7
60.01707	0.1
61.47827	0.1
61.98831	100.0
62.98547	0.1
62.99269	0.2
63.99254	0.2
69.51454	1.0
71.01381	1.7
72.01714	0.2
72.99320	0.2
73.02959	0.5
78.91891	0.2
78.95925	0.1
83.01408	0.4
85.02980	0.5
86.32079	0.1
87.00903	0.2
89.02447	0.9
95.01390	0.1
96.96056	0.2
99.00912	0.3
101.02451	1.0
102.02779	0.1
113.02450	0.6
115.70064	0.1
116.92893	0.3
117.92867	0.2
119.03547	0.3
127.00401	0.3
149.59018	0.1
175.02495	0.1
179.05708	0.1
189.00497	0.5
199.85851	0.1
225.88217	0.1
263.03546	0.1
301.12006	0.2
332.43890	0.1
361.29755	0.3
362.30142	0.5
408.04324	0.1
484.99072	0.1
523.34894	1.0
524.35150	4.3
525.20007	0.4
525.35590	0.4
585.24603	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	584.3292
Annotation	Unknow
Peak:m/z	Relative Intensity
55.75322	0.1
58.29822	0.1
59.01375	0.8
61.98830	100.0
62.62181	0.1
62.98536	0.2
63.99254	0.1
69.45346	0.2
69.45749	0.7
70.44875	0.1
71.01397	0.4
73.02955	0.2
74.39546	0.1
78.95910	0.1
83.01416	0.1
85.02964	0.1
89.02448	0.2
94.11320	0.1
96.96048	0.1
98.19861	0.2
99.00906	0.1
101.02451	0.1
107.35745	0.1
113.02466	0.1
127.00462	0.2
150.03241	0.1
165.05510	0.1
189.00436	0.2
292.06195	0.1
362.29135	0.1
523.34406	0.1
524.34558	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.3292
Annotation	Unknow
Peak:m/z	Relative Intensity
55.78883	0.1
59.01376	0.9
61.98830	100.0
62.98539	0.3
65.53910	0.1
66.34576	0.1
71.01390	0.4
71.70052	0.1
73.02967	0.3
78.95916	0.1
83.01399	0.1
85.02976	0.1
87.00911	0.1
87.04550	0.1
88.98804	0.1
89.02477	0.2
90.43522	0.1
96.96036	0.3
98.23174	0.1
99.00900	0.2
101.02460	0.3
103.99964	0.1
106.04599	0.1
108.94974	0.1
113.02453	0.1
116.92884	0.1
126.90421	0.2
127.00406	0.2
145.70367	0.1
148.04077	0.1
148.59456	0.1
189.00464	0.2
191.05676	0.2
217.05199	0.1
363.08783	0.1
379.11896	0.5
466.16809	0.1
523.34314	0.1
524.34760	0.7
541.17303	0.2
585.25616	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	583.336
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58722	0.2
59.01377	3.1
61.98830	100.0
64.70575	0.2
67.27017	0.2
71.72507	0.4
78.95911	11.9
80.96348	0.6
86.64646	0.2
96.96995	0.7
99.92626	0.9
100.92604	0.3
115.92095	2.8
116.92101	0.9
116.92883	2.1
117.91943	1.0
117.92883	0.7
118.92699	0.9
125.18465	0.3
142.65778	0.3
150.98077	0.5
152.99600	3.3
171.00659	1.3
172.95616	0.3
174.95535	0.2
179.89235	2.5
180.90234	1.4
181.88875	0.3
181.90138	0.7
182.89883	1.0
196.89511	3.8
197.89545	1.7
198.89360	1.8
235.91740	0.4
236.92589	1.4
237.92644	1.1
238.92604	1.1
245.04297	0.5
281.24878	1.9
282.25287	1.1
283.25552	0.6
284.25879	0.3
312.96353	0.3
475.14639	0.8
482.25943	0.7
492.14792	0.5
506.32266	1.4
507.32822	0.3
508.33325	0.3
509.33344	0.6
535.16278	0.3
547.16785	0.6
565.17566	1.0
583.18854	11.0
584.18860	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2982
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26189	1.2
54.46190	1.4
56.95273	1.2
58.00605	2.2
59.01376	46.4
60.01719	1.3
61.98823	13.1
65.47375	1.2
68.56035	1.3
69.26118	15.5
71.01009	3.1
71.01385	38.2
72.99325	2.8
85.02966	6.3
87.00899	3.3
89.02454	44.0
90.32999	1.5
91.75886	1.4
95.01380	2.5
96.96023	4.7
101.02456	16.1
102.64101	1.5
113.02469	13.0
119.03516	17.4
127.00381	1.7
143.03574	3.1
154.18791	1.3
155.30804	1.4
161.04561	4.9
179.05630	18.2
181.08582	1.9
272.08762	1.5
339.92160	1.7
341.10898	100.0
342.11151	7.1
351.28815	1.6
583.27051	4.2
584.24634	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.3367
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42846	0.1
57.13121	0.1
59.01366	0.4
60.99302	0.5
61.98829	100.0
71.72494	0.2
78.95905	2.6
82.96090	0.2
87.00898	0.4
88.00391	0.8
88.98814	2.9
89.02457	0.4
91.47095	0.1
96.96960	0.2
109.59631	0.1
115.92108	0.3
116.92113	0.2
116.92898	0.4
117.91927	0.3
123.31111	0.1
125.39065	0.1
152.99585	1.1
153.00723	0.2
171.00725	0.1
179.89194	0.3
181.89189	0.2
182.89867	0.2
196.89546	0.5
197.89551	0.3
198.89517	0.3
236.92566	0.2
237.92821	0.2
238.92938	0.3
245.04355	0.2
255.23245	0.2
267.23389	0.1
281.24829	2.6
282.25168	1.5
283.25461	1.0
284.25595	0.3
397.57626	0.1
409.80325	0.1
495.63361	0.1
506.32358	1.0
507.33105	0.4
508.33414	0.2
509.33716	0.5
547.16919	0.2
583.18909	1.8
583.27673	0.2
583.35327	0.2
584.19214	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.3135
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	0.2
59.01380	3.3
60.01699	0.1
61.98831	100.0
62.98524	0.2
66.59356	0.1
69.51440	0.3
69.51840	1.2
71.01385	2.1
72.99297	0.1
73.02961	0.7
83.01411	0.5
85.02953	0.6
88.98841	0.2
89.02455	1.3
96.96044	0.5
99.00910	0.3
99.92602	0.2
101.02444	1.4
111.40304	0.1
113.02470	0.6
116.43061	0.1
116.92882	0.4
119.03557	0.3
121.02998	0.3
127.00452	0.2
161.04605	0.2
179.05728	0.2
189.00548	0.2
201.14864	0.1
216.46172	0.2
232.58167	0.1
359.27896	0.3
360.28479	0.5
361.29721	0.6
407.04205	0.2
521.33362	0.4
522.33679	3.4
523.34760	3.9
582.24738	0.2
583.36609	0.2
584.01489	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.378
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	21.0
60.01710	0.3
61.98829	0.5
62.96405	0.3
71.51838	0.3
71.52166	0.3
78.95907	30.4
92.86966	0.2
96.96006	0.4
96.96960	0.9
99.92590	1.5
115.92095	5.8
116.92866	3.2
122.98547	0.4
123.02466	0.2
134.98553	0.3
150.98004	1.0
152.99609	7.0
163.54761	0.2
163.89709	0.3
164.90631	0.3
168.04330	3.3
171.00604	0.4
172.95540	0.4
178.88483	0.5
179.89214	3.7
180.90018	3.5
181.90736	0.9
194.87900	0.4
196.89500	6.8
205.90765	0.4
206.91626	0.4
208.89612	0.4
224.06931	9.0
225.07162	0.3
235.91843	0.9
236.92628	1.7
242.07986	1.7
246.77042	0.3
253.92935	0.6
255.23291	1.1
283.26407	100.0
284.23541	0.5
284.26743	11.0
411.18384	0.3
475.15707	0.9
492.15903	0.7
508.34052	70.3
509.34418	11.4
535.17688	0.6
547.17670	0.9
582.29926	0.4
583.19818	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	582.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02983	6.6
61.98814	2.5
64.95253	5.5
66.03483	1.3
70.02977	3.3
71.05032	6.2
71.65638	1.6
72.00900	1.4
74.00707	7.2
74.02478	15.6
81.04588	1.8
82.03005	7.4
84.04536	1.3
85.04073	3.4
85.62372	1.1
86.02489	7.8
86.06135	1.5
87.05635	5.7
96.96021	1.5
97.04089	14.8
99.04538	2.4
99.05653	12.6
100.00422	14.6
102.00196	6.2
102.05629	2.3
105.99693	12.3
107.06160	2.5
108.09224	1.0
109.04069	2.8
111.05647	2.3
113.02578	1.0
113.03537	1.6
113.07188	1.7
114.00199	2.0
116.01762	2.1
125.03568	3.8
125.07250	2.1
127.05141	4.0
128.01761	6.5
128.03560	87.3
129.03871	2.6
130.03377	1.8
131.02834	2.2
135.05647	4.6
138.94547	1.0
139.05133	1.1
139.08791	1.1
141.03094	3.1
141.06706	2.0
143.04651	53.8
144.05025	1.5
145.06192	1.9
145.15694	1.2
146.04636	6.1
146.07153	2.1
146.08255	28.7
146.09407	1.5
147.06006	1.2
147.08597	1.0
151.05162	5.1
153.06697	9.0
154.69116	1.1
155.08263	1.2
160.00784	8.2
164.08324	1.2
166.09843	2.5
167.04590	2.1
167.08281	1.4
169.06209	16.9
175.00366	1.6
175.01855	21.4
176.00262	1.2
179.04655	17.5
181.06169	1.3
182.09372	2.8
185.03926	4.4
185.05632	2.2
189.00385	1.5
192.07848	1.1
194.51695	1.0
197.05659	7.5
203.04980	5.1
210.08855	11.8
217.11903	2.9
226.08386	2.9
245.37050	1.0
252.06091	1.6
254.07799	21.5
272.08871	82.0
273.09293	5.2
275.10672	9.7
277.12308	9.8
286.05103	7.9
288.06689	1.3
304.06097	93.6
305.06396	6.0
306.07602	3.2
309.09460	14.4
452.12723	1.5
453.14624	3.6
564.17944	10.6
565.18158	1.4
582.19104	100.0
583.19476	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	581.3548
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71955	0.2
55.01872	0.4
57.03449	0.6
58.00597	0.3
59.01379	10.4
60.01698	0.2
61.98831	100.0
68.51902	0.2
71.01386	5.9
71.07903	0.4
71.08247	0.3
72.01733	0.2
72.99315	0.6
73.02952	1.8
75.00873	1.0
83.01378	1.3
85.02959	2.6
87.00910	0.5
89.02457	3.8
93.03477	0.3
95.01411	0.4
96.96030	1.4
99.00895	1.0
101.02457	4.4
102.02804	0.2
108.24570	0.2
111.00908	0.4
113.02462	2.7
115.92091	0.5
116.92904	0.4
119.03500	1.7
121.02989	0.8
121.10268	0.3
127.00415	0.7
129.01929	0.2
135.04588	0.2
143.03523	0.3
159.03036	0.3
161.04630	0.8
162.27109	0.2
179.05653	0.6
185.28256	0.2
187.13519	0.3
189.00426	0.8
191.00905	0.5
191.05637	1.1
200.14200	0.3
201.15050	0.5
311.12848	0.2
359.27951	2.4
360.28458	0.4
371.15033	0.2
405.03000	0.2
495.19455	0.3
521.33252	21.8
522.33563	3.7
537.20154	0.2
563.21954	0.3
581.23773	0.2
581.34918	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.3549
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.0
57.03440	1.8
58.00602	2.3
59.01378	51.2
60.01702	0.7
61.98830	44.1
63.52374	0.5
71.01385	30.7
71.04946	1.2
72.01728	0.5
72.99308	2.3
73.02948	5.3
75.00884	0.9
77.25434	0.4
78.95921	0.7
83.01401	3.4
85.02962	9.6
87.00877	3.6
88.98815	1.3
89.02451	20.7
95.01402	2.9
96.96017	2.1
99.00882	2.1
101.02452	20.1
102.02758	0.6
111.00905	1.1
113.02467	11.1
119.03513	7.4
121.02969	0.6
121.10252	1.4
123.08197	0.8
127.00388	1.4
131.03484	0.7
143.03534	1.4
157.12354	1.4
159.03046	1.2
159.36142	0.4
161.04576	4.3
171.13904	0.7
173.01009	0.6
179.05617	5.5
180.82912	0.6
187.13469	1.2
189.00385	1.2
191.00917	0.7
191.05597	1.2
201.14973	1.4
222.91142	0.5
338.51245	0.5
341.27023	0.5
359.28030	17.9
360.28403	2.2
393.43741	0.5
455.09717	0.5
521.33282	100.0
522.33594	14.6
522.41101	1.0
539.52148	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.1691
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.4
60.85324	0.9
61.98830	1.0
70.16000	4.7
71.01382	1.6
73.02930	1.0
78.95901	1.0
85.02949	2.8
89.02393	1.1
92.36786	0.9
95.01373	1.8
99.65104	0.8
108.02183	55.5
109.03001	16.3
110.02415	0.9
113.02459	1.1
123.00910	1.2
134.03796	1.5
134.04749	3.5
135.04538	14.8
136.04926	0.9
137.00481	0.9
151.04002	1.6
152.01161	47.6
153.01965	20.7
154.02217	1.2
163.04071	1.5
165.01860	1.3
297.09741	1.7
315.07202	100.0
316.07565	8.4
455.44641	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.3212
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53065	0.1
58.88178	0.1
59.01371	0.3
60.01703	0.1
61.98829	100.0
62.98541	0.1
69.43660	0.4
69.44095	0.3
78.95903	0.4
133.72609	0.1
134.61459	0.1
136.33424	0.1
143.55725	0.1
152.99580	0.5
153.11287	0.1
203.79112	0.1
279.23291	2.3
280.23605	1.4
281.23932	0.9
282.24146	0.6
504.30939	1.0
505.31503	0.3
506.31674	0.3
507.31808	0.7
581.33710	0.3
582.33008	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	581.3211
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68757	0.1
59.01368	0.4
59.26531	0.1
61.98830	100.0
62.98539	0.1
69.46292	0.4
69.46724	0.2
75.65363	0.1
78.95910	0.9
78.96326	0.1
82.96078	0.1
98.19852	0.1
125.66846	0.1
152.99547	0.4
168.04349	0.1
193.45059	0.1
224.06943	0.2
242.07947	0.1
271.22763	0.1
279.23282	1.6
280.23575	0.8
281.23972	0.4
282.24234	0.3
433.23837	0.1
499.26984	0.2
504.30927	1.3
505.30994	0.3
506.31546	0.2
507.31808	0.9
581.27228	0.2
581.32721	0.2
582.32770	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	581.1827
Annotation	Crinemodin-rhodoptilometrin bianthrone
Peak:m/z	Relative Intensity
52.04813	0.5
58.79842	0.5
59.01369	1.4
59.14960	0.5
61.98827	1.0
62.96419	1.0
63.56083	0.5
70.19060	1.6
70.19473	1.0
71.01378	1.5
78.95908	100.0
80.96504	0.9
96.96027	0.9
96.96977	5.4
97.02966	0.8
98.95535	0.7
99.92588	11.8
99.93195	1.0
100.92671	0.8
100.93353	2.2
110.04958	0.5
115.92097	37.3
116.92117	2.7
116.92871	30.7
117.92880	2.2
120.97057	0.8
134.98486	0.8
142.94406	0.7
150.98019	3.8
152.99608	26.4
155.95221	1.4
156.95966	0.7
163.89749	0.8
164.90485	1.8
171.00661	12.6
172.95464	5.9
177.91318	0.5
178.88464	7.0
179.89233	40.2
180.90048	28.6
181.91000	2.8
194.88025	2.7
194.89471	0.6
195.00543	0.8
196.89497	51.5
197.89507	3.3
204.90094	1.1
205.90741	6.0
206.91486	3.1
207.91685	0.6
208.89406	1.7
218.91553	1.5
219.92247	1.5
220.93018	0.5
221.90161	2.9
225.22127	0.7
234.91109	1.3
235.91837	10.3
236.92615	27.4
237.38841	0.5
237.92793	2.7
245.04308	1.5
250.18596	0.5
252.92073	3.8
253.21657	0.7
253.92819	1.5
270.93216	2.9
276.95697	2.8
278.93759	3.7
281.24838	4.3
282.25150	1.4
291.94434	0.6
292.95264	2.6
294.62488	0.5
308.94852	1.0
309.95535	1.4
310.96280	6.8
311.96567	0.7
326.95804	1.0
353.14499	0.8
356.31229	0.5
407.21826	0.7
458.25400	0.5
471.11484	0.5
473.14117	4.1
474.14313	0.8
481.25864	1.6
490.14365	4.8
491.14453	0.6
506.32388	1.3
507.32864	1.4
509.95688	0.5
527.60309	0.5
533.15936	3.7
545.16077	4.2
546.16180	1.2
563.17133	7.5
564.17426	1.9
581.18286	85.2
582.18591	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	580.3622
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10634	0.3
59.01376	20.0
59.81828	0.3
61.98825	2.8
62.96422	0.3
63.21252	0.3
70.79887	1.1
78.95907	47.0
96.96014	1.5
96.96954	1.6
99.92580	3.5
100.93368	0.6
115.92096	11.3
116.92863	8.8
122.98542	0.5
134.98547	0.4
141.49399	0.3
142.94490	0.4
150.98013	1.4
152.99596	10.1
155.95155	0.4
163.89752	0.4
164.90517	1.0
168.04314	3.3
171.00648	3.8
172.95499	1.9
175.81973	0.4
178.88469	1.3
179.89227	11.1
180.89995	9.4
181.90799	1.0
187.21426	0.3
194.87999	0.5
194.89978	0.5
196.89485	17.3
204.90198	0.4
205.90775	1.7
206.91563	1.0
221.90152	0.8
224.06908	7.8
234.91100	0.6
235.91809	3.7
236.92606	8.6
242.08032	2.1
252.92128	1.4
253.92790	0.4
270.93100	0.6
276.95737	0.7
278.93726	1.3
281.24835	100.0
282.25195	10.4
292.95193	1.0
310.96393	2.1
343.58890	0.3
472.85330	0.3
473.13843	1.9
490.14050	1.5
506.32468	69.2
507.32840	10.3
521.28943	0.4
533.16095	1.2
545.16180	1.4
563.17285	2.8
581.18262	32.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.3624
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	14.8
60.01726	0.2
61.98834	3.8
63.99242	0.4
69.63828	1.5
71.01387	0.8
71.96725	0.2
73.02920	0.2
73.77074	0.2
78.95907	11.9
78.98589	0.9
79.95737	0.9
80.77802	0.2
80.96523	8.2
82.96110	0.6
85.02959	0.4
87.00876	0.3
94.98094	1.3
96.28728	0.2
96.96005	0.5
96.96967	0.6
96.97621	0.3
98.19969	0.3
99.92607	0.7
106.98096	0.4
110.44254	0.2
115.92081	2.4
116.92871	2.2
120.96964	0.2
122.97603	0.4
134.97562	0.6
148.99159	0.6
150.98024	0.4
152.98576	0.4
152.99619	3.0
163.89749	0.2
164.90483	0.2
164.98633	1.3
168.04326	1.6
171.00671	1.0
172.95488	0.3
178.88492	0.5
179.89250	3.1
180.90027	2.4
181.90721	0.3
182.99808	0.3
196.89517	3.8
205.90771	0.4
206.91579	0.3
206.99719	0.2
224.06912	1.0
225.00735	1.6
226.00861	0.4
227.00394	0.2
234.91071	0.2
235.91806	1.0
236.92593	2.2
242.07977	2.3
243.01735	0.2
252.92079	0.2
260.29510	0.2
263.16150	0.2
266.90164	0.2
276.95831	0.2
278.93726	0.3
279.23242	0.2
280.23633	0.2
281.24841	100.0
282.25198	10.7
282.28448	0.3
292.95074	0.2
299.04535	0.2
310.96329	0.6
473.13940	0.6
490.14529	0.4
506.32492	35.8
507.32846	6.8
533.16473	0.3
545.16064	0.4
563.17145	0.4
580.28772	13.9
581.18250	7.9
581.28516	3.2
591.15088	0.2
608.34869	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	579.4635
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07725	0.4
52.10321	0.4
59.01382	0.4
59.97918	0.4
61.98817	1.7
71.46733	0.4
71.61652	0.7
72.98415	0.4
78.94176	0.4
78.95949	0.5
86.27350	0.4
100.72787	0.4
111.92088	0.4
114.68576	0.4
117.71584	0.5
127.55793	0.4
134.29071	0.4
146.96606	0.4
150.42343	0.3
152.99605	0.7
225.18600	100.0
226.18953	7.4
399.04260	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.1827
Annotation	Unknow
Peak:m/z	Relative Intensity
57.11493	0.2
61.98831	100.0
62.98523	0.2
69.56049	0.2
71.66560	0.4
78.95906	2.3
78.96259	0.2
80.96355	0.3
96.96991	0.8
116.54277	0.2
128.65717	0.2
130.14679	0.2
134.04787	0.2
158.38199	0.2
239.33725	0.2
331.63818	0.2
346.05859	0.6
347.05911	0.7
348.06107	0.6
360.05618	0.2
459.53992	0.2
462.35382	0.2
517.18835	0.2
580.24829	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.1827
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80190	0.2
55.03047	0.2
55.52459	0.2
61.98832	100.0
62.98525	0.3
71.72172	0.2
71.72644	0.2
127.00453	0.2
189.00534	0.2
227.69258	0.2
227.82748	0.2
230.45311	0.2
404.18555	0.3
465.75732	0.2
486.91980	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.3392
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68976	1.8
53.48059	1.4
55.01872	4.2
56.92127	1.3
57.03449	11.5
58.00592	2.9
59.01379	65.2
60.01693	2.1
61.98831	69.3
69.37780	13.3
71.01383	42.7
71.01778	2.2
72.99303	4.6
73.02952	54.7
75.00864	3.8
78.95890	2.3
79.03741	1.4
83.01393	36.4
83.05035	3.4
85.02955	18.9
86.04791	1.5
87.00877	24.2
88.98787	2.0
89.02453	19.6
93.03448	2.5
95.01396	3.2
95.42128	1.3
96.96025	6.6
97.02882	1.3
97.06616	2.3
98.20671	3.1
99.00276	3.0
99.00893	35.8
99.92580	1.9
100.14082	1.3
101.02458	27.3
111.00871	2.4
113.02452	15.7
116.55397	1.4
116.92878	7.8
119.03523	5.2
121.10275	4.2
123.04553	3.4
125.09761	1.8
127.00393	69.9
127.11294	2.9
129.01964	2.0
135.04561	1.5
142.99838	4.8
145.01456	2.5
159.03024	3.5
161.04552	4.7
167.72354	1.4
171.13875	4.0
179.05609	2.6
189.00420	95.6
190.00787	4.3
190.31059	1.4
191.05736	1.9
200.14226	3.4
201.14961	3.3
207.01390	2.7
215.16782	1.6
227.10768	2.2
229.17918	3.1
321.24133	2.2
339.25266	2.4
357.26443	29.9
358.26770	2.1
434.99661	1.6
519.31732	100.0
520.31964	17.4
579.33673	23.9
580.34631	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	579.3391
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	2.9
57.03448	10.9
59.01379	50.5
60.01693	1.0
61.98830	27.1
69.37762	6.2
71.01385	25.9
72.01705	0.9
72.99307	1.7
73.02950	50.4
75.00864	4.1
83.01395	30.1
84.01724	0.8
85.02958	8.1
87.00876	5.8
88.96586	0.8
88.98830	0.7
89.02454	8.1
95.01392	1.8
96.96028	3.7
97.45525	0.7
99.00889	29.9
99.04528	4.2
101.02457	18.6
102.02790	0.7
103.00420	0.9
105.07114	0.9
107.04994	1.2
111.00863	1.9
113.02460	9.6
115.92101	0.9
116.92871	1.5
116.97118	0.7
117.01939	1.3
119.03510	3.4
120.99684	1.7
123.08186	1.6
125.02445	2.3
125.09750	0.7
127.00388	66.5
128.00711	2.5
129.01958	1.0
131.03427	0.8
133.01367	1.0
137.02448	1.5
142.99895	4.8
143.03578	1.1
145.01480	1.2
155.10805	1.3
159.02989	1.8
161.04610	3.6
170.99361	1.3
171.13889	1.0
189.00420	100.0
190.00726	3.4
191.05608	1.7
207.01453	13.4
208.03903	0.7
255.06656	1.2
327.16339	0.9
345.17383	1.1
357.26547	8.5
358.26923	1.1
361.18713	2.0
414.22253	1.1
459.29559	2.1
475.28879	1.1
493.17645	1.4
496.26019	0.8
496.43152	0.8
501.30771	2.0
516.25537	3.2
519.31702	56.2
520.32037	10.5
535.18494	3.1
564.80280	0.9
579.17804	2.5
579.34045	30.4
580.34802	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	579.3056
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23450	0.1
59.01369	0.3
61.98829	100.0
62.98540	0.2
70.23327	0.4
78.95918	0.6
92.56811	0.1
114.97358	0.1
143.26588	0.1
152.99599	0.3
189.00481	0.1
198.03798	0.1
212.35664	0.1
224.06947	0.2
277.21716	1.2
278.22034	0.5
279.22546	0.3
280.22784	0.2
393.15665	0.1
431.21893	0.1
468.69730	0.1
502.29471	1.2
503.29810	0.3
504.30222	0.1
505.30191	0.7
541.49261	0.1
579.30768	0.4
583.49249	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	579.3055
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60587	0.1
53.94591	0.1
56.14696	0.1
56.64495	0.1
58.34039	0.1
59.01374	0.2
61.07443	0.1
61.98829	100.0
62.98543	0.2
71.01410	0.1
71.72621	0.1
75.00869	0.1
78.95918	0.4
96.14757	0.1
108.65294	0.0
125.93304	0.1
131.09763	0.1
152.99594	0.4
178.99899	0.1
219.06590	0.1
242.08087	0.1
275.21048	0.1
277.21719	1.9
278.22067	0.8
278.24875	0.1
279.22287	0.3
280.22742	0.2
363.09821	0.1
431.22324	0.1
502.29370	1.0
503.30078	0.2
504.30295	0.1
505.30215	0.4
579.30591	0.3
580.30780	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	579.2844
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	4.6
61.98798	0.4
63.96231	1.1
65.99551	0.4
68.41449	0.4
69.03460	0.8
70.92852	1.0
71.01382	11.3
72.99265	0.7
73.02950	2.2
78.95909	4.1
78.98597	5.3
79.95737	8.7
80.96522	61.8
81.03476	0.4
83.01391	1.0
85.02950	3.7
87.00886	7.4
88.01241	0.4
89.02452	3.0
94.98094	15.4
95.01362	0.7
96.96019	11.8
96.96941	0.5
97.02940	1.7
99.00890	1.1
99.04556	0.3
101.02457	4.4
102.67946	0.3
103.60575	0.4
106.98107	2.9
113.02460	2.9
113.92638	0.6
114.93430	0.7
115.04024	0.5
119.03511	1.3
122.97610	2.2
125.02461	3.5
127.04034	0.5
134.97615	3.9
136.99144	1.3
143.03510	0.9
148.99159	5.9
152.98582	4.1
152.99634	1.5
161.04553	1.5
164.98637	10.6
165.99069	0.5
177.89795	0.9
178.90590	0.8
179.05606	1.1
187.94308	0.3
188.98691	0.4
194.90079	1.4
206.99698	2.3
225.00743	16.1
226.01094	0.4
245.04301	1.6
253.21591	1.3
255.23273	10.1
256.23633	0.8
269.24829	5.0
279.23242	2.4
281.24850	4.4
297.24310	1.2
299.04318	2.9
323.09897	2.5
341.10907	5.2
343.01151	0.5
403.89200	0.4
481.25952	2.4
506.32391	3.3
579.20306	3.4
579.28412	100.0
580.28735	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	579.2847
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58030	0.3
50.58297	0.4
51.06412	0.3
59.01377	7.9
60.04786	0.3
61.98827	11.1
63.96241	1.1
71.01381	6.4
73.02943	1.5
78.95901	4.1
78.98589	4.8
79.95738	9.2
80.96520	58.2
81.03449	0.4
83.01363	0.4
85.02963	2.0
87.00871	1.8
94.98096	14.7
96.96020	4.5
97.02961	1.6
98.19818	0.6
101.02441	2.7
106.98074	2.6
113.92619	0.4
114.93405	0.4
115.22729	0.4
122.97599	4.5
125.02461	3.2
125.15045	0.3
125.56062	0.4
127.03995	0.6
134.97597	4.2
136.99138	1.5
148.99146	5.0
152.98634	5.8
152.99641	1.1
164.98640	10.6
168.04309	0.7
177.89700	0.4
182.99751	1.8
194.90076	0.8
206.99715	2.6
224.06755	0.5
225.00734	17.0
230.14639	0.4
242.08018	1.0
243.01704	1.7
279.23300	3.3
280.23773	0.4
281.24838	54.3
290.96292	0.3
299.04376	2.5
317.05545	0.4
329.47696	0.4
377.40280	0.4
414.76749	0.4
481.25592	0.9
506.32465	22.7
579.28430	100.0
580.28790	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	579.2099
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.01720	0.9
69.93831	1.6
71.01366	0.4
73.02936	0.8
75.42656	0.3
78.16271	0.3
83.01389	0.4
84.54522	0.4
96.96046	0.4
114.93419	0.9
116.92865	0.4
121.02979	0.7
126.90469	5.0
127.00404	1.4
128.03572	0.8
145.03008	0.4
157.69705	0.4
161.04602	0.4
163.03889	0.4
175.04024	2.0
189.00441	1.6
190.06319	1.3
197.06212	0.4
221.06528	0.4
222.05287	0.7
227.03464	0.9
227.35640	0.3
235.07570	0.6
241.04855	0.4
251.07050	0.4
253.04941	0.4
253.08595	0.6
253.19086	0.3
255.02951	3.0
256.03287	1.1
257.03625	0.9
263.07062	1.6
267.06659	0.7
268.07458	0.4
269.08301	2.1
279.06668	1.3
280.07101	0.4
281.08237	3.2
282.08731	0.7
283.02493	1.8
283.09613	0.7
284.03113	3.0
285.03992	6.0
286.04358	3.1
287.04630	2.8
291.06573	0.7
292.07455	0.4
293.08249	0.9
294.09024	2.0
296.07071	0.4
296.10410	0.8
297.04813	0.3
297.07718	9.0
297.11029	0.8
298.07925	1.0
307.09778	0.6
308.10468	1.0
309.07663	12.2
309.11273	4.7
310.08026	1.3
310.11487	0.5
312.10022	8.8
313.10306	1.0
323.09241	3.0
324.10046	9.0
325.10199	1.3
327.12369	43.6
328.12686	5.1
339.12372	42.1
340.12747	5.5
357.13522	0.8
431.09656	1.1
432.09879	2.2
433.10336	2.5
439.92673	0.3
519.23669	0.4
579.15826	5.2
580.14740	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.245
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80400	1.4
52.34565	1.1
55.01886	1.6
59.01104	2.1
59.01379	26.1
60.55198	1.1
61.98843	10.2
71.01385	14.7
71.61368	1.4
73.02943	20.6
74.35051	1.2
78.95919	8.9
83.01411	6.5
85.83953	1.6
89.02459	2.1
101.02448	17.1
113.02448	4.4
123.17834	1.3
127.00401	1.4
143.03523	1.8
149.04594	2.4
161.04562	5.2
168.76059	1.2
189.00415	2.8
191.05666	1.9
192.49446	1.6
221.06595	1.7
242.64101	1.3
254.56926	1.3
269.19070	4.9
280.27371	1.4
287.20157	7.7
299.56396	1.3
313.18088	16.9
314.18622	1.9
315.95117	1.2
331.19125	100.0
332.19400	12.7
344.81946	1.4
345.20609	2.3
373.20111	8.9
535.25427	56.7
536.25726	10.9
579.31244	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	579.2085
Annotation	Unknow
Peak:m/z	Relative Intensity
55.19297	0.5
56.07304	0.6
57.03443	1.1
59.01377	100.0
59.08335	0.4
60.01717	0.8
60.49649	0.5
61.98836	3.5
71.01375	3.1
71.61169	0.8
72.99315	0.5
73.02951	5.0
78.48806	0.5
83.01395	3.2
85.02965	1.2
87.00896	0.6
89.02455	1.0
96.96021	1.6
99.00896	2.8
101.02461	2.0
103.00407	0.5
113.02480	1.6
115.53523	0.5
116.92870	1.1
121.02984	1.3
127.00367	5.7
129.02919	0.5
131.30182	0.5
134.03807	1.0
135.04564	0.6
142.74202	0.5
161.04572	0.9
163.04068	0.9
175.04005	2.9
179.05621	0.7
179.07098	0.6
189.00421	9.1
190.06514	0.6
191.05653	1.6
193.05186	0.9
207.98428	0.9
222.05383	1.4
251.07256	0.8
252.69203	0.5
253.08923	0.7
255.03203	0.6
261.05630	0.8
262.06348	0.6
263.07193	1.3
269.08295	2.1
278.09644	0.5
279.06784	1.6
281.08234	2.3
291.06723	1.5
292.07227	0.8
293.08292	0.9
294.09100	1.9
295.09760	0.6
297.07681	9.2
297.11118	1.0
298.08157	0.9
308.10541	1.2
309.07761	11.1
309.11359	2.8
310.08334	1.1
311.09167	0.6
312.09958	8.1
313.10486	1.4
323.09171	3.1
324.09998	9.3
325.10263	1.3
327.12357	43.3
328.12860	5.1
339.12375	41.1
340.12650	5.7
357.13580	1.4
519.31927	1.5
579.15369	1.5
579.34308	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1727
Annotation	5,7,4'-Trihydroxyflavanone 4'-O-rutinoside
Peak:m/z	Relative Intensity
55.01873	0.9
56.21887	0.4
57.03447	2.1
59.01378	22.8
60.01706	0.6
61.98830	31.6
63.02399	2.2
65.00325	13.1
65.00675	0.7
68.99814	0.6
71.01385	9.0
71.05025	0.5
71.72023	0.6
72.99329	0.4
73.02947	8.0
74.06313	0.4
75.00866	0.6
81.03468	0.5
82.20811	0.4
83.01391	12.5
85.02964	3.2
85.50696	0.4
87.00882	1.8
87.04523	1.2
88.98823	0.4
89.02439	4.0
92.29693	0.5
93.03467	5.6
95.01405	0.8
95.57368	0.4
96.96021	1.0
97.06608	0.5
99.00883	4.0
99.92515	0.4
101.02451	5.7
103.92025	0.4
104.23926	0.4
104.34457	0.5
107.01403	24.6
107.05012	0.4
108.02232	0.8
109.02997	0.5
110.51061	0.4
113.02455	5.2
115.00341	0.6
115.91557	0.4
116.92888	0.6
117.03496	0.6
119.03572	1.7
119.05040	43.8
120.05348	2.0
120.99580	0.4
121.02966	0.9
123.00864	0.5
123.04395	0.5
123.08183	0.7
124.01674	0.5
125.02457	5.5
127.00387	9.7
128.00789	0.5
128.03551	0.5
135.04567	0.9
136.01663	0.8
137.02489	1.0
137.09703	0.9
142.99910	0.5
143.03499	0.7
143.05046	1.2
145.02980	4.6
146.47989	0.4
147.16483	0.4
149.02470	0.5
151.00383	100.0
152.00720	4.5
153.09256	0.9
161.04559	1.9
161.06097	1.4
164.01212	1.3
165.01945	3.4
166.02769	2.6
167.69533	0.4
169.01480	3.8
173.11810	0.8
175.00407	1.8
177.01949	8.1
179.05641	0.7
181.05095	3.2
185.06114	1.9
187.04036	3.3
187.13521	0.7
189.00414	13.4
191.03694	0.5
191.05560	0.9
193.01440	2.4
196.00241	0.9
199.07597	0.5
205.01463	0.8
217.01251	0.4
217.14436	6.5
227.07109	3.2
229.05110	0.7
231.16014	2.1
235.02437	1.9
253.09250	0.5
257.08218	0.7
269.04547	0.7
270.05234	0.7
271.06100	65.1
272.06390	5.7
295.06311	0.7
313.07043	2.7
325.10684	0.5
326.10986	0.7
327.11612	1.0
331.17838	0.5
337.10889	1.0
338.11020	1.1
339.07199	2.0
339.11441	2.1
343.21252	1.8
357.26346	1.3
366.63562	0.4
373.09186	0.9
375.27682	1.1
387.10846	0.6
415.10251	0.5
417.15726	4.9
418.15918	0.7
459.11517	18.5
460.11694	2.2
501.30557	0.9
519.31702	13.3
520.32196	1.2
537.32776	3.5
579.17194	99.7
580.17548	20.3
580.26886	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2096
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62451	0.4
55.01872	1.0
57.03433	2.7
59.01381	24.9
61.98825	4.6
62.07338	0.5
62.74650	0.4
63.02395	1.4
65.00325	5.6
68.99841	0.6
69.03480	0.6
71.01386	14.5
71.61139	0.5
71.61494	0.7
72.79205	0.5
72.99303	0.8
73.02950	12.0
73.96656	0.4
74.03265	0.7
75.00852	0.7
76.45390	0.4
78.95915	1.2
83.01389	9.0
84.02192	0.6
85.02966	5.5
87.00900	2.2
87.04516	0.6
89.02453	6.4
93.03468	3.0
95.01409	1.6
96.96011	1.3
97.02938	0.6
97.06619	0.8
98.95574	0.5
99.00885	6.4
101.02451	8.0
105.85895	0.5
107.01408	9.7
109.02963	1.9
111.00883	0.9
113.02476	6.4
115.00358	0.5
115.07605	0.6
116.92874	0.6
117.03429	0.8
119.03543	2.0
119.05041	17.8
120.05350	1.4
121.02936	1.5
123.00880	1.8
123.04543	0.6
125.02471	3.9
126.99508	0.9
127.00393	13.4
128.00783	0.5
133.02959	0.6
134.03731	0.5
135.04492	1.0
136.01682	0.8
137.02466	9.8
137.09720	1.5
139.00381	0.5
139.04079	0.6
142.99901	1.0
143.03535	0.9
145.02962	2.6
149.02441	1.3
150.03255	0.7
151.00385	58.2
151.04019	2.1
152.00697	3.0
152.04811	2.7
159.02994	0.6
161.04596	2.9
161.05768	0.6
162.03108	0.6
163.04001	1.2
165.01961	2.1
166.02731	55.0
167.03442	3.1
169.01457	1.0
175.00342	0.7
175.04018	1.3
176.01201	0.6
177.01942	6.4
177.05559	1.8
178.02724	0.8
179.03523	0.7
179.05595	1.4
180.04243	0.5
181.05077	74.7
182.05400	4.4
184.03783	0.9
185.06071	0.9
187.04001	1.6
187.13342	0.6
188.35445	0.6
189.00429	17.4
190.00774	1.5
190.06403	1.5
191.00821	0.7
191.03528	0.9
191.05502	0.6
192.04190	1.1
193.01459	1.2
193.05038	1.3
201.15080	0.6
205.05020	1.0
205.08713	1.5
207.03096	0.7
207.06665	1.2
217.14406	0.9
227.07175	1.7
231.15994	2.2
235.02512	1.0
268.03702	0.6
269.04465	7.0
270.04813	6.6
271.06110	25.3
272.06415	2.5
306.07663	0.6
313.06976	0.8
339.12030	0.5
341.10025	0.5
343.21381	0.9
357.26425	1.8
359.11301	2.2
368.24390	0.5
375.27646	1.7
387.05753	0.7
387.10834	13.3
387.36105	0.5
388.11215	1.9
391.19916	0.6
402.13165	7.5
403.13422	1.0
417.15552	100.0
418.15891	15.8
459.11539	7.2
460.11404	0.9
519.31647	22.6
520.32111	3.3
537.25397	0.7
537.32776	5.3
543.24536	1.9
579.17090	44.9
579.33636	2.4
580.17371	9.6
581.82361	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.3467
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	17.0
60.01703	0.2
63.04004	0.2
69.40000	1.5
71.01375	0.6
71.49082	0.1
73.02924	0.3
73.52206	0.1
78.95911	5.6
78.98595	0.4
79.95735	0.7
80.96524	4.6
82.96108	0.2
83.49078	0.1
85.02974	0.3
87.00876	0.2
94.98112	1.0
96.96950	0.2
97.02992	0.2
97.38152	0.2
101.02425	0.2
106.98085	0.2
108.24556	0.2
122.97605	0.2
125.02508	0.2
125.03378	0.1
134.97588	0.3
148.99185	0.2
152.98575	0.3
152.99603	1.3
164.98698	0.7
168.04312	1.5
181.66237	0.2
206.99741	0.2
224.06882	0.9
225.00700	1.0
226.01074	0.4
242.08011	2.2
261.22174	0.5
269.10352	0.2
279.23285	100.0
280.23636	11.0
280.28168	0.2
299.04346	0.2
504.30927	33.0
505.31268	6.3
519.26984	0.2
578.27222	6.6
579.27136	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	578.3467
Annotation	Unknow
Peak:m/z	Relative Intensity
55.60632	0.2
56.81889	0.2
59.01379	23.6
61.86554	0.2
64.54161	0.2
70.74406	0.5
70.74807	0.6
71.01398	0.4
76.42646	0.2
78.95908	19.9
79.95741	0.5
80.96525	2.5
83.93262	0.3
91.79768	0.3
94.98084	0.7
100.61141	0.3
108.84658	0.3
122.98556	0.5
135.21867	0.3
147.34853	0.2
152.99625	3.5
160.21533	0.2
164.98712	0.4
168.04356	3.2
189.98859	0.3
213.29225	0.2
224.06911	9.5
225.00751	0.3
242.07922	2.2
254.78268	0.3
261.22247	0.5
279.23276	100.0
280.23627	9.9
280.26700	0.5
404.83542	0.3
504.30936	75.2
505.31244	12.6
505.38788	0.4
578.27179	3.7
579.27014	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.3183
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	0.3
61.62377	0.3
61.98832	100.0
62.98519	0.3
65.88955	0.2
69.44546	2.6
70.64812	0.3
78.95910	3.4
83.83703	0.2
89.02460	0.3
96.96025	8.6
98.19817	0.5
113.92661	1.1
114.93431	0.9
125.73650	0.2
145.03027	0.2
152.99605	1.8
156.04103	0.3
171.00681	0.4
177.89815	0.8
178.90631	0.8
194.90024	1.5
233.92430	0.3
234.93213	0.6
245.04225	1.3
253.21805	0.8
255.23326	0.5
279.23300	0.8
280.23743	0.8
281.24234	0.4
315.63803	0.3
341.11310	0.3
343.01376	0.3
481.25876	2.2
525.82806	0.2
561.17926	0.3
579.19012	3.0
579.27679	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.2389
Annotation	Unknow
Peak:m/z	Relative Intensity
56.60534	0.4
61.98835	3.4
71.69735	0.7
73.02955	0.4
78.95909	100.0
79.06789	0.4
96.96971	25.3
118.43098	0.5
124.94745	0.4
127.00406	0.8
134.04739	13.6
138.98016	0.8
150.98029	3.5
175.04030	0.8
189.00505	0.8
191.05670	0.9
192.99081	1.1
193.04909	0.6
211.00237	2.4
328.04504	1.8
346.05594	64.4
347.05917	3.6
578.24023	6.8
578.32611	0.9
579.24188	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	577.2871
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	0.5
59.01383	4.2
60.99307	12.3
61.98817	1.4
63.96246	1.1
69.03474	1.0
69.50418	2.5
69.50831	1.2
71.01381	7.8
72.99308	0.7
73.02953	2.4
78.95911	2.1
78.98602	6.5
79.95737	10.3
80.96523	68.1
81.03462	0.8
83.01408	0.7
85.02964	2.2
87.00884	3.6
88.00423	4.4
88.00964	0.5
88.01183	0.6
88.04039	0.7
88.98814	80.2
89.02451	26.4
89.03022	0.7
89.99143	0.5
90.02784	1.1
94.98099	15.6
95.01420	0.9
96.96024	1.2
97.02959	1.7
99.00917	0.8
101.02444	3.0
106.98092	3.4
122.57563	0.4
122.97617	5.8
125.02438	3.7
127.00375	0.6
127.03996	0.9
134.97617	4.9
136.99153	1.5
148.99150	6.3
151.00383	0.8
152.98637	6.8
152.99731	0.7
164.98636	11.7
178.99892	0.9
182.99670	2.9
188.17010	0.4
188.98761	0.7
189.00389	0.6
206.99681	4.2
224.07028	0.7
224.44368	0.5
225.00742	18.9
243.01761	2.1
277.21716	6.8
278.22015	5.2
299.04449	2.8
350.62985	0.6
461.13593	1.3
502.29019	0.7
503.29724	7.4
504.30029	0.6
576.15747	0.5
577.26929	100.0
578.27203	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	577.3232
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29055	0.7
57.03437	3.7
58.00584	2.6
59.01377	30.2
61.98831	26.6
69.03448	1.1
69.79939	5.5
71.01381	10.3
71.05022	2.4
73.02958	8.1
74.37416	0.7
75.00866	1.9
75.83062	0.7
78.95889	1.6
81.03480	2.0
83.01405	2.4
85.02959	4.7
87.04520	35.4
88.04853	1.7
89.02444	8.8
93.03463	1.2
96.96010	4.6
97.02983	1.0
97.06612	1.2
99.00882	2.7
99.04539	1.2
99.92635	0.7
101.02452	5.5
101.06065	1.1
108.10821	0.6
111.08183	1.1
113.02460	3.0
114.99528	0.9
116.92890	0.7
117.97807	0.6
119.03500	1.2
123.08164	1.9
124.93716	0.8
125.02439	2.2
126.34573	0.7
126.46326	0.7
127.00391	3.7
137.09691	1.3
139.11273	1.8
141.09189	2.8
143.07173	2.1
149.04555	1.0
151.11298	5.0
153.12834	0.9
161.04553	1.6
165.12883	1.8
167.10771	2.3
168.11549	1.6
169.12361	17.2
181.12430	0.9
183.10263	1.0
189.00410	3.3
191.05630	2.8
193.12303	0.9
195.10147	0.9
212.76186	0.7
219.17566	1.0
223.13327	1.0
233.06584	2.7
242.02145	1.2
248.43492	0.8
251.20163	4.7
253.09258	10.7
253.21721	7.1
263.16516	4.4
264.16925	1.0
270.01755	1.3
281.17590	20.1
282.17862	2.6
293.08795	8.7
311.26047	1.5
327.62964	0.8
328.64435	0.7
355.24896	100.0
356.25253	14.8
379.24780	2.4
419.98477	0.9
445.57391	0.8
501.07596	0.7
517.29706	0.9
518.16589	1.7
524.85730	0.8
533.29083	2.1
577.15887	4.0
577.31879	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	577.2872
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27683	1.2
57.03460	3.6
59.01376	39.8
59.44314	1.4
61.98832	45.5
69.03479	2.1
70.68070	4.4
71.01383	14.7
71.05009	3.6
72.99290	1.4
73.02606	1.3
73.02946	9.0
75.00887	3.9
78.95906	1.7
83.01401	4.7
85.02975	4.3
85.06617	1.9
87.00861	1.9
87.04526	2.8
88.98804	11.0
89.02464	7.8
93.03429	1.4
95.05043	1.5
95.98682	1.3
96.96067	6.6
97.06606	2.1
99.00870	2.3
101.02447	12.7
109.06618	1.8
111.00904	1.4
113.02470	5.8
119.03526	3.1
123.08140	1.5
127.00372	5.8
142.77339	1.5
143.03586	1.6
157.78807	1.6
161.04567	4.2
167.10793	18.2
173.11842	2.0
179.05743	1.6
183.10320	3.4
188.11215	1.7
189.00455	6.2
191.05612	4.1
193.05118	1.5
193.12375	2.1
195.10283	2.1
214.02708	1.8
219.17703	1.8
242.02098	1.8
253.09290	36.1
254.09737	2.2
263.16504	24.8
264.16827	1.6
270.01678	3.5
271.87433	1.4
281.17575	100.0
282.17847	7.6
330.23169	1.5
355.24921	5.0
356.64420	1.3
517.29749	5.3
533.29333	7.0
577.16064	9.9
577.32800	17.1
578.15601	1.9
578.33270	1.8
604.35040	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	577.2692
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03414	0.3
58.32117	0.4
59.01379	3.3
61.98829	26.5
63.01562	0.3
63.96239	0.9
63.99259	0.4
69.03452	0.7
70.40651	1.3
71.01383	7.3
73.02941	1.9
74.29578	0.3
78.95928	1.5
78.98598	6.2
79.95742	10.5
80.96522	66.1
81.03465	1.0
81.35118	0.3
83.01394	0.5
85.02953	3.1
87.00869	2.7
94.98094	14.6
95.01389	0.5
96.96021	1.0
97.02970	1.5
98.19936	0.3
99.00913	0.7
99.04565	0.4
101.02430	2.4
106.98103	3.1
109.74114	0.3
113.02453	0.7
122.97588	3.0
125.02458	2.3
127.04027	0.5
134.97601	4.7
136.99135	1.6
146.97563	0.3
148.99152	5.4
151.00293	0.4
152.98647	6.3
152.99542	0.2
156.88837	0.3
164.98634	11.7
167.00204	0.6
188.98656	0.4
206.99652	2.2
225.00739	14.5
226.01016	0.6
227.32690	0.3
242.08066	0.5
277.21741	1.9
279.23267	14.0
299.04401	2.7
328.33987	0.4
380.28967	1.4
381.59814	0.3
479.16772	0.3
504.30948	5.2
577.26892	100.0
578.27191	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	577.2691
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23475	0.2
59.01378	16.2
63.53582	0.2
63.96236	0.5
66.23028	0.2
68.52578	0.2
69.22423	0.9
69.22853	1.2
71.01382	4.4
72.99303	0.3
73.02956	0.9
78.95914	4.7
78.98596	3.3
79.95741	5.7
80.96522	37.8
81.03449	0.5
81.96482	0.2
85.02951	1.8
87.00881	2.0
87.88339	0.2
94.98095	9.0
95.01414	0.4
96.96013	0.4
97.02946	0.8
99.00905	0.4
99.04482	0.2
101.02460	1.6
106.98093	1.6
113.02464	0.4
122.97594	3.7
125.02458	1.7
127.03997	0.4
134.97604	2.4
136.99197	0.9
140.53581	0.2
148.99150	3.3
151.00439	0.3
152.98608	4.3
152.99649	0.8
164.98645	7.0
167.00175	0.5
168.04343	1.2
179.00064	0.2
182.99664	1.5
206.99721	1.6
224.06924	0.7
225.00743	10.1
226.01022	0.5
242.07968	2.6
243.01862	0.8
261.22284	0.3
277.21750	1.3
279.23282	100.0
299.04456	1.8
329.07602	0.2
338.76758	0.3
362.44205	0.2
504.30927	44.2
519.26892	0.2
577.26923	55.0
578.27234	11.5
578.36548	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2869
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.8
57.03427	1.1
58.00595	0.7
59.01377	31.7
59.82840	0.3
60.01706	0.5
61.98830	3.8
62.31371	0.2
66.82033	0.2
69.03466	1.1
71.01382	17.3
71.05016	0.2
71.56779	0.5
72.01705	0.2
72.99312	1.4
73.02947	14.2
75.00890	0.5
76.51347	0.2
78.95929	0.5
81.03454	0.3
83.01389	3.6
83.05045	0.4
85.02953	3.9
86.00110	0.4
87.00883	4.0
89.02452	5.5
93.03487	0.4
95.01412	0.9
96.31326	0.2
96.95993	0.6
97.02975	0.8
97.06631	0.3
99.00896	1.4
99.08172	1.0
99.92614	0.3
101.02453	11.0
113.02454	3.6
113.09766	0.4
116.92861	0.6
119.03505	1.3
125.02466	0.4
125.09724	0.7
127.11287	0.8
131.03528	0.4
139.11266	0.5
143.03487	0.6
143.04744	0.3
155.10861	0.3
155.14568	0.3
161.04564	0.5
163.11334	0.8
165.12891	0.5
167.10791	0.7
167.14432	0.6
168.11656	0.4
171.10263	2.2
172.10507	0.2
181.12228	0.3
183.13893	0.8
183.34720	0.3
185.11708	0.4
189.00406	0.5
191.05667	0.9
193.12317	1.0
204.52769	0.2
209.11818	1.2
211.13399	6.6
212.13661	0.6
219.17619	0.3
229.14453	4.5
249.22244	1.1
253.09296	0.6
257.37762	0.2
263.16400	0.4
281.17517	0.6
293.21219	12.5
294.21619	1.4
311.22266	6.2
312.22559	0.8
329.06577	0.4
329.23328	9.3
330.23578	0.7
335.22440	0.3
341.23215	0.4
355.36328	0.3
408.21295	0.2
473.27493	4.8
474.27884	0.8
491.28604	9.1
492.29068	1.5
515.28528	0.4
533.29614	100.0
534.29974	18.7
577.15735	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.331
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	29.0
60.01692	0.5
61.98819	0.3
67.02229	0.2
70.85487	0.3
71.01378	0.4
71.36052	0.5
71.65381	0.3
78.95908	27.6
96.96962	0.4
110.65527	0.3
116.92870	0.3
122.98524	1.0
127.07660	0.3
132.75183	0.3
134.98553	0.2
152.99605	4.5
168.04323	4.8
194.05881	0.3
224.06917	11.3
225.07303	0.3
233.22647	0.5
242.07994	2.8
259.20618	0.6
275.20132	0.6
277.21707	100.0
278.22049	12.0
296.96118	0.2
350.08881	0.3
502.29352	89.7
503.29700	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	577.1935
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.6
55.96706	0.3
57.03443	1.6
58.00607	0.3
59.01377	100.0
60.01719	1.2
61.98841	1.4
69.03456	0.4
71.01382	6.4
71.69801	0.5
72.99307	0.5
73.02952	6.3
75.00854	0.4
79.95760	0.3
83.01393	3.8
85.02951	3.3
87.00891	3.5
87.04494	0.5
88.98807	0.5
89.02456	2.8
89.90923	0.3
95.01405	1.4
96.96033	4.2
97.02976	0.5
97.06586	0.5
98.95608	2.4
99.00884	3.8
99.92574	0.4
101.02451	4.4
103.92088	0.4
107.05017	0.7
111.00893	0.6
113.02471	4.2
113.09801	0.3
116.92872	0.5
117.36642	0.3
119.03523	0.9
120.99696	0.5
121.02981	1.3
121.10230	0.5
123.08216	0.3
125.02449	0.8
127.00381	6.2
129.01944	0.4
134.03729	0.6
135.04564	2.7
137.09752	0.5
142.99867	0.5
143.03525	0.9
143.22432	0.3
149.04509	0.3
153.09268	0.3
153.12897	0.3
159.03030	0.5
160.01677	0.3
161.04614	1.6
177.05609	1.1
178.02708	0.3
179.05624	0.8
179.55133	0.3
187.13264	0.3
189.00412	6.9
190.00909	0.3
191.05632	0.7
193.05083	1.2
197.11751	0.4
207.08109	0.3
209.15663	0.4
215.12881	0.4
216.13663	1.2
217.14444	0.5
221.06401	0.6
223.07568	0.5
234.07001	0.4
235.07632	1.7
237.05556	1.1
239.07201	0.4
245.17265	0.3
249.05531	0.5
250.06300	0.6
251.03665	0.5
251.07074	2.4
263.07129	1.2
265.05157	0.5
266.05640	0.4
266.09525	1.1
266.67804	0.3
267.06607	4.8
269.04532	0.9
277.05090	0.6
278.05795	0.4
279.06595	13.4
280.06992	1.5
289.04987	0.4
290.05798	0.8
291.06616	7.7
292.07315	2.9
293.08200	1.1
294.05609	0.5
294.08911	2.8
295.06116	17.6
296.06433	2.2
305.08163	1.3
306.08954	8.2
307.06128	25.7
307.09454	2.1
308.06387	2.5
309.07794	0.6
310.08441	15.6
311.08957	1.7
321.07700	3.4
322.08441	15.6
323.08908	2.1
325.10794	52.1
326.11115	7.0
329.10315	1.2
337.10797	82.4
338.11160	11.9
338.14508	0.2
353.06570	0.5
355.11905	1.5
355.24902	2.4
357.26575	0.6
366.52036	0.3
373.25809	3.3
427.27130	0.5
491.07281	1.6
491.14194	0.3
499.28864	0.4
517.30151	16.0
518.30566	2.2
533.08319	2.5
534.08124	0.4
535.31696	2.9
559.14911	0.5
563.56732	0.4
577.06976	0.8
577.15814	0.6
577.31299	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.344
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	11.7
61.98819	0.5
70.88099	0.8
71.01383	3.1
73.02958	0.9
73.35019	0.2
78.95914	0.8
83.01376	0.3
85.02949	0.9
87.00881	0.5
89.02441	2.3
91.04089	0.3
93.67089	0.2
95.01375	0.4
101.02462	3.0
108.02179	2.8
109.02939	0.6
113.02486	1.5
114.61366	0.3
119.03514	0.8
127.74290	0.3
128.36697	0.2
135.72618	0.2
152.01155	1.4
153.01801	0.3
154.74051	0.2
157.44305	0.3
161.04584	1.0
179.05560	0.3
235.08261	1.5
253.09273	13.7
254.09579	0.7
279.23276	100.0
280.23618	10.5
397.21753	0.3
506.28665	0.3
515.32117	0.4
517.22864	0.3
575.28839	3.1
576.29309	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.3028
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	0.1
57.52800	0.1
59.01371	0.2
61.98829	100.0
62.98532	0.2
69.53119	0.9
69.53529	0.3
69.93629	0.1
71.01394	0.5
73.83356	0.1
78.95959	0.1
78.98598	0.3
79.95757	0.5
80.96522	3.3
85.02927	0.1
94.98116	0.8
98.48151	0.1
106.98096	0.2
122.97629	0.2
125.02528	0.2
134.97623	0.2
148.99113	0.2
152.98669	0.4
164.98639	0.5
221.48405	0.1
225.00708	0.7
277.21707	0.5
278.22021	0.6
279.22458	0.4
280.22549	0.2
383.81238	0.1
577.26898	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	576.3029
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.2
61.98831	100.0
62.98540	0.2
65.67149	0.1
70.50684	0.3
78.95930	0.4
80.87184	0.1
93.56697	0.1
122.67181	0.1
206.29976	0.1
277.21805	0.4
278.22113	0.7
279.22464	0.3
280.22794	0.3
576.20142	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	576.3311
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	17.9
60.67994	0.1
63.10714	0.1
65.00338	0.1
70.16360	0.3
70.16776	0.5
71.01388	0.4
73.88089	0.2
78.95908	6.3
79.55603	0.2
87.00860	0.1
88.87456	0.1
96.96947	0.2
98.19824	0.1
104.40627	0.1
127.07609	0.2
130.11197	0.2
151.00391	0.4
152.99594	1.5
168.04300	1.7
178.99861	0.5
224.06938	0.9
233.22650	0.7
242.07985	2.9
249.18533	0.2
259.20557	0.5
275.20026	0.2
277.21704	100.0
278.22049	9.9
450.41907	0.2
461.13708	0.3
502.29367	41.7
503.29745	6.7
577.23224	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.271
Annotation	Unknow
Peak:m/z	Relative Intensity
56.87001	0.3
58.53496	0.3
59.01361	0.7
60.99306	15.9
61.98829	0.3
80.58959	0.3
82.78142	0.3
86.11674	0.3
87.00876	1.8
88.00415	4.5
88.01222	0.3
88.04053	0.7
88.98813	100.0
89.02450	39.8
89.99152	1.3
90.02787	0.8
98.19874	0.7
249.18703	0.3
399.25870	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.2712
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96218	0.4
55.99181	0.4
59.01367	1.5
60.99305	16.4
61.98823	1.0
65.10732	0.4
69.91418	2.9
86.29773	0.4
87.00885	2.5
88.00412	9.8
88.01215	0.6
88.04057	1.6
88.98813	100.0
89.02449	62.9
89.99155	1.3
92.52695	0.4
92.91792	0.4
98.19917	0.5
119.17074	0.4
148.91003	1.1
199.13995	0.4
204.21611	0.4
207.67444	0.4
242.07564	0.4
246.27322	0.4
249.18629	0.8
324.98044	0.8
337.87668	0.4
524.74133	0.5
575.16998	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.3437
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00610	0.2
59.01377	13.8
60.01713	0.2
61.98832	0.3
65.57881	0.2
68.97884	0.1
69.42719	1.9
71.01382	2.9
73.02943	0.7
75.33337	0.2
78.95899	0.2
83.01370	0.4
84.35027	0.2
84.86585	0.2
85.02953	0.6
85.47738	0.1
87.00872	0.4
89.02445	2.5
99.00937	0.2
101.02450	2.7
111.85115	0.2
113.02472	1.3
116.01244	0.1
119.03500	0.7
133.05116	0.2
143.03532	0.3
155.85233	0.2
161.04553	0.9
170.61172	0.2
219.14999	0.1
235.08226	1.5
253.09268	15.0
254.09593	0.8
273.35919	0.2
279.23270	100.0
280.23599	12.7
515.32422	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.2915
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21564	0.2
55.01886	0.8
57.03456	1.6
58.00600	3.1
59.01379	57.3
60.01714	0.8
61.98829	0.7
62.70735	0.2
68.99838	0.3
69.03456	1.0
71.01384	55.7
71.72497	0.2
72.01740	0.8
72.99313	4.1
73.02946	2.9
73.98977	0.2
75.00874	0.9
80.99831	0.2
81.03470	0.3
83.01392	5.6
83.05032	0.5
84.01731	0.2
84.02190	0.3
84.24155	0.2
85.02958	9.5
85.06570	0.2
86.03328	0.2
87.00884	16.3
88.01233	0.3
89.02451	62.4
90.02771	1.0
95.01391	3.7
96.01740	0.3
97.02954	1.0
97.06609	0.3
99.00883	1.6
99.04535	0.3
101.02455	30.3
102.02798	0.8
107.03467	0.3
107.45708	0.2
111.00882	0.8
113.02462	27.5
114.02795	0.8
115.04025	0.7
117.01945	0.6
119.03516	23.2
120.03854	0.4
124.33420	0.2
125.02481	1.4
127.07726	0.2
129.01965	1.0
131.03519	3.4
135.11938	0.2
139.07753	0.2
141.01913	1.1
143.03516	8.8
144.03812	0.3
149.04576	2.3
155.03525	0.3
159.03015	0.6
161.04570	9.5
162.04967	0.2
162.59009	0.2
177.16592	0.2
179.05626	22.4
180.05974	0.7
203.05640	0.6
205.19624	0.8
227.18195	0.2
231.17540	1.1
232.94231	0.2
233.19197	0.2
245.19051	1.1
247.17044	0.4
249.18581	100.0
250.18929	10.5
263.20139	4.2
264.20599	0.5
273.18439	1.1
291.16620	0.1
291.19662	3.7
292.20004	0.5
303.19620	0.2
321.20728	0.6
323.09818	17.4
324.10229	1.6
341.10889	48.2
342.11191	3.8
345.20871	0.2
351.21930	0.2
357.86856	0.2
363.21786	0.3
375.21616	0.2
428.54114	0.2
518.45856	0.2
573.28937	2.2
574.29486	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.3055
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	2.2
58.00599	0.9
59.01379	27.8
61.98830	8.5
65.00311	1.4
71.01382	21.4
71.27689	2.2
72.99323	2.9
73.02938	8.2
74.92641	0.8
75.00893	1.5
78.95925	1.2
83.01398	5.0
85.02956	8.0
87.00893	2.8
88.98863	1.1
89.02453	14.7
90.02823	1.0
95.01400	1.7
96.96017	8.5
99.00906	2.7
99.92594	2.6
101.02455	16.3
101.69836	0.9
107.01421	2.6
113.02456	9.5
115.92103	3.8
116.92100	1.7
116.92872	19.3
117.92873	1.7
119.03500	6.4
125.02438	2.0
127.00365	2.3
131.03540	2.9
135.04503	1.2
138.68582	0.9
143.03516	2.7
151.00380	8.0
159.03015	1.1
161.04556	8.2
169.01465	1.6
173.06050	1.4
175.96709	1.1
178.99870	6.1
179.05618	12.8
188.04823	1.1
189.00392	2.3
191.05698	1.6
193.03546	2.3
215.12859	1.2
217.14470	3.9
221.06660	12.9
226.96484	1.0
257.13129	1.2
263.07816	1.9
300.02841	1.4
319.17615	5.6
349.18515	2.2
361.07245	2.0
363.20264	4.4
375.27582	2.2
379.08319	3.9
379.19714	28.4
380.20227	4.1
397.09314	9.6
398.09756	1.0
415.17267	1.9
519.31665	7.5
535.31110	1.7
537.32764	21.1
538.33234	4.1
573.12543	4.1
573.30548	100.0
574.12744	1.0
574.22571	1.1
574.30920	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	573.2915
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21564	0.2
55.01886	0.8
57.03456	1.6
58.00600	3.1
59.01379	57.3
60.01714	0.8
61.98829	0.7
62.70735	0.2
68.99838	0.3
69.03456	1.0
71.01384	55.7
71.72497	0.2
72.01740	0.8
72.99313	4.1
73.02946	2.9
73.98977	0.2
75.00874	0.9
80.99831	0.2
81.03470	0.3
83.01392	5.6
83.05032	0.5
84.01731	0.2
84.02190	0.3
84.24155	0.2
85.02958	9.5
85.06570	0.2
86.03328	0.2
87.00884	16.3
88.01233	0.3
89.02451	62.4
90.02771	1.0
95.01391	3.7
96.01740	0.3
97.02954	1.0
97.06609	0.3
99.00883	1.6
99.04535	0.3
101.02455	30.3
102.02798	0.8
107.03467	0.3
107.45708	0.2
111.00882	0.8
113.02462	27.5
114.02795	0.8
115.04025	0.7
117.01945	0.6
119.03516	23.2
120.03854	0.4
124.33420	0.2
125.02481	1.4
127.07726	0.2
129.01965	1.0
131.03519	3.4
135.11938	0.2
139.07753	0.2
141.01913	1.1
143.03516	8.8
144.03812	0.3
149.04576	2.3
155.03525	0.3
159.03015	0.6
161.04570	9.5
162.04967	0.2
162.59009	0.2
177.16592	0.2
179.05626	22.4
180.05974	0.7
203.05640	0.6
205.19624	0.8
227.18195	0.2
231.17540	1.1
232.94231	0.2
233.19197	0.2
245.19051	1.1
247.17044	0.4
249.18581	100.0
250.18929	10.5
263.20139	4.2
264.20599	0.5
273.18439	1.1
291.16620	0.1
291.19662	3.7
292.20004	0.5
303.19620	0.2
321.20728	0.6
323.09818	17.4
324.10229	1.6
341.10889	48.2
342.11191	3.8
345.20871	0.2
351.21930	0.2
357.86856	0.2
363.21786	0.3
375.21616	0.2
428.54114	0.2
518.45856	0.2
573.28937	2.2
574.29486	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.1748
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03421	8.5
59.01374	29.9
61.98816	27.8
63.94082	7.3
67.78643	6.2
70.55843	30.6
71.01380	20.3
73.02937	18.4
78.95914	9.3
88.98853	9.1
96.96026	17.3
97.60156	7.2
101.02448	10.8
106.61819	7.0
109.06646	6.8
110.56154	6.4
113.02412	7.0
114.93427	14.6
115.00397	54.6
116.92912	14.6
127.00385	10.9
127.07639	8.6
128.03648	7.2
130.08772	70.0
149.02466	21.0
150.03278	12.8
165.05498	13.7
172.09843	100.0
179.07166	8.9
180.04277	6.6
189.00397	16.8
191.05721	9.6
194.04471	8.1
195.06622	20.0
267.08658	11.3
271.05930	8.3
271.21518	7.5
312.10120	12.5
327.12396	49.8
327.76236	7.9
346.75751	6.6
375.14462	20.4
432.79828	8.4
454.08249	8.2
465.79767	8.1
503.74496	7.3
573.17426	26.4
573.28247	9.8
574.28131	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	573.2917
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	1.2
57.03434	2.1
58.00592	3.3
59.01378	42.3
60.01724	0.5
61.98822	1.3
67.06510	0.4
68.99837	0.6
69.03449	2.0
69.40697	0.9
69.41100	3.3
71.01384	53.6
72.01702	1.1
72.99308	3.9
73.02950	11.4
75.00875	2.3
78.95907	0.6
81.03468	0.6
83.01395	12.3
83.01897	0.6
83.05042	1.1
85.02956	13.4
85.21414	0.4
87.00883	63.4
88.01214	0.9
89.02450	41.7
90.02779	0.5
95.01399	5.0
97.02964	2.7
97.06606	0.9
99.00893	2.1
99.04574	0.5
101.02452	31.4
102.02764	0.8
107.05046	0.5
111.00876	1.2
111.08147	0.6
113.02463	37.1
114.02782	1.0
115.04034	1.8
117.01961	0.9
119.03509	12.1
125.02470	2.2
125.06068	1.3
127.04103	0.4
127.07673	0.7
129.01978	2.3
131.03522	3.3
139.04013	0.4
139.07681	1.2
139.84909	0.4
141.01950	4.1
143.03513	9.6
149.04599	1.3
159.03021	1.4
161.04561	15.6
162.04893	0.7
177.16530	0.8
179.05618	18.2
180.05977	0.8
203.05618	0.6
205.19620	1.0
227.18153	1.8
231.17505	1.3
233.19028	0.8
233.34312	0.5
235.20731	0.6
245.19089	7.1
246.19522	0.6
249.18578	100.0
250.18936	10.8
263.20132	18.9
264.20517	2.0
273.18671	3.7
274.18958	0.4
291.19638	11.6
292.19986	1.3
303.19662	0.9
321.20724	1.3
323.09814	21.3
324.10168	1.9
331.75156	0.4
341.10895	61.6
342.11237	4.5
344.63855	0.4
345.20755	0.5
573.29138	2.5
574.29553	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.2254
Annotation	Unknow
Peak:m/z	Relative Intensity
53.98457	0.1
55.79848	0.1
57.07918	0.1
58.34312	0.1
59.01377	1.6
61.43913	0.1
61.98831	100.0
62.98512	0.2
69.30859	0.9
69.31267	0.2
70.82022	0.1
71.01397	0.8
71.05018	0.3
72.99334	0.1
73.02951	0.4
75.00891	0.2
78.95908	0.2
81.22816	0.1
83.01405	0.2
85.02994	0.3
88.98820	0.2
89.02445	0.4
96.96045	0.4
96.96994	0.1
97.02977	0.1
99.00914	0.3
101.02447	0.3
103.96535	0.1
113.02480	0.3
116.92884	0.3
119.03511	0.1
119.05058	0.2
123.08187	0.4
125.02460	0.1
127.00410	0.4
127.07710	0.2
163.03990	0.2
177.01971	0.4
189.00420	0.3
189.09265	0.3
191.05666	0.1
191.07213	0.3
201.54762	0.1
203.07121	0.6
205.08768	0.2
209.11917	0.2
219.13831	0.1
263.12653	0.1
329.17538	1.4
341.11142	0.2
347.18655	2.2
371.18790	0.4
371.24484	0.2
508.23700	0.5
569.23505	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.276
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02975	0.8
61.98830	100.0
71.01384	0.4
71.57858	0.8
72.26457	0.4
73.02964	0.9
74.02496	1.4
86.02500	0.8
99.05667	1.0
104.20412	0.4
124.14510	0.4
127.00406	0.9
128.03596	2.9
141.06699	0.5
143.04622	3.5
145.02985	1.3
145.06242	0.5
146.04611	0.6
160.00821	1.0
167.04741	0.5
176.49284	0.4
177.03415	0.6
179.04684	0.9
181.41298	0.4
185.18840	0.4
185.20702	0.4
189.00444	1.1
210.08824	0.7
254.07838	1.3
272.08844	2.4
288.06534	0.8
306.07675	7.1
307.08002	0.7
505.28101	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	570.2919
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	3.7
61.98835	21.3
69.22449	26.6
71.01395	2.6
81.12749	2.1
82.95424	16.6
84.00916	100.0
84.95126	11.1
133.97115	2.0
143.04686	2.4
230.74030	2.3
249.18645	25.8
250.18877	3.5
253.09222	5.4
348.20114	2.3
570.38678	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	572.2353
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18215	0.6
58.00603	0.6
59.01376	10.3
61.98829	100.0
65.97352	0.7
70.85762	0.5
71.01384	5.9
71.66593	0.6
72.99316	0.9
73.02950	1.3
75.00877	0.8
83.01369	0.8
85.02959	1.9
87.00886	1.2
88.98804	0.6
89.02455	6.6
94.06675	0.6
96.96011	1.5
99.00894	0.9
101.02460	4.0
113.02444	3.6
116.92890	0.6
119.03530	2.4
119.79613	0.6
120.08202	0.8
122.06116	0.7
127.00381	1.1
151.00366	1.6
179.05650	2.0
189.12918	1.2
191.05566	0.7
227.03517	0.8
234.40863	0.6
243.03085	2.1
255.03069	2.0
271.02499	5.8
278.05652	0.6
287.14246	0.8
299.01920	5.4
300.02753	12.7
303.19833	1.3
305.90381	0.6
329.17712	2.6
341.10767	1.2
347.18625	19.6
348.19034	2.8
351.22098	0.9
389.19888	1.6
397.09332	7.4
407.48080	0.7
455.93716	0.6
509.23917	40.2
510.24210	6.2
529.26593	1.0
572.30347	1.0
573.27515	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	566.1745
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35878	0.1
56.92179	0.1
60.34961	0.1
61.98818	0.7
62.06775	0.1
65.03944	0.2
70.59389	0.5
70.59743	0.2
71.01382	0.4
78.95896	0.6
85.02954	0.3
93.03465	54.6
94.03792	1.7
96.96970	0.3
97.07265	0.2
98.19959	0.1
108.02175	0.2
128.03593	0.3
134.04741	1.8
135.04732	0.2
137.02458	100.0
138.02794	3.5
143.04597	0.3
175.01878	0.2
179.03354	0.2
179.87801	0.2
181.72021	0.2
261.05316	0.2
272.08911	0.3
277.96103	0.2
294.27667	0.2
299.07733	6.7
300.07996	0.5
304.06052	0.5
306.07663	0.7
315.07321	0.3
360.26505	0.2
361.47015	0.2
462.10083	0.1
573.53522	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.2038
Annotation	Unknow
Peak:m/z	Relative Intensity
54.91682	0.2
61.08864	0.2
61.98830	100.0
70.49174	0.4
73.02958	0.3
83.01402	0.2
99.00878	0.2
109.70640	0.2
109.92178	0.2
127.00365	0.4
189.00436	0.6
212.71446	0.1
222.90720	0.1
325.05536	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.213
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03427	1.8
57.83673	1.1
58.02980	6.0
59.01384	11.7
61.98830	45.9
62.52473	1.2
68.05055	2.6
69.27083	14.7
70.02977	5.7
71.01383	5.7
72.00900	3.7
72.84306	1.1
73.02943	3.9
73.04075	14.0
74.02476	10.9
75.00867	2.0
78.95885	2.2
80.05065	3.6
82.02988	17.0
83.01395	1.7
83.05027	1.6
84.00934	1.6
84.04555	1.4
85.02935	1.3
85.04060	2.5
88.98779	2.0
89.02460	1.9
89.95622	1.1
96.04550	2.9
96.96027	6.3
98.02467	1.7
98.06139	3.4
99.00883	2.5
99.02007	5.4
99.05647	3.7
101.02445	3.0
105.42450	1.2
109.01699	2.5
109.04089	5.8
110.02474	1.8
112.02785	1.4
112.04061	2.9
113.02479	1.7
113.03569	3.0
113.07215	1.8
115.05133	2.9
115.92104	2.3
116.03534	2.3
116.92872	7.7
118.06684	1.7
119.05002	1.4
122.02476	2.5
123.05648	5.3
124.04057	57.3
125.03590	2.5
125.04391	2.0
127.00372	2.2
127.05160	29.1
128.03555	49.1
130.06200	2.2
137.07272	1.3
139.01486	1.2
139.05133	7.3
141.06714	21.5
141.10356	1.3
142.05084	2.9
145.64680	1.3
147.04544	14.3
147.05768	2.4
148.04376	4.2
149.04593	1.5
149.07288	2.0
150.03348	1.3
150.05530	1.3
152.99574	4.1
155.08273	2.4
156.07771	1.4
158.09380	6.2
163.08760	1.5
164.07188	30.3
165.07405	1.3
166.06239	51.6
167.04646	12.2
168.03018	3.1
170.02901	1.7
172.04367	2.8
177.10349	3.5
184.07292	39.7
185.05713	25.5
185.07402	2.2
186.05786	1.5
189.00409	4.4
189.02017	1.3
189.07048	6.5
190.05444	16.6
191.05667	2.8
198.05919	1.9
203.08202	1.5
206.08232	3.9
221.09315	10.3
231.11420	2.2
240.08127	5.2
241.06549	8.6
247.07544	9.6
253.42934	1.2
258.09186	8.8
265.07104	3.5
265.11877	4.8
275.10327	4.9
288.13593	9.2
300.02713	1.9
314.11655	1.7
316.09497	2.2
318.11435	1.9
319.09488	1.7
332.12482	33.0
333.12674	3.7
340.09799	2.7
358.10675	16.7
359.11288	3.0
376.15210	7.6
430.24710	1.4
445.16437	1.3
461.18280	1.7
462.51675	1.3
463.16525	2.0
505.10135	2.3
505.17502	37.2
506.18005	7.5
523.18762	100.0
523.27484	13.8
523.77991	4.7
524.19080	16.6
524.27301	2.8
547.13751	1.3
549.20288	7.7
567.21295	97.2
568.21600	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	565.0486
Annotation	UDP-Galactose
Peak:m/z	Relative Intensity
59.01365	0.4
60.66304	0.2
60.93803	0.2
62.96405	0.8
67.25977	0.2
69.91227	1.1
71.35739	0.2
78.95908	100.0
79.96344	0.2
86.13309	0.2
96.96084	1.9
96.96970	39.3
97.56190	0.2
108.04526	0.3
111.02014	8.9
111.02791	0.4
120.96986	1.9
134.33354	0.2
138.97025	0.2
138.98039	3.1
150.98030	3.0
158.92549	16.2
162.98033	0.3
164.03627	0.4
174.98055	1.2
176.93617	1.0
178.95000	0.3
181.89705	0.2
192.99089	1.4
201.02631	0.3
204.99028	0.3
211.00137	4.9
223.00064	0.4
241.01196	8.5
242.01465	0.3
259.02274	0.4
272.95697	4.8
273.96118	0.2
280.02295	2.0
305.01691	1.1
320.97781	2.9
323.02838	57.6
324.03146	3.9
384.98407	4.0
385.99188	0.3
402.99484	1.4
467.07336	0.3
565.04822	27.1
566.05133	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	565.2425
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	3.3
59.93815	0.6
61.98822	2.4
70.04390	3.3
78.95907	63.5
79.42072	0.8
83.05052	0.9
85.02962	0.6
90.19263	0.7
91.08623	0.6
91.70554	0.6
94.43913	0.6
95.03819	0.6
96.96970	13.2
96.97540	1.3
121.02990	0.8
150.98007	0.9
152.99602	100.0
153.99913	1.8
167.19106	0.7
171.00635	2.3
191.05684	1.5
223.00099	11.3
231.17441	0.8
241.01184	23.4
249.18587	45.8
250.18947	4.4
259.02173	2.1
315.04865	15.6
333.06015	1.1
347.62085	0.8
565.24213	95.2
566.24585	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	565.2508
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	0.7
57.03441	1.4
58.00596	1.3
59.01378	86.3
60.01716	1.3
61.98833	13.2
62.86692	0.4
66.17768	0.4
69.03453	1.4
70.23744	1.4
71.01385	22.5
72.99321	1.6
73.02950	18.3
73.03364	0.9
74.02489	1.1
78.95910	1.2
81.03465	0.5
83.01390	6.5
83.05048	0.8
85.02954	4.6
87.00887	2.3
88.98809	0.8
89.02454	9.8
90.61097	0.4
93.03468	0.5
95.01385	1.0
96.96040	0.8
97.02950	0.5
99.00901	1.2
99.08210	0.4
99.92613	1.2
101.02454	21.1
102.02763	0.5
109.06612	0.7
111.00855	0.5
113.02462	7.2
114.02776	0.5
116.92878	8.8
117.92892	1.0
119.03538	3.5
121.02975	0.8
125.02481	0.7
130.08800	1.3
131.03532	1.4
135.04532	0.5
138.05589	1.1
143.03528	1.0
143.10826	0.4
149.04616	0.8
157.13524	0.7
161.04607	2.6
165.09230	0.4
165.12852	0.6
179.05647	0.9
183.13861	0.9
189.00421	0.7
191.05753	0.4
224.01164	0.5
257.17615	0.4
312.15598	0.6
317.19785	1.2
401.21628	0.7
419.22885	0.8
461.24106	1.7
479.24985	2.3
503.24017	4.4
504.25424	0.6
521.26007	100.0
522.26318	16.8
565.30334	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	565.3235
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	0.7
59.01374	11.6
61.98834	6.5
64.41774	0.7
71.01382	2.9
73.02946	0.9
78.95900	2.8
83.01385	1.0
83.43522	0.7
84.29309	0.6
85.02962	0.7
87.00887	1.0
89.02456	4.9
91.37450	0.6
96.96035	1.0
96.96971	1.0
99.08157	2.5
101.02441	5.2
113.02469	2.7
113.09735	1.9
119.03527	1.6
134.03757	2.8
139.20811	0.7
141.09259	0.8
143.03465	0.8
143.07153	2.9
149.06059	1.1
152.99623	0.9
160.01689	0.9
161.04584	2.6
161.05910	0.6
178.02643	1.0
186.20511	0.8
191.05577	1.0
193.05081	3.5
228.83939	0.7
234.34149	0.8
253.09282	39.6
254.09579	2.0
267.19641	1.5
269.21210	100.0
270.21548	10.6
578.64716	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.3155
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.4
61.98833	2.1
65.36723	0.3
71.72449	0.7
78.95908	9.0
85.06589	2.1
122.00166	0.5
138.22849	0.3
140.01216	2.9
152.99570	1.0
165.12823	0.5
167.11574	0.3
177.01910	0.6
181.12408	0.5
189.00276	0.4
191.05659	0.6
196.02139	0.5
196.03728	1.8
199.13406	6.6
214.04878	3.7
251.20158	0.6
261.18625	0.8
279.19659	14.7
280.19958	1.9
281.61707	0.4
312.65976	0.3
347.25983	5.3
348.26343	0.9
363.25403	0.9
365.26965	100.0
366.27353	14.1
527.39075	0.4
562.31549	27.7
563.31958	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	563.1046
Annotation	Isorhamnetin 3-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
50.43814	0.5
51.94349	0.6
57.03432	1.8
59.01379	56.3
60.01701	1.3
61.98830	4.6
63.81275	0.6
65.00320	0.9
71.01015	1.1
71.01382	16.5
71.66972	0.9
72.99308	0.8
73.02949	6.2
75.93652	0.6
78.95900	1.0
83.01376	3.2
85.02948	8.4
87.00877	2.6
89.02452	6.0
93.03444	1.8
95.01406	1.8
96.96003	2.3
96.96941	0.7
97.02945	1.6
97.06570	0.8
99.00872	2.4
99.92536	0.6
101.02458	10.9
106.39415	0.7
107.05057	1.0
109.02965	2.3
111.00887	1.8
113.02467	9.7
113.76595	0.6
119.03505	1.8
121.02982	3.8
125.02456	1.5
127.00417	0.9
133.02980	0.7
143.03516	0.8
149.04607	0.7
151.00404	1.0
153.12918	0.9
161.04613	3.3
165.01955	13.1
171.04559	0.6
179.05513	0.6
183.02954	0.8
183.13866	1.0
189.00449	0.8
191.05667	3.5
193.01375	2.0
199.04002	2.7
201.14944	1.0
203.03574	0.7
215.03450	1.9
215.10765	1.9
226.02768	2.0
227.03485	3.2
242.02034	0.7
243.02971	6.2
253.09218	3.4
253.17996	0.7
254.02216	2.1
255.02742	3.2
255.15985	1.8
256.03635	0.8
259.09683	3.8
269.04495	2.1
271.02448	66.3
272.02808	7.4
277.10876	0.8
285.03949	2.2
286.04739	1.2
287.05460	1.5
297.04126	1.0
299.01956	100.0
300.02496	15.9
314.04309	87.8
315.05029	54.4
315.08936	1.3
315.18057	0.8
316.05402	5.7
327.16391	0.6
327.21808	7.2
341.27097	1.4
359.27991	8.0
371.15015	1.0
383.28192	0.7
400.39514	0.6
421.14984	1.9
439.15961	0.9
455.30045	0.6
477.10275	4.2
478.10574	1.1
481.17078	6.2
482.17896	0.8
483.17770	0.7
502.30997	3.0
503.32181	41.9
504.32391	4.7
519.11414	94.2
519.24335	6.7
520.11804	17.1
520.24420	1.4
520.32001	1.0
521.33264	13.4
522.33398	1.0
545.32635	1.6
556.93958	0.7
563.33923	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.2668
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65421	0.3
56.86039	0.3
58.35104	0.3
59.01369	0.8
61.98828	100.0
62.98553	0.4
71.69894	0.5
73.96954	0.3
75.75705	0.3
78.95918	0.4
96.96047	0.5
111.44478	0.3
115.00462	0.4
115.93929	0.3
138.14987	0.3
189.00568	0.3
208.93864	0.3
271.60266	0.3
319.71887	0.3
436.07098	0.3
436.13928	0.3
479.19537	0.3
495.42038	0.3
564.30530	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.2668
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	0.3
59.01402	0.4
61.98832	100.0
71.69634	0.4
73.02964	0.3
75.37202	0.2
85.02980	0.4
88.98811	0.3
96.96033	1.0
111.00908	0.8
115.46255	0.2
116.92851	0.5
120.99685	1.0
127.00409	0.4
128.13971	0.2
154.06247	0.2
157.76738	0.2
173.00966	0.5
189.00493	0.5
252.04987	0.2
281.19174	0.3
310.03900	0.3
478.18143	0.2
479.19424	0.3
528.21002	0.3
544.69330	0.3
565.25116	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.2667
Annotation	Unknow
Peak:m/z	Relative Intensity
55.99348	0.2
59.01365	0.3
61.98831	100.0
62.98532	0.2
66.27769	0.1
70.78911	0.3
70.79251	0.2
71.01389	0.2
72.47190	0.1
73.02964	0.1
78.95927	0.2
80.96523	0.2
86.46552	0.1
88.98840	0.1
93.03460	0.2
96.96029	0.4
106.27682	0.1
111.00897	0.3
135.04495	0.7
136.04872	0.3
150.74739	0.1
154.06261	0.2
163.26723	0.2
166.76611	0.1
173.00931	0.2
179.03514	0.2
191.05614	1.1
192.05959	0.4
210.60074	0.2
264.96860	0.2
317.02063	0.1
371.15137	0.2
372.15414	0.4
387.31714	0.2
462.74030	0.1
531.31262	0.1
565.23157	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.1421
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	9.5
59.01380	5.8
61.98829	14.5
68.82779	0.2
71.01385	3.6
71.69730	0.2
71.70081	0.2
72.99297	0.3
73.02952	4.0
81.03469	0.6
83.01392	1.7
83.77887	0.2
85.02959	1.2
87.00880	0.3
88.98802	1.3
89.02459	1.8
93.03481	0.2
95.01388	0.2
96.96004	0.8
99.00888	1.5
99.04533	11.7
100.04903	0.2
101.02454	6.2
105.07130	1.1
107.05030	0.7
109.02969	0.4
113.02486	1.3
116.92844	0.2
118.98078	0.4
119.03538	0.5
121.02987	0.4
125.02462	10.6
126.02823	0.4
127.00375	3.3
128.03587	0.2
131.05046	0.5
142.99890	0.3
143.03502	0.7
147.04491	0.3
149.02444	0.5
149.04617	0.5
149.06093	4.9
161.04565	0.7
170.99226	0.2
175.04037	1.2
177.05530	0.5
189.00430	4.0
189.05457	0.3
190.00745	0.4
190.06325	0.3
191.05638	0.9
193.05066	100.0
194.05397	5.7
201.88469	0.2
205.08629	0.4
207.01353	0.3
235.06020	1.1
235.82378	0.2
253.04720	0.3
282.05255	0.3
293.32047	0.2
297.07785	0.3
305.08728	0.8
311.12994	0.2
337.10294	0.2
341.13892	1.3
355.10458	0.7
355.98660	0.2
359.14789	0.3
371.20590	0.4
397.11377	0.3
443.17432	0.2
455.15604	2.1
456.15891	0.5
499.14569	10.8
500.14868	1.9
501.30786	0.5
502.30731	0.4
503.19193	0.4
503.25082	4.3
518.25580	0.4
545.78064	0.2
562.78290	0.2
563.17694	0.2
581.05859	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.2917
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	0.5
57.03439	0.8
58.00594	0.5
58.01534	0.5
59.01380	33.2
61.98829	9.5
62.89610	0.5
69.03455	0.5
70.28505	2.2
71.01384	6.2
71.05022	3.0
73.02946	2.2
83.01379	1.1
85.02952	1.7
87.00868	0.6
89.02455	5.1
95.01341	0.5
96.96040	1.2
97.00593	0.6
101.02448	6.5
104.00577	0.4
113.02454	3.8
119.03517	1.6
127.00390	0.8
143.07144	1.7
149.13351	0.9
161.04518	2.5
163.14946	1.1
179.05621	1.3
189.00417	1.2
189.12840	0.6
191.05484	0.8
195.13898	1.7
203.18088	3.4
207.13896	16.1
208.14275	0.8
235.08220	1.8
247.14453	1.0
247.17014	20.2
248.17360	1.9
253.09271	29.6
254.09610	1.7
265.18060	100.0
266.18390	9.7
269.44501	0.5
341.10922	1.7
367.06848	0.7
438.52170	0.5
523.64392	0.5
529.35406	0.5
534.40656	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.2922
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92323	1.0
57.03449	2.1
59.01375	31.8
61.98831	18.9
70.93356	2.9
71.01385	9.1
73.02952	3.0
83.01408	1.2
85.02943	1.7
89.02465	6.4
95.05047	0.9
97.06587	5.2
99.00888	1.4
101.02459	8.2
102.79728	0.9
106.76729	1.2
113.02459	3.3
113.09737	3.4
113.56564	1.0
114.29366	0.9
117.11320	1.0
119.03485	1.4
121.10254	3.4
125.06101	1.2
127.00373	1.1
127.07678	3.1
139.11272	1.3
143.07162	18.4
144.07387	1.1
149.09662	1.1
155.07164	7.5
157.08716	1.5
161.04617	3.1
189.00435	1.2
190.41904	1.0
191.05603	2.2
203.18057	2.9
216.63922	1.0
235.08118	1.2
247.17039	18.0
248.17387	2.0
253.09282	36.0
254.09636	1.8
265.18063	100.0
266.18384	9.5
404.16528	1.1
544.04437	1.1
561.32855	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	561.3075
Annotation	Unknow
Peak:m/z	Relative Intensity
57.62843	0.5
59.01379	100.0
60.01711	0.9
61.86099	0.4
61.98811	0.7
71.01398	0.4
71.18514	1.2
71.66304	0.5
85.64620	0.6
86.81887	0.4
88.44768	0.4
97.88834	0.4
98.96803	0.4
100.56018	0.4
149.33517	0.5
150.30251	0.5
154.18054	0.5
156.25856	0.5
161.97482	0.5
249.18610	6.0
250.18877	0.5
273.82211	0.4
308.52295	0.4
397.50500	0.5
407.69626	0.5
500.90533	0.5
545.76349	0.5
572.69989	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.1055
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01352	0.3
61.98830	100.0
67.01917	0.3
69.82005	0.7
69.82425	1.0
72.99327	0.3
74.13125	0.3
74.45442	0.3
78.95925	0.6
83.01395	0.5
89.02512	0.3
96.96038	0.5
99.00908	0.9
100.77576	0.3
109.02969	1.6
115.00415	0.6
116.92887	0.6
125.02485	0.3
134.04807	0.6
135.04555	1.0
137.02460	0.3
139.00389	1.4
149.06105	8.7
149.07281	0.4
150.06476	0.6
159.04546	0.4
161.02470	2.1
161.06160	0.6
163.04070	0.6
165.01947	1.7
165.05576	0.5
174.03183	0.3
175.04012	1.6
177.01945	1.5
177.05646	0.6
185.06178	0.3
187.04077	0.7
191.03740	0.3
191.05580	0.5
193.05099	1.7
203.07195	0.5
206.02092	0.3
213.05635	0.3
219.03001	4.3
220.03436	0.5
229.05130	0.5
231.03006	0.8
231.06689	1.1
233.04579	1.5
234.04846	0.2
237.04036	6.2
238.04332	0.4
250.76491	0.3
257.04529	0.7
259.02451	4.0
260.02850	0.4
274.04974	0.4
275.05692	0.5
277.03546	0.8
293.06638	0.7
301.03458	0.6
319.04694	0.9
337.05643	10.5
338.06155	1.3
381.08215	0.6
399.09500	0.8
425.40176	0.3
426.06061	0.3
439.09039	0.7
481.09860	22.9
482.10168	3.4
499.10867	8.6
500.11459	0.9
562.10583	1.9
563.11469	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.2922
Annotation	Unknow
Peak:m/z	Relative Intensity
58.52987	0.3
59.01378	0.4
61.98821	0.9
71.69986	0.5
72.99316	1.8
75.00877	100.0
76.01212	1.3
89.02544	0.3
116.86810	0.3
134.03729	0.4
191.05684	0.4
249.18352	0.5
251.09911	0.3
547.23865	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.2916
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29678	0.1
54.75047	0.1
59.01390	0.2
61.98818	0.3
70.29177	0.4
70.29568	0.6
71.40760	0.2
71.41162	0.1
72.99306	1.6
75.00876	100.0
76.01218	1.2
78.95902	0.6
83.35267	0.2
140.01190	0.2
191.05640	0.4
196.03784	0.2
199.13377	0.4
249.18686	0.4
318.59216	0.2
365.26892	1.1
562.31537	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.292
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09841	1.2
54.81520	1.4
55.01857	1.2
57.03459	1.5
59.01377	40.4
61.98829	68.4
66.91323	1.4
70.04337	1.2
70.85575	2.2
70.85920	3.8
71.01384	14.3
72.93580	1.4
73.02955	8.8
78.95899	1.7
83.01376	8.7
85.02965	2.7
87.00898	1.6
87.04558	1.5
88.98792	1.9
89.02443	12.7
95.76433	1.5
96.96013	3.7
97.06598	6.7
99.00883	5.2
99.08155	1.7
101.02444	13.4
113.02463	6.3
116.92887	1.5
119.03515	4.1
121.10246	14.4
125.06115	12.7
127.00397	10.9
134.73138	1.4
142.99792	2.1
143.07156	56.0
149.09750	1.8
149.13371	2.7
161.04567	6.2
167.10756	4.7
171.10289	1.6
189.00455	12.5
203.18044	7.4
229.15976	2.1
235.08188	3.2
247.17023	80.0
248.17372	8.2
253.09276	90.0
254.09656	5.0
265.18066	100.0
266.18423	9.1
320.41681	1.6
339.25262	2.1
486.89999	1.6
517.29736	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	558.2713
Annotation	Unknow
Peak:m/z	Relative Intensity
55.59849	0.2
59.01379	0.3
61.98830	100.0
62.98532	0.3
70.09285	0.8
71.01379	0.3
79.63602	0.2
80.96517	1.0
81.95339	0.2
82.96113	1.5
93.03485	0.5
94.98081	0.4
96.97665	0.4
130.50626	0.2
132.38167	0.2
137.02490	0.8
152.99600	0.2
165.02020	0.2
167.01256	0.3
173.04533	0.2
199.34088	0.2
199.57895	0.2
201.40720	0.2
212.05652	0.2
226.67523	0.2
283.26636	0.2
292.40903	0.2
324.80853	0.2
366.86691	0.2
539.97461	0.2
557.29083	0.4
558.28741	3.4
559.29236	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.1313
Annotation	Unknow
Peak:m/z	Relative Intensity
55.06616	1.6
59.01371	4.3
61.98821	3.8
71.68580	2.2
75.00888	3.0
83.01398	6.7
87.00861	1.9
93.03470	2.7
96.95998	1.8
99.00887	7.4
108.90137	1.9
109.02973	8.6
110.61221	1.7
115.00384	3.2
121.03005	2.2
121.06631	2.5
122.89053	2.0
125.02468	1.9
127.63386	1.9
134.68608	1.7
135.04509	5.3
144.04546	3.1
145.03015	2.2
147.04512	2.9
148.05232	3.8
149.06094	100.0
150.06453	6.1
161.02469	8.4
161.06007	2.0
163.03979	6.8
165.05602	5.5
167.03505	2.9
174.03081	1.8
175.04001	16.1
177.01976	11.2
187.04048	2.3
187.07579	1.7
188.03362	1.9
189.05537	5.1
193.05086	19.6
206.02339	2.7
219.02995	40.5
220.03384	2.6
233.04530	15.8
236.34312	1.8
237.04047	58.6
238.04315	4.6
251.05556	2.0
255.05258	2.8
275.05655	2.5
277.03479	9.4
293.06549	2.4
319.04565	8.4
337.05646	85.2
338.05856	11.1
371.09842	2.9
381.08154	7.2
399.09167	6.9
439.08759	5.5
481.09842	10.7
499.10904	56.9
500.11218	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	560.1627
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.3
59.01377	4.5
61.98830	100.0
62.98533	0.2
70.67006	0.2
71.01386	1.7
71.21944	0.1
73.02945	0.8
83.01400	0.5
83.05053	0.1
85.02969	0.4
87.00924	0.2
89.02448	0.7
93.03461	0.1
95.01418	0.1
96.96049	0.3
97.06593	0.1
99.00872	0.4
101.02454	1.1
101.03097	0.1
111.00829	0.1
113.02453	1.1
116.92858	0.1
117.26046	0.1
119.03534	0.3
125.02469	0.2
127.00365	0.5
127.11267	0.1
137.09769	0.1
137.38016	0.1
143.03474	0.1
155.10759	0.1
161.04568	0.4
179.05666	0.1
189.00423	0.5
203.07155	0.4
204.07477	0.4
205.07834	0.3
207.01511	0.1
216.53874	0.1
225.18489	0.1
238.26379	0.1
322.35825	0.1
325.20389	0.2
339.25552	0.2
341.52579	0.1
353.84460	0.1
357.26547	0.4
450.73035	0.1
500.29410	0.1
501.30722	1.7
501.37592	0.1
519.31506	0.6
558.60638	0.1
559.31305	0.2
560.15906	0.1
560.31488	0.1
561.32813	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.3108
Annotation	13beta-Hydroxymilbemycin A4
Peak:m/z	Relative Intensity
55.03842	1.5
57.03448	1.6
59.01377	21.4
61.98831	17.7
66.57710	1.1
69.38771	10.2
69.39188	2.7
71.01389	7.7
73.02964	6.6
78.95907	1.6
79.95779	1.7
80.96509	2.6
83.01379	1.9
85.02962	2.9
88.98822	2.5
89.02460	3.7
96.96022	35.3
96.96611	2.2
98.19921	2.1
99.00871	1.9
101.02448	6.4
102.94763	1.2
110.48125	1.2
113.02464	5.0
116.92850	1.7
118.07761	1.3
118.94232	7.3
119.03525	1.6
125.02548	1.8
126.62773	1.1
127.00380	1.8
128.03569	1.7
161.04535	2.7
162.70404	1.0
162.96887	2.0
178.96385	1.9
179.05669	1.4
189.00447	2.8
190.96265	6.6
191.05539	2.0
203.07120	1.8
227.76041	1.4
232.97342	1.9
419.50845	1.3
471.12952	8.9
471.18802	2.0
513.14148	6.2
513.20776	2.5
514.14813	2.6
521.33289	20.4
522.33612	3.3
557.31018	100.0
558.31201	18.9
564.66754	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	557.3212
Annotation	Unknow
Peak:m/z	Relative Intensity
55.47443	0.1
59.01378	0.5
61.98829	100.0
62.98530	0.2
69.50127	0.5
69.50546	0.1
76.21023	0.1
78.95912	0.6
80.96487	0.1
82.96081	0.1
93.59760	0.1
116.92870	0.4
152.99640	0.3
155.61075	0.1
162.84180	0.1
197.53705	0.1
224.07007	0.1
255.23268	1.8
255.25900	0.1
256.23651	0.8
257.23880	0.5
258.24182	0.3
265.29608	0.1
409.23706	0.1
480.30988	1.1
481.31400	0.4
482.25635	0.1
482.31241	0.3
483.31787	0.8
534.87146	0.1
557.31378	0.3
558.31915	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	557.1883
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87431	0.3
53.92076	0.3
55.05919	0.3
57.03431	0.6
59.01374	7.5
61.98571	0.3
61.98834	2.9
71.01383	4.9
71.69888	0.6
72.99316	0.3
73.02930	1.5
75.00906	0.3
80.61087	0.3
83.01396	0.6
83.04955	0.3
85.02941	0.9
87.00890	0.6
88.78113	0.4
88.98814	1.3
89.02451	6.4
89.40267	0.3
96.96034	2.1
97.03011	0.4
97.37988	0.3
98.95612	0.6
99.00890	1.1
101.02464	2.1
101.91076	0.3
113.02453	0.9
115.04053	0.4
115.92092	0.4
116.92883	1.7
119.03560	0.5
125.02470	3.4
127.00348	0.5
130.04227	0.7
131.03502	1.0
132.00775	0.3
145.02985	0.4
146.03754	1.0
149.04588	2.0
160.01662	6.3
161.02377	0.6
171.10245	0.5
174.03233	11.7
174.04747	0.6
175.03558	0.6
189.00400	0.6
191.05624	1.2
203.07144	100.0
204.07489	6.7
211.13297	0.4
225.09567	0.3
228.99420	0.3
229.14574	0.3
233.06685	2.6
293.08783	8.9
294.09100	0.6
329.23584	0.5
471.17398	0.3
513.18872	0.4
521.33032	2.0
557.18530	0.6
557.30804	8.8
558.30969	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.285
Annotation	Chaetoglobosin M
Peak:m/z	Relative Intensity
52.66944	0.2
55.38022	0.2
59.01369	0.8
59.98911	0.2
61.98828	0.5
63.96235	0.9
69.03451	0.6
69.68836	0.2
71.01385	6.1
71.05803	0.4
72.99306	0.3
73.02952	1.7
76.87058	0.2
78.17431	0.2
78.98595	4.9
79.95740	7.6
80.96523	57.8
81.03458	0.8
81.96487	0.3
83.01424	0.3
85.02962	2.8
87.00881	2.8
88.42941	0.2
94.98094	14.0
95.01400	0.3
96.96019	0.5
97.02970	1.3
99.00883	0.3
101.02445	2.4
106.98104	3.0
110.22524	0.2
122.97604	2.4
125.02462	2.5
127.04002	0.7
134.97598	4.2
136.99176	1.3
148.99159	5.0
152.98653	4.6
159.98064	0.2
164.98639	10.3
167.00206	0.5
188.98764	0.5
206.99683	2.4
225.00739	14.6
226.01051	0.5
255.23244	1.9
299.04413	2.6
386.86713	0.3
416.51309	0.2
459.19415	0.2
555.28473	100.0
556.28821	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	557.1338
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44728	0.2
55.02870	0.2
56.53405	0.2
56.70904	0.2
57.03450	0.4
58.00567	0.2
59.01376	8.8
60.01711	0.7
61.98829	2.5
62.31019	0.2
68.45866	0.2
68.85624	0.2
71.01372	1.4
71.28140	0.2
71.71210	0.2
73.02950	0.6
78.95896	0.3
83.01395	0.4
85.02953	0.3
87.00924	0.2
88.98817	0.2
89.02455	0.3
96.73956	0.2
96.96014	5.9
96.96972	0.4
98.95607	2.9
98.96355	0.4
99.00880	1.7
99.92591	14.9
100.92609	0.9
100.93376	1.2
101.02454	0.6
103.00404	0.4
108.99617	0.2
113.02457	0.3
114.94926	0.3
115.92088	24.9
116.92869	100.0
117.92892	5.4
117.93621	0.3
127.00355	0.4
140.92894	0.5
141.93613	0.5
142.94426	1.0
146.43629	0.2
146.50397	0.2
156.92374	0.5
157.93118	0.2
158.93912	0.8
159.96538	0.4
163.80174	0.2
167.95265	0.2
169.93297	0.2
170.93896	0.2
173.92625	0.2
174.93387	0.6
182.93880	0.3
183.94708	0.5
184.91838	2.3
184.95537	0.4
185.92155	0.2
186.93416	0.4
189.00420	0.7
196.95496	0.5
197.61971	0.2
209.15492	0.4
242.95895	0.3
259.96207	0.8
293.08551	0.4
316.02432	0.3
325.07297	0.3
328.00677	0.2
345.96368	0.6
435.10944	1.0
436.05344	0.2
436.11511	0.2
453.12222	3.4
454.12427	0.5
471.13220	3.3
472.13873	0.4
483.13290	0.5
495.13211	1.8
496.13586	0.3
513.14325	6.6
514.14563	1.3
521.11157	1.2
521.33008	0.5
522.11462	0.4
557.13300	27.5
557.30811	2.5
558.13599	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	554.3467
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69327	0.1
59.01376	24.1
59.32943	0.1
60.01701	0.2
61.98820	0.4
68.99578	0.1
69.41676	0.1
71.01379	0.3
71.05769	0.1
71.06081	0.3
78.95906	18.6
78.98604	0.2
79.95729	0.2
80.96517	2.3
86.09876	0.2
94.98083	0.5
96.96970	0.4
99.00915	0.1
106.98092	0.1
122.97601	0.2
122.98557	0.5
125.02406	0.2
134.61217	0.1
134.97606	0.2
148.99219	0.2
152.98482	0.2
152.99609	3.2
164.98615	0.7
168.04327	3.3
202.80424	0.1
224.06926	8.3
225.00688	0.8
225.07281	0.4
242.08025	1.5
255.23270	100.0
256.23615	9.7
391.22244	0.2
480.30905	66.7
481.31262	10.8
495.27286	0.3
555.28442	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	555.2084
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
60.01708	1.2
60.37076	0.2
61.98837	2.4
62.70882	0.2
66.90281	0.2
69.41140	1.7
69.41553	0.4
71.01392	1.5
73.02946	0.7
75.61452	0.2
77.07516	0.2
78.95912	1.8
79.95749	0.5
83.01392	0.4
84.10985	0.2
85.02969	0.6
87.00935	0.2
88.98837	0.2
89.02457	0.5
96.96021	26.4
96.96930	2.7
97.93164	0.2
99.00882	0.3
101.02460	1.3
113.02459	0.6
113.92630	0.6
114.93419	2.8
120.01261	0.2
125.02511	0.2
127.26557	0.2
149.02390	0.4
150.03203	0.5
156.99091	0.4
161.04562	0.4
165.05501	0.3
179.05684	0.2
194.51724	0.2
273.11353	0.5
305.21555	0.2
329.13922	0.3
333.20581	0.4
351.21521	0.2
353.19324	0.3
371.20892	0.6
372.20734	0.3
413.21817	1.1
469.17236	0.8
492.31644	0.5
495.18369	1.0
507.19983	0.6
511.17935	0.4
555.15222	0.6
555.28632	1.7
556.29126	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2849
Annotation	Chaetoglobosin M
Peak:m/z	Relative Intensity
59.01345	0.4
63.96230	0.8
69.03451	0.6
71.00796	0.7
71.01382	5.6
73.02951	1.4
78.98595	4.1
79.95737	7.2
79.97181	0.2
80.96520	55.6
81.03466	0.9
83.01414	0.3
85.02961	2.3
87.00891	2.1
94.98093	13.1
95.01392	0.4
95.29857	0.3
95.74623	0.2
96.96004	1.0
97.02970	1.4
99.00888	0.4
99.04477	0.2
101.02452	2.3
106.98083	3.0
113.02503	0.5
122.97600	4.2
125.02466	3.3
127.04017	0.8
134.97600	3.7
136.99146	0.9
143.71382	0.3
146.97543	0.3
148.99159	5.7
152.98642	6.8
155.00241	0.3
164.98645	11.0
165.99023	0.2
166.56834	0.2
167.00096	0.3
182.99661	2.1
185.76776	0.3
188.98630	0.5
206.99698	3.4
208.58545	0.2
214.59283	0.3
225.00737	18.9
226.01108	0.7
243.01732	2.0
255.23279	2.6
296.36987	0.2
299.04410	2.8
447.81876	0.3
555.28467	100.0
556.28778	15.9
556.37598	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.1589
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	0.5
57.98849	0.3
59.01109	0.4
59.01381	5.4
61.98534	0.4
61.98830	4.8
61.99347	0.3
63.83313	0.3
70.79177	0.5
70.79533	0.6
71.01381	1.7
73.02946	0.8
73.24610	0.2
75.00885	0.5
78.95884	1.7
79.95741	7.3
80.96522	0.9
81.03417	0.4
83.01379	0.6
85.02950	0.7
87.00876	0.5
88.98819	0.3
89.02457	0.9
95.95237	0.9
96.96020	100.0
97.95966	0.4
99.00870	0.6
101.02453	1.4
103.00396	0.8
113.02457	0.9
123.04543	0.8
127.00414	0.5
138.97095	0.7
150.03239	0.4
150.97014	0.4
152.99599	1.0
155.10727	0.4
161.04614	0.2
164.98643	0.4
165.05608	1.2
171.00656	0.5
191.05617	0.5
195.06535	0.4
209.11890	1.3
225.00681	0.8
227.03343	0.3
241.00305	1.0
256.99689	3.0
267.01776	0.3
297.06506	0.4
299.00790	2.3
321.40460	0.3
325.20251	0.5
449.14755	1.4
450.14926	0.4
467.15903	54.2
468.16232	6.5
471.24942	0.3
505.18546	0.6
509.16931	54.8
510.17310	7.5
535.14807	1.0
553.15930	37.3
553.23859	2.2
554.16223	5.4
554.24152	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.3375
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
60.01710	0.9
61.98828	0.9
71.01406	0.4
71.26660	0.5
77.16155	0.2
78.95913	0.3
89.02473	0.3
96.39044	0.2
113.59901	0.2
146.70071	0.2
149.87929	0.2
152.99666	0.3
200.71483	0.3
249.18637	3.0
250.18971	0.4
252.02982	0.3
281.24799	0.6
426.03754	0.2
553.31451	0.6
577.98566	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.3025
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	1.0
59.81218	0.1
61.18562	0.1
61.98829	0.4
65.59143	0.1
70.56712	0.3
70.57108	0.3
77.98054	0.1
78.95911	6.3
80.06214	0.1
105.58086	0.2
152.99611	1.1
155.25879	0.2
168.04338	1.5
169.04576	0.2
178.53738	0.1
196.98921	0.1
224.06969	1.1
242.08002	2.9
243.08179	0.2
261.22241	0.5
273.42715	0.2
277.22202	0.2
279.23285	100.0
280.23639	11.9
284.33292	0.1
295.11026	0.1
383.37286	0.1
504.30942	40.6
505.31287	7.1
554.27509	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.3024
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21802	0.2
53.73254	0.2
56.55215	0.2
59.01375	1.4
61.98829	6.5
63.18053	0.2
70.23021	0.8
73.02925	0.3
77.06208	0.2
78.95910	24.8
80.96514	0.9
96.96954	0.3
97.44311	0.2
105.23152	0.2
110.34528	0.2
122.98504	0.3
134.98598	0.3
152.99606	3.6
168.04318	3.7
169.51901	0.2
170.51512	0.2
216.15251	0.2
224.06943	9.7
242.07991	2.9
243.08177	0.3
261.22290	0.6
279.23282	100.0
280.23648	11.9
480.29611	0.3
504.30930	73.8
505.31259	14.1
539.18890	0.2
554.27399	1.5
555.27063	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.3482
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	17.9
60.41321	0.1
61.98830	7.2
63.99251	0.7
67.99007	0.1
68.99567	0.3
71.01376	0.4
71.70550	0.3
73.47607	0.2
78.95910	5.4
80.96511	0.5
112.98608	0.3
114.93474	0.3
115.00392	0.8
127.00381	0.3
152.99622	0.9
168.04332	1.2
187.19456	0.1
224.06966	0.9
242.07947	1.8
255.23276	100.0
256.23621	9.7
279.23459	0.4
436.21786	0.2
480.30942	36.2
481.31311	5.8
504.30692	0.3
554.27161	0.7
555.27094	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.1584
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83418	0.3
55.01885	0.7
57.03450	12.5
58.03796	0.4
59.01379	26.4
70.58757	1.4
71.01382	6.1
73.02946	1.9
79.95737	3.4
80.96525	1.5
81.03477	0.7
83.01395	0.9
85.02956	2.4
89.02458	1.1
95.01415	0.5
96.96021	100.0
99.00893	1.0
99.04530	16.1
100.04850	0.5
101.02457	5.4
103.00376	0.7
113.02456	1.9
116.62495	0.3
125.02459	7.8
138.97104	0.8
143.03520	0.6
147.04559	0.4
161.04597	1.8
164.98648	0.9
173.06084	1.6
180.24028	0.4
187.04163	0.7
188.04762	0.6
195.13834	0.4
203.05527	0.8
203.07158	5.4
203.08937	0.6
204.07518	0.4
241.00189	1.4
255.06573	0.3
270.08939	0.4
299.00668	0.4
337.10663	0.4
409.11438	2.4
410.11813	0.6
422.67352	0.3
443.54767	0.3
449.15088	1.3
451.12500	1.8
452.12778	0.5
467.15900	58.7
468.16345	6.7
491.15622	0.7
509.16953	60.5
510.17340	8.6
535.14984	1.0
553.15881	49.5
554.16333	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	553.1591
Annotation	Unknow
Peak:m/z	Relative Intensity
54.69055	0.2
55.82867	0.3
57.03436	0.3
59.01378	7.8
61.98826	0.6
71.01355	2.1
73.02953	0.4
79.95287	0.5
79.95747	6.4
80.77470	0.2
80.91679	0.8
80.96529	1.1
83.01345	0.3
85.02967	0.6
89.02467	0.8
95.95259	0.6
96.96025	100.0
98.95628	0.4
101.02456	1.0
103.00381	1.1
113.02485	0.6
119.03526	0.4
138.97125	0.7
164.98665	0.7
194.96834	0.3
195.13928	0.4
225.00644	0.4
225.15019	0.5
241.00291	1.0
245.80814	0.3
256.99759	2.0
297.06500	0.4
299.00748	1.5
449.14777	1.1
467.15930	49.1
468.16248	6.6
481.85760	0.4
509.16965	53.4
510.17276	7.1
535.15155	0.6
553.15918	37.8
553.32465	1.1
554.07672	0.4
554.16327	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.1592
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01895	0.5
57.03438	0.8
59.01105	0.8
59.01379	11.9
60.99296	0.6
61.98829	5.9
64.16977	0.4
69.03452	0.5
71.01379	5.8
72.99281	0.8
73.02960	2.1
75.00896	0.6
78.95913	1.4
79.36577	0.5
79.95744	5.9
80.96522	1.3
83.01385	1.3
85.02956	1.8
87.00876	0.6
88.98812	3.1
89.02454	2.1
95.95239	0.8
96.96022	100.0
98.19844	0.7
98.95621	0.8
99.00931	1.3
101.02442	4.2
103.00389	1.3
113.02448	2.0
114.93452	0.6
116.92877	4.1
119.03552	0.7
122.06155	1.0
122.73408	0.5
123.08190	0.7
127.00389	1.0
134.03676	0.7
135.04532	0.8
149.04538	0.5
152.07211	1.0
152.99597	0.8
161.04604	1.2
164.98677	0.6
173.04526	0.9
179.03680	0.5
179.05594	0.8
186.49730	0.5
189.00462	1.1
191.05611	1.5
241.00249	1.1
256.99789	1.4
281.09375	0.9
289.17957	0.6
299.00705	0.7
327.13559	0.6
373.19174	0.5
409.11917	0.8
434.20358	0.6
438.66238	0.5
449.14914	1.3
451.12653	0.6
463.25327	0.8
465.13983	0.5
467.15939	55.1
468.16251	5.7
493.30194	1.5
509.16959	55.3
510.17273	7.6
522.18628	0.6
523.19971	0.8
535.15448	0.6
552.30975	1.3
553.15936	41.4
553.23816	2.6
554.16345	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	552.3021
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64630	0.1
51.51989	0.1
57.50189	0.1
59.01375	1.1
61.98830	100.0
62.15194	0.1
62.98535	0.2
70.85617	0.2
70.85972	0.3
71.01396	0.1
73.02954	0.1
78.95905	1.7
78.96330	0.1
79.95741	0.1
80.96516	0.9
94.98106	0.3
98.19919	0.1
118.38719	0.1
152.99634	0.6
164.98677	0.1
168.04350	0.4
196.89644	0.1
224.06947	0.1
225.00871	0.2
242.07967	1.8
253.21796	1.2
254.22058	0.7
255.22919	0.5
256.22659	0.2
279.23380	0.4
280.23672	0.6
478.29434	1.6
478.35815	0.1
479.29831	0.2
552.20514	0.1
552.30542	0.4
553.26843	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	553.1588
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	9.9
59.30796	0.4
61.98824	2.5
71.01380	2.7
71.04040	0.8
71.04403	1.0
72.99301	0.5
73.02923	1.4
75.00904	0.5
79.95747	5.4
80.96506	1.6
85.02943	1.1
87.00851	0.4
88.98810	1.2
89.02448	1.3
95.95247	0.7
96.96017	100.0
98.95581	0.6
99.00872	0.6
101.02431	1.6
103.00370	1.6
108.99747	0.4
113.02444	1.1
119.03520	0.5
138.97134	0.5
146.27640	0.5
164.98659	0.6
177.42989	0.5
225.00778	0.5
241.00136	1.7
256.99683	1.8
297.06339	0.5
299.00800	1.2
321.56277	0.5
385.18686	0.5
386.18842	0.7
391.17383	0.5
446.21091	1.4
449.14758	1.2
467.15903	56.7
468.16306	7.1
509.16919	56.7
510.17273	8.3
510.24573	0.3
534.50751	0.4
535.14929	1.1
553.15869	46.1
553.32056	1.4
554.16461	7.2
560.94843	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.2854
Annotation	Unknow
Peak:m/z	Relative Intensity
55.46196	0.2
55.51635	0.2
57.03440	0.2
59.01376	2.0
61.98838	1.0
66.28133	0.2
66.35922	0.2
70.24860	0.7
70.25282	0.3
71.01360	0.4
78.72322	0.2
78.95911	7.9
79.13885	0.2
80.96536	0.5
83.05032	0.4
84.71523	0.2
90.90528	0.2
96.48188	0.2
98.20589	0.3
99.92558	0.2
116.92834	0.2
127.07613	0.2
138.99228	0.2
152.99596	1.3
168.04321	1.8
224.06935	1.2
233.22807	0.4
242.08015	3.5
259.20639	0.7
266.40109	0.2
275.20050	0.3
277.21710	100.0
278.22058	10.7
324.92715	0.2
331.22684	0.5
357.08939	0.3
502.29367	44.2
503.29724	7.9
552.25922	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.2856
Annotation	Unknow
Peak:m/z	Relative Intensity
56.03181	0.4
59.01378	3.4
61.98822	1.9
70.79337	1.6
72.71705	0.4
73.08342	0.5
78.95908	30.8
79.78445	0.5
81.63286	0.4
89.22417	0.4
96.96954	0.8
97.43820	0.4
98.20609	0.5
134.98523	0.5
152.99577	4.6
168.04330	4.7
200.37219	0.4
224.06917	11.9
225.07196	0.5
242.08002	2.4
253.19220	0.7
253.21719	9.2
254.22131	0.9
259.20529	0.9
275.19949	0.6
277.21704	100.0
278.22040	10.6
478.29285	3.1
479.29147	0.9
502.29358	98.4
503.29672	16.7
552.25818	0.8
577.77673	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.3429
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88767	0.2
59.01377	15.4
60.01709	0.2
61.98829	0.2
71.01378	2.5
71.62051	0.2
73.02946	1.0
83.01420	0.2
85.02946	0.5
87.00875	0.5
89.02450	2.5
95.01392	0.2
95.02151	0.1
97.02986	0.2
99.00896	0.3
101.02457	2.8
113.02457	1.2
115.04016	0.2
119.03517	0.9
131.03426	0.2
131.68929	0.2
133.05103	0.2
143.03470	0.2
147.25024	0.2
157.05092	0.3
159.19376	0.1
161.04559	1.3
166.41443	0.2
179.05693	0.4
235.08212	2.7
236.08617	0.2
253.09271	12.5
254.09506	0.8
255.23271	100.0
256.23611	10.2
256.26355	0.4
265.08325	0.2
329.33154	0.2
491.32260	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.0809
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	4.7
61.15899	0.4
61.98830	3.6
70.28535	0.4
71.01388	0.7
71.69755	0.8
73.02927	0.4
78.95901	1.3
79.95757	3.6
80.96532	2.8
85.02946	0.4
87.00884	1.5
88.98798	0.5
93.03462	0.6
95.95245	1.5
96.96021	100.0
101.02469	0.6
103.04195	0.4
113.02502	0.4
132.20856	0.4
138.97087	1.9
152.99632	0.8
166.96611	0.8
191.05676	1.2
208.07512	0.4
241.00237	7.0
268.01208	0.7
276.38379	0.5
283.01279	1.2
296.50607	0.4
319.22620	0.5
465.11929	0.5
466.08099	28.4
467.08337	4.0
508.09146	35.0
509.09677	5.8
534.06793	0.5
551.30560	0.8
552.08093	10.3
553.08307	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	1.2
59.89057	0.7
61.98824	4.1
68.64387	0.6
71.72552	1.3
79.95723	1.0
89.03976	1.8
93.03457	2.6
94.04331	0.6
96.96017	13.4
105.03468	1.5
109.02959	1.1
117.03474	5.9
119.05051	6.7
121.02950	4.1
122.03754	6.6
123.00931	0.8
127.96995	0.7
132.02211	3.2
133.02051	1.2
133.02983	12.8
134.03755	72.7
135.04126	2.7
136.01677	8.0
137.02473	3.6
147.04556	7.8
149.02475	11.3
149.06070	5.5
150.03250	45.7
151.03854	2.8
153.05595	3.8
160.01657	1.7
163.03943	0.7
164.04814	2.2
165.05592	43.3
166.05939	2.6
174.48988	0.6
175.04041	3.0
177.01938	1.6
178.02728	2.1
179.03426	1.2
180.04353	3.3
182.34830	0.6
189.00479	0.7
191.05617	1.1
192.04306	11.1
193.05078	100.0
194.05399	5.8
194.90001	0.7
195.06651	22.3
196.06909	1.5
207.06622	1.7
219.71240	0.9
241.00294	0.9
419.15131	1.4
455.39542	0.8
459.18390	1.6
466.08136	3.5
503.17099	40.4
504.17413	9.0
508.09082	6.1
533.18237	1.2
551.18903	8.4
552.08258	1.6
552.19440	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
57.14113	0.4
59.01386	3.3
61.98830	6.1
71.01387	0.7
73.02951	0.5
73.58966	0.4
77.43204	0.5
78.95928	0.8
80.05125	0.5
83.01384	0.6
89.03996	0.5
93.03443	0.9
96.96023	6.6
101.49696	0.5
106.62614	0.4
114.32055	0.5
117.03477	2.0
121.02975	2.8
132.02174	3.3
133.02959	1.9
134.03758	65.4
134.52698	0.5
135.04198	2.1
136.01682	0.8
137.02464	5.7
139.04019	2.1
140.17978	0.5
146.03751	12.9
147.04312	0.8
149.06104	22.4
150.03236	1.9
150.06516	0.8
151.03961	1.1
151.07555	0.5
160.01660	10.4
161.02368	0.5
161.06094	3.0
162.03247	1.8
164.04808	8.2
165.02100	0.5
175.04013	9.8
176.04509	0.8
177.05580	1.5
178.02721	25.8
179.03128	1.6
179.07143	10.9
180.07611	0.7
191.05606	0.8
191.07188	0.9
192.04184	0.6
193.05067	100.0
194.05403	5.4
327.12378	0.6
342.78619	0.5
361.24323	0.5
371.11285	2.3
398.39008	0.4
448.23578	0.7
465.14398	1.9
507.15659	1.3
508.15836	0.5
551.19189	21.2
552.19324	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	551.2985
Annotation	Unknow
Peak:m/z	Relative Intensity
58.53752	1.2
61.98830	29.7
71.67145	1.6
71.67561	2.2
78.95910	42.2
96.96019	2.0
96.96969	5.9
102.71105	1.4
112.05791	1.3
114.79012	1.6
152.99596	56.6
171.00667	1.7
192.67505	1.7
197.02214	15.9
242.13702	1.4
251.91641	1.4
271.05826	11.8
279.23276	100.0
280.23645	11.4
360.88647	1.4
551.29871	75.0
552.21167	3.3
552.30298	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	551.343
Annotation	Unknow
Peak:m/z	Relative Intensity
55.88901	0.2
59.01376	14.7
61.98822	0.4
65.27665	0.2
71.01386	3.1
71.22916	0.7
71.43230	0.2
73.02948	1.1
78.95899	0.5
83.01401	0.3
85.02961	0.8
87.00862	0.3
89.02456	2.6
97.90401	0.2
101.02450	3.5
102.20380	0.2
103.04030	0.4
110.37640	0.2
112.55103	0.2
113.02441	1.4
115.04025	0.3
119.03513	0.7
126.82942	0.2
127.68688	0.2
133.05074	0.4
135.52902	0.2
141.74777	0.2
143.03540	0.4
161.04599	1.4
175.13483	0.3
179.05617	0.4
223.20622	0.7
230.42174	0.3
235.08211	2.8
253.09291	13.5
254.09607	0.8
255.23273	100.0
256.23636	10.7
329.24869	1.0
464.26428	0.3
491.31985	0.9
507.37119	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1826
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.1
57.03448	7.1
59.01372	6.6
61.98829	12.5
71.01387	5.6
71.70522	1.0
72.99302	1.1
73.02949	1.2
75.00900	0.6
78.95902	1.2
83.01406	2.5
84.02161	2.0
85.02958	17.3
86.03256	0.6
87.00883	16.0
89.02454	4.8
96.96010	0.5
97.02957	0.7
99.00896	1.5
101.02468	2.9
108.90202	6.1
109.74464	0.5
110.89899	3.3
110.98577	0.9
111.00895	2.1
113.02458	1.3
115.00381	1.8
119.03552	1.2
123.92756	0.5
129.01956	15.6
133.01442	5.4
135.03055	0.9
135.92111	12.4
141.01955	1.4
147.03041	4.4
148.04034	0.8
150.95796	0.5
159.03032	4.0
166.05101	2.1
179.05661	1.8
180.65259	0.5
191.02016	7.7
192.02280	0.6
208.84846	5.0
208.94420	1.7
209.06674	100.0
209.85471	2.7
210.03970	1.9
210.07033	4.3
222.58698	0.5
341.10767	4.8
342.11328	0.8
344.45578	0.5
377.08456	1.1
553.89850	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1766
Annotation	Lactucaside
Peak:m/z	Relative Intensity
50.31390	0.5
53.22778	0.5
59.01387	2.6
61.98829	2.2
69.71468	1.2
69.71886	2.0
70.38660	0.4
71.01369	2.4
72.99308	0.4
73.02929	0.8
83.01419	0.5
85.02989	0.8
87.00912	0.7
89.02450	1.3
93.03474	1.6
93.88979	0.4
95.01391	0.7
96.96029	2.2
99.00923	0.9
101.02460	2.0
105.03489	0.6
106.04285	0.5
108.02213	0.4
111.00887	1.2
113.02472	2.7
114.56062	0.4
116.65636	0.4
117.03507	0.6
119.05059	1.4
121.02980	7.0
122.03783	3.8
123.04554	7.2
127.00473	0.5
128.03551	0.9
129.20436	0.4
129.22662	0.5
130.12856	0.5
132.02206	0.9
133.02977	4.2
134.03760	85.5
135.04472	4.5
136.01678	2.1
136.04912	0.5
137.02466	11.2
139.04042	3.6
147.04573	3.1
148.01636	0.8
148.05304	0.7
149.02467	15.7
149.06104	24.7
150.03256	36.4
150.06442	1.0
151.04036	28.8
152.04382	1.6
153.05656	0.6
158.22649	0.5
160.01715	2.5
161.04601	1.2
163.03986	0.8
164.04823	3.3
165.05586	38.0
166.05937	1.7
175.04091	2.5
176.04805	4.0
177.01955	1.5
178.02730	42.6
179.03096	2.1
179.05592	1.0
180.04253	2.9
181.05070	17.0
182.05452	0.6
191.05713	0.6
191.07199	4.0
192.04236	3.0
193.05072	91.6
194.05435	5.7
195.06642	11.0
196.07079	0.6
207.06613	1.8
209.04570	0.8
212.81337	0.5
217.05057	0.9
220.03778	0.5
235.06107	15.6
239.07101	1.1
251.06995	0.5
253.09111	0.8
267.06577	2.8
282.08987	7.7
283.09476	0.6
289.49695	0.5
297.07959	0.8
297.11328	2.1
297.99338	0.5
315.18198	1.5
316.14178	0.5
341.10315	19.1
342.10638	2.4
355.11646	0.9
371.11353	0.6
383.11151	2.6
384.12003	0.7
389.12430	100.0
390.12784	12.8
431.13568	5.0
465.13950	0.6
507.15668	0.6
551.17657	24.5
552.18085	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	551.1767
Annotation	Methylgrandifloroside
Peak:m/z	Relative Intensity
53.25262	0.4
56.43713	0.4
57.03428	0.4
59.01374	2.3
61.98826	4.5
69.44876	0.4
69.45189	3.5
71.01382	1.7
73.02962	0.6
74.02499	0.5
78.95898	0.6
85.02962	0.9
87.00896	0.9
88.98808	0.6
89.02452	0.5
93.03465	1.5
96.96017	2.0
99.00854	0.5
101.02466	0.8
106.04298	0.4
111.00878	0.6
113.02472	1.1
115.00340	0.5
116.92883	1.1
117.03493	0.5
119.05124	0.6
121.02970	9.2
122.03788	2.9
122.04520	0.5
123.04550	1.2
127.00410	0.6
132.02148	0.5
133.02974	1.9
134.03763	47.6
135.04456	1.8
136.01663	0.6
137.02470	7.6
138.32877	0.4
139.04054	2.2
147.04607	0.9
148.01598	0.6
149.02475	14.0
149.04944	0.4
149.06105	14.7
150.03252	33.2
150.06497	0.8
151.04060	3.7
160.01688	0.7
160.99556	0.4
161.04568	0.4
163.04124	0.6
164.04840	2.8
165.05594	34.3
166.05919	2.6
172.13716	0.4
175.04036	0.8
176.04807	0.7
177.01939	1.1
178.02737	29.3
179.03117	1.8
179.94960	0.4
180.04327	2.3
181.05096	1.9
181.08794	0.4
189.00415	0.7
191.07164	0.4
193.05075	100.0
194.05428	5.8
195.06645	24.7
196.06955	1.4
205.06642	0.5
221.06088	0.6
233.06018	0.7
234.06905	0.5
235.06035	3.3
239.07178	1.2
250.06369	2.5
251.06927	0.6
253.08824	0.7
267.06665	1.8
282.09000	7.1
297.11194	1.1
326.07996	0.5
341.10306	28.2
342.10617	3.0
345.13293	0.6
371.11383	0.8
389.12411	37.6
390.12790	4.9
431.13605	0.8
465.14597	0.5
507.15707	0.6
551.17792	4.4
552.17633	0.5
567.35559	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.364
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	0.8
57.03452	2.2
58.11364	0.5
59.01381	100.0
60.01714	1.7
61.98837	5.0
71.01388	12.8
71.57901	0.4
72.99324	0.7
73.02956	4.8
74.02495	0.6
75.00877	0.4
78.95925	0.7
81.31787	0.4
83.01411	3.2
84.86783	0.4
85.02964	8.1
86.03322	0.5
87.00909	0.9
88.98827	1.9
89.02465	1.2
90.19038	0.4
95.01422	1.8
96.96025	2.3
97.02995	1.3
99.00911	1.9
99.92619	0.9
101.02464	6.8
108.02168	0.6
111.00931	1.0
112.20557	0.4
113.02469	10.1
114.02827	0.6
115.04031	0.8
115.92080	2.1
116.92921	0.7
125.02489	1.8
127.00430	1.6
133.03073	0.5
135.04585	1.0
143.03552	4.7
157.12393	0.6
159.03011	0.7
161.04597	2.1
163.13383	0.4
179.03569	0.6
188.63159	0.4
189.00468	1.4
191.05701	0.8
217.96750	0.5
239.20149	0.4
243.06659	2.5
261.95822	1.0
299.25955	2.2
345.30087	7.9
346.30539	0.7
387.31052	1.0
389.96005	0.4
390.00824	1.5
405.12042	0.8
441.31967	0.5
459.33548	0.8
463.09213	0.4
489.34308	40.0
490.34653	7.4
507.35358	19.4
508.35593	3.0
549.36285	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.2865
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	0.2
60.01700	0.1
61.98830	100.0
62.98528	0.2
70.23976	0.4
74.65353	0.1
76.99751	0.1
89.24113	0.1
108.11244	0.1
127.00458	0.1
127.46562	0.1
128.05447	0.1
132.93625	0.1
147.16489	0.1
190.92731	0.1
251.20134	0.4
252.20534	0.6
253.20862	0.3
254.21188	0.3
370.33444	0.1
382.22272	0.1
506.45978	0.1
551.24915	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	550.2862
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28784	0.1
57.57990	0.1
59.01375	0.3
61.98830	100.0
62.98540	0.2
71.22221	0.2
73.91216	0.1
78.95914	0.2
83.01436	0.1
83.10144	0.1
99.00896	0.1
122.90174	0.1
127.00456	0.2
150.56573	0.1
152.99654	0.1
165.84016	0.1
189.00446	0.3
251.20113	0.3
252.20561	0.7
253.20958	0.3
254.21014	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.3163
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25402	0.1
61.98830	100.0
62.98526	0.2
62.99276	0.1
67.85214	0.1
71.67266	0.2
78.95911	1.6
79.28451	0.1
96.96961	0.2
120.57846	0.1
152.99600	2.0
191.05623	0.2
197.02208	0.7
197.85730	0.1
231.24141	0.1
255.23116	0.1
271.05966	0.5
277.12292	0.1
279.23294	4.2
288.34940	0.1
393.66116	0.1
526.80566	0.1
551.29773	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1445
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	0.3
57.59857	0.2
59.01373	5.9
61.98836	0.8
65.25826	0.2
69.78508	1.4
71.01385	1.8
72.99293	0.4
73.02949	0.9
79.95736	2.7
80.96540	1.2
83.01387	0.2
85.02953	0.8
86.67472	0.2
87.00883	0.5
89.02458	0.7
95.95250	1.3
96.96020	100.0
99.92609	0.2
101.02442	0.9
103.00380	0.9
113.02441	0.7
116.92908	1.2
119.03526	0.3
125.02425	0.3
128.03517	0.2
138.97153	0.5
143.04631	0.4
151.00378	0.2
152.04752	0.2
152.08376	0.3
153.09229	0.6
161.04552	0.2
164.98640	0.4
175.04039	0.5
180.04196	0.3
190.06415	0.6
191.07106	0.4
192.22928	0.2
193.05008	0.3
205.08652	0.4
205.12346	0.7
208.07448	0.3
230.02190	0.6
241.00203	1.5
256.99744	2.1
259.01398	0.4
271.02441	0.3
285.02966	0.3
299.00812	1.6
300.02811	0.5
301.03058	0.4
302.03464	0.4
307.08008	0.4
342.99536	0.3
359.15027	3.0
360.15628	0.3
447.13391	0.9
447.26077	0.4
463.10880	0.2
465.14337	40.6
466.14645	5.6
488.21979	0.7
507.15411	47.4
508.08688	0.4
508.15759	7.3
533.13373	0.8
551.14325	35.8
551.31018	0.7
552.14636	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	551.1433
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23671	0.3
59.01380	5.9
69.55117	1.6
69.55529	0.4
71.01393	1.9
73.02956	1.2
73.71450	0.2
78.23711	0.3
79.95741	3.2
80.96528	1.1
85.02955	0.9
88.98807	0.2
89.02455	0.5
92.33081	0.2
95.95243	1.5
96.96019	100.0
97.95955	0.5
98.20640	0.5
101.02455	1.2
103.00388	0.9
103.08932	0.2
113.02477	0.3
119.03503	0.3
124.15825	0.2
136.05226	0.3
138.06973	0.3
138.97047	0.9
141.19894	0.3
141.89256	0.2
153.09224	0.7
164.98679	0.4
169.66640	0.2
201.72090	0.3
205.12364	0.7
225.00740	0.3
241.00156	1.2
256.99744	1.2
299.00745	1.0
314.09528	0.2
407.69516	0.3
447.13419	0.8
448.13321	0.3
460.06223	0.3
465.14331	47.2
466.14664	6.8
507.15390	56.0
508.15656	7.9
533.13300	1.0
551.14325	40.3
551.30927	1.1
552.14612	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	549.327
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	10.4
61.98829	7.0
63.23855	0.3
69.26136	0.3
71.01382	2.3
71.72709	0.5
73.02945	0.6
78.95893	0.8
85.02962	0.5
87.00896	0.4
89.02448	2.0
96.96014	3.5
99.00892	0.4
101.02454	2.5
113.02457	0.7
116.92891	0.3
119.03525	0.4
133.05013	0.5
152.99655	0.7
161.04597	1.0
177.01956	0.6
179.05630	0.7
191.05684	0.4
235.08237	2.2
253.06644	0.7
253.09300	11.0
253.21713	100.0
254.09566	0.5
254.22038	10.1
255.23280	2.9
452.27612	1.6
489.30716	0.5
500.57941	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2907
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.5
57.03445	0.7
58.00591	0.7
59.01377	70.3
60.01718	0.8
60.99311	0.2
61.98819	0.4
69.03456	0.8
69.50911	0.5
69.51344	0.4
71.01383	15.6
71.05040	0.1
72.01724	0.2
72.99320	0.9
73.02948	12.9
74.03289	0.2
75.00872	0.3
81.03456	0.2
83.01391	3.8
83.05013	0.2
84.02173	0.2
85.02953	3.7
86.00095	0.1
87.00880	1.6
88.98827	1.0
89.02449	7.7
90.02796	0.1
95.01408	1.0
96.96014	0.2
97.02937	0.6
97.06607	0.1
99.00875	0.9
99.04523	0.3
99.08144	0.4
101.02451	13.6
101.06084	0.2
102.02808	0.2
111.00865	0.1
111.04526	0.1
113.02460	5.1
113.09735	0.2
115.92035	0.2
119.03516	2.8
123.08168	0.2
125.02463	0.6
125.09757	0.1
127.11256	0.2
129.01938	0.1
129.09216	0.3
131.03497	0.4
135.08174	0.2
137.09726	0.4
139.07596	0.1
139.11293	0.4
141.09288	0.1
143.03525	0.7
143.10831	0.1
149.04532	0.5
149.09712	0.1
155.03546	0.2
155.10793	0.1
159.03014	0.2
161.04594	1.3
164.08432	0.1
165.12852	1.1
167.10788	0.9
168.11508	0.2
179.05544	0.5
179.10789	0.1
181.12292	0.2
183.13884	0.3
189.00388	0.2
203.05698	0.1
218.02467	0.1
221.06592	0.2
247.20734	0.3
249.18558	0.6
265.21680	0.3
267.19525	0.4
285.20718	0.3
301.20166	0.2
309.20792	0.2
327.21790	1.1
328.22220	0.1
345.22626	0.2
369.22595	0.1
429.25006	0.7
430.24725	0.1
440.17377	0.1
447.26010	0.6
471.25751	0.3
489.27020	2.0
490.27228	0.3
505.26477	1.0
506.26608	0.2
507.28018	1.7
508.28299	0.2
531.28058	3.5
532.28503	0.7
549.29047	100.0
550.29401	18.6
577.77344	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2909
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.7
57.03444	1.2
58.00592	1.0
59.01376	34.3
59.40948	0.1
60.01712	0.5
61.98831	0.9
69.03459	0.9
71.01382	19.2
71.05016	2.1
71.66451	0.1
71.66873	0.2
72.01725	0.4
72.99310	1.5
73.02948	12.7
74.03307	0.2
75.00871	0.4
80.02709	0.2
81.03448	0.6
83.01391	3.9
83.05029	0.7
84.01714	0.1
84.02177	0.3
85.02956	4.1
85.06628	0.4
86.00098	0.5
87.00343	0.2
87.00883	3.5
87.04542	0.2
88.98837	0.2
89.02446	8.2
90.02795	0.2
93.03463	0.1
95.01389	1.0
95.05038	0.4
96.79201	0.1
96.96014	0.4
97.02958	0.7
97.06611	0.3
99.00887	1.3
99.04536	0.3
99.08161	1.0
99.92598	0.2
101.02452	16.3
101.06088	0.8
102.02810	0.3
109.06616	0.3
111.00908	0.2
111.08161	0.4
113.02460	5.9
113.06168	0.1
113.09731	0.8
115.03982	0.1
116.92868	2.7
117.01964	0.2
117.92884	0.1
118.17301	0.1
119.03510	3.5
121.06626	0.5
123.08159	1.3
125.02489	0.5
125.09747	1.1
127.00404	0.4
127.11306	0.4
129.09238	0.5
131.03522	0.7
135.50897	0.1
137.09752	0.2
139.07706	0.1
139.11327	0.8
141.09222	0.6
141.12871	0.3
143.03506	0.8
143.10820	0.4
149.04544	0.5
151.11295	0.4
153.12885	0.3
155.03545	0.1
157.12444	0.1
159.02994	0.2
160.04077	0.1
161.04549	1.4
162.05013	0.1
163.11295	0.4
165.12857	2.5
166.13197	0.1
166.87785	0.1
167.10785	0.4
167.14409	0.3
168.11565	0.6
169.12259	0.1
177.12773	0.1
179.05632	1.0
179.10825	0.2
179.14439	1.1
180.11560	0.5
181.12340	0.8
183.13918	1.0
185.11842	0.1
187.09750	0.4
189.00406	0.6
191.10818	0.2
193.15970	0.3
205.16106	0.1
207.10231	0.2
207.17557	1.8
208.17772	0.1
209.11819	1.7
216.01680	0.1
221.06720	0.1
225.11324	0.5
227.12872	1.4
228.13283	0.1
245.13928	0.3
247.20654	2.2
248.21129	0.2
263.20087	0.3
265.21664	2.2
266.22034	0.2
273.18527	0.1
291.19702	1.0
292.19901	0.1
307.19104	0.2
307.61566	0.1
309.20679	2.2
310.21121	0.3
325.20209	0.2
327.21762	4.8
328.22107	0.6
343.21246	0.1
345.22803	2.9
346.23273	0.3
351.21851	0.2
367.09198	0.1
387.16577	0.1
393.22928	0.2
471.25891	1.0
472.26453	0.2
489.26968	2.7
490.27243	0.4
505.26315	0.4
507.28033	4.6
508.28159	0.7
530.87006	0.1
531.28082	0.6
532.28741	0.2
549.29053	100.0
550.29401	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	548.2706
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	0.2
61.98828	100.0
62.98533	0.1
65.87990	0.1
70.46441	0.3
76.69194	0.1
98.20543	0.1
100.38449	0.1
134.47905	0.1
228.53131	0.1
249.18671	0.5
250.18948	0.8
251.19157	0.5
252.19545	0.1
262.92688	0.1
274.25330	0.1
306.07764	0.1
378.47504	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2368
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59420	0.3
57.03449	0.3
59.01383	1.1
60.93080	0.2
61.98824	1.3
63.96239	1.2
69.03464	0.7
70.77500	0.8
71.01010	0.5
71.01384	7.6
73.02949	2.2
78.95902	0.4
78.98595	5.9
79.95741	9.2
80.96522	61.4
81.03458	1.2
83.01390	0.7
85.02959	2.3
87.00890	2.6
91.04014	0.2
94.02103	0.3
94.98092	15.3
95.01416	0.3
96.96008	0.8
97.02959	1.1
99.00892	0.8
101.02444	3.0
106.98103	3.3
113.02495	0.4
120.99609	0.3
122.97594	5.2
125.02465	3.2
127.00379	0.7
127.04048	0.6
134.97598	4.8
136.99182	1.5
143.03412	0.4
145.02933	0.4
148.99155	6.3
152.98647	7.2
152.99542	0.3
164.98648	10.0
167.00191	0.4
182.99707	2.2
188.98756	0.5
189.00391	1.0
206.99733	3.1
225.00737	17.7
226.00970	0.8
243.01743	1.8
249.18585	2.0
261.11292	0.4
299.04379	2.7
314.67093	0.3
356.54962	0.2
549.23669	100.0
550.24011	16.6
550.32648	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.8
57.03446	1.7
58.00594	0.7
59.01379	35.2
60.92631	0.5
61.98829	2.6
69.03474	1.1
70.26940	2.8
71.01382	17.9
71.05003	0.7
72.99307	1.5
73.02950	13.7
75.00890	0.6
78.19731	0.5
78.95908	1.0
83.01402	4.2
83.05034	1.2
84.02229	0.5
85.02955	4.0
87.00886	4.1
87.80599	0.5
89.02452	6.7
95.01398	1.0
96.96035	2.8
97.02944	1.1
97.06593	3.8
99.00903	1.9
99.08179	1.6
101.02456	12.0
111.00940	0.6
113.02467	4.5
114.07962	0.5
115.92129	2.7
116.92883	1.8
119.03519	1.7
125.02528	0.7
127.00361	1.9
127.11258	1.0
135.08157	1.1
139.11298	1.9
143.07152	1.6
167.10796	1.2
167.14389	1.1
178.65814	0.6
181.08713	0.5
181.29303	0.5
183.10310	5.2
189.00439	1.8
191.05591	1.1
201.11305	2.2
214.30405	0.6
221.19072	1.8
226.37560	0.6
256.72006	0.5
265.18057	11.0
266.18463	0.9
283.19159	4.3
301.20163	10.0
302.20587	0.7
313.20187	1.1
341.11237	0.6
341.19086	0.6
445.24326	6.1
446.24890	1.0
463.25507	9.6
464.25739	1.5
505.26505	100.0
506.26886	15.0
549.29364	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	547.3118
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.2
55.06310	0.2
57.03442	0.2
58.00608	0.2
59.01379	14.2
61.98839	1.3
65.79374	0.2
70.72135	0.2
71.01385	2.6
72.99338	0.2
73.02934	0.7
82.19338	0.2
83.01376	0.4
83.05009	0.2
85.02945	0.8
87.00874	0.6
89.02442	2.5
95.01395	0.2
97.06583	0.2
98.19935	0.7
101.02454	2.9
108.02171	0.6
109.03021	0.2
110.74438	0.2
113.02456	1.2
119.03516	0.7
121.02879	0.2
133.05038	0.3
133.59540	0.1
143.03531	0.2
152.01154	0.4
161.04570	1.4
179.97363	0.2
201.03873	0.2
229.85544	0.2
233.19022	0.8
235.08217	1.8
251.20148	100.0
252.18384	0.1
252.20483	10.0
253.09274	13.0
254.09645	0.9
321.17926	0.2
349.23999	0.2
420.91611	0.2
487.29193	0.4
547.14569	0.2
547.25220	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.312
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60647	0.5
55.79812	0.6
56.98006	0.5
58.02984	0.5
59.01378	100.0
60.01726	1.1
61.98829	6.2
71.01402	1.6
71.67029	0.9
73.02962	1.2
78.95908	1.6
83.01405	0.9
85.02949	1.1
87.00901	0.8
88.98829	1.4
89.02483	1.4
91.04017	6.4
93.03472	0.7
96.96025	5.5
96.96993	1.7
97.06635	0.7
99.00893	0.8
99.44888	0.5
101.02467	1.4
113.02472	1.1
120.99680	1.7
125.02498	0.7
127.00362	1.2
128.03578	1.3
143.04681	1.9
161.02487	0.5
173.04671	0.5
183.10327	0.8
189.00479	0.8
201.11328	14.0
202.11713	0.7
211.13466	1.7
229.14433	19.8
230.14793	1.2
254.07910	0.6
272.08923	1.0
395.24460	1.9
396.24707	0.6
409.68622	0.5
413.25449	6.1
449.14789	1.1
487.33572	0.8
547.15076	0.7
548.26605	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	548.1615
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	28.8
58.03789	0.5
59.01380	4.3
60.31904	0.3
61.98832	18.6
62.31809	0.3
62.37114	0.3
63.92870	0.3
71.01384	1.8
72.05240	0.3
73.02943	1.7
78.95889	0.4
83.01394	1.1
85.02968	0.7
87.00855	0.4
89.02438	0.6
93.03469	0.6
96.96030	1.7
99.00884	1.2
99.04549	0.6
99.92585	0.6
101.02470	3.1
105.11893	0.3
109.02963	2.5
111.69471	0.3
113.02467	0.5
115.92116	0.5
116.92906	1.5
121.02974	19.8
122.03307	0.6
125.02448	0.8
127.00404	1.9
134.03790	0.4
135.04504	0.7
143.04573	0.4
149.04692	0.4
149.06090	0.3
151.00383	0.4
161.04634	0.5
177.05615	0.9
179.07152	100.0
180.07491	6.0
181.12332	0.6
189.00421	2.4
190.00774	0.5
191.05605	0.5
193.05078	0.8
207.03058	0.7
221.08289	0.4
225.11275	0.6
229.77438	0.4
235.62527	0.3
243.03209	0.5
255.02928	1.2
271.02423	2.1
297.95978	0.3
300.02734	4.0
301.03558	0.9
306.07477	0.3
341.12415	34.1
342.12857	3.6
383.13437	9.2
384.13858	1.2
387.10678	1.6
423.16565	1.8
424.17551	0.3
485.16583	7.6
486.16913	1.3
505.09827	3.4
518.26929	0.4
548.27417	1.2
549.13312	0.4
549.21637	1.1
549.28564	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.2703
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20869	0.2
52.22949	0.2
56.46797	0.1
61.98829	100.0
62.64145	0.2
70.01318	1.0
109.64345	0.2
123.03851	0.2
152.24890	0.2
153.97464	0.2
159.31613	0.2
167.22211	0.2
168.01848	0.2
183.18362	0.2
232.22215	0.2
243.52545	0.2
249.18689	0.4
250.18980	0.7
251.19217	0.4
384.67853	0.2
465.48917	0.2
539.41663	0.2
551.58289	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.1094
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87598	0.5
51.93295	0.4
57.03451	3.6
59.01379	3.8
61.98825	4.9
64.17757	0.5
71.01390	1.3
73.02945	1.9
79.99937	0.4
83.01384	0.8
85.02971	0.7
89.02422	0.7
93.03478	0.7
96.96008	7.0
99.00879	1.1
99.04533	1.6
101.02450	1.7
108.02184	0.7
121.02946	0.8
123.04530	0.5
125.02402	0.8
127.00375	1.8
133.02985	1.1
149.02431	0.9
154.86362	0.4
161.04573	2.1
176.01158	12.8
177.01936	100.0
178.02263	5.5
189.00420	2.3
191.05646	1.9
219.02858	0.7
276.93591	0.5
305.08948	1.2
321.06165	8.0
322.06693	1.1
339.07199	45.8
340.01761	0.4
340.07471	4.9
349.20172	0.5
381.08228	11.1
382.08588	1.5
421.11569	1.1
449.20291	0.8
483.11517	5.2
484.11871	1.1
546.17255	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.1985
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61694	0.8
52.46150	1.0
58.00594	1.8
59.01377	35.7
61.98827	26.1
71.01382	27.9
71.67967	0.9
71.68391	1.8
72.00911	4.5
72.99309	1.5
73.02966	1.9
74.02483	6.4
75.00880	1.1
75.15528	0.9
85.02966	4.0
87.00895	2.7
89.02448	42.3
89.37950	0.8
95.01367	1.1
96.95993	1.1
97.99018	1.0
101.02458	16.2
113.02441	9.8
116.05066	18.9
116.92845	1.1
117.05383	1.1
119.03510	15.2
119.04956	1.1
128.03528	1.0
131.03529	1.6
135.03011	1.1
142.06590	5.3
143.03528	4.0
149.04507	1.0
157.07773	1.4
159.09286	4.0
161.04564	4.7
177.02005	1.7
179.05603	19.1
179.07031	1.6
189.05661	1.0
191.05652	1.3
199.07117	1.0
203.08267	30.2
204.08583	1.7
205.01349	1.0
219.07664	1.5
325.05692	2.7
341.10883	100.0
342.11218	7.7
409.07861	1.8
427.08798	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26403	0.2
55.01884	0.5
57.03450	0.7
58.00582	0.6
59.01377	12.1
60.99308	3.9
61.98827	1.2
69.03457	15.0
70.58843	0.7
71.01001	0.6
71.01384	9.1
71.05022	29.2
72.01733	0.4
72.05363	0.6
72.99303	0.8
73.02945	1.7
75.00845	0.3
75.02407	0.6
77.03993	0.4
77.90298	0.3
81.77874	0.3
81.78362	0.3
83.01392	1.0
85.02953	3.9
87.00857	1.4
88.98815	22.4
89.02448	8.1
89.99152	0.4
93.03461	1.2
95.00819	0.3
95.01395	1.1
96.96011	1.3
98.20576	0.3
99.00866	0.5
99.04521	0.4
101.02451	9.1
105.03458	0.4
107.05042	1.0
111.00917	0.3
113.02457	9.3
116.94943	0.3
119.03513	6.5
119.94671	0.3
121.02970	15.1
122.03321	0.8
123.04659	0.3
125.02446	0.3
131.03510	1.3
134.03763	5.7
135.04610	0.6
143.03505	1.7
147.00911	3.1
147.02974	0.5
147.08165	1.1
149.09735	4.8
159.04448	0.3
160.01596	0.3
161.02472	11.6
161.04529	6.1
165.01941	1.2
175.07518	0.3
177.09218	7.8
178.09599	0.4
179.05646	4.3
189.01907	2.8
190.99863	0.9
191.05653	0.8
193.08702	0.9
208.47153	0.3
219.03004	4.4
220.03128	0.3
221.08200	100.0
222.06454	0.6
222.08531	8.2
231.02943	0.5
249.04022	0.3
263.07629	0.6
309.06113	0.6
383.13504	0.3
393.08319	1.3
459.80170	0.3
545.13641	0.3
545.22809	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.296
Annotation	Unknow
Peak:m/z	Relative Intensity
55.49246	0.1
59.01377	100.0
60.01719	1.0
61.98839	0.2
68.74380	0.1
69.57121	0.3
69.57530	0.6
69.60027	0.1
83.05045	0.1
101.62904	0.1
191.76996	0.1
250.93309	0.1
505.56018	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	545.1813
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	4.6
61.98828	24.3
64.30045	0.7
70.68263	1.7
70.68624	1.5
78.91882	2.1
80.91683	3.1
108.02193	13.7
109.03017	0.9
117.03442	0.8
119.05042	0.9
121.02934	1.7
123.04540	7.7
133.03032	0.8
134.03773	10.2
135.04033	3.6
136.04247	1.1
137.06107	8.3
139.03961	0.7
144.94139	1.4
146.03769	1.8
146.93872	2.2
147.04533	0.8
148.05263	1.2
149.06117	1.1
158.03770	0.9
159.04533	2.5
171.04527	2.3
173.05884	0.7
186.06848	0.8
187.04051	1.0
192.04295	2.0
193.05080	8.3
194.05394	4.5
195.05588	2.1
199.03976	7.1
199.07608	8.5
201.96272	3.3
203.96024	6.3
205.05014	1.0
207.06631	4.9
213.05518	1.6
225.05554	1.0
229.04843	0.9
230.05740	1.1
231.06613	2.2
235.10913	0.7
243.06520	4.7
245.08075	1.1
247.07751	1.4
251.10751	0.8
260.60458	0.8
261.09091	1.9
263.10791	1.9
264.07791	1.4
269.04550	1.1
275.06912	0.7
277.08685	0.7
279.07132	0.7
279.10178	3.6
280.87741	0.8
287.07126	1.5
288.07715	0.7
289.08685	4.6
290.09256	1.5
291.06577	1.0
291.10153	1.3
292.07401	2.5
295.09695	1.5
300.04373	0.8
305.04999	1.0
305.08197	4.7
305.11511	1.3
306.08859	3.5
307.06702	1.3
307.09735	38.5
308.06949	1.5
308.10126	5.5
313.10870	3.5
314.11072	3.2
315.06577	2.2
315.11447	3.2
317.08340	1.1
318.05267	1.4
319.06055	1.1
319.09540	0.8
321.11331	8.5
322.12085	31.1
322.15961	1.5
323.09204	14.4
323.12589	5.5
324.09573	1.5
332.06656	0.8
333.07669	10.6
334.08347	4.5
335.09183	6.3
336.06335	2.6
336.09952	1.6
337.14453	84.3
338.11368	1.4
338.14880	9.9
348.06415	1.2
348.10007	5.9
349.07040	2.5
349.10782	8.3
350.07840	5.8
350.11658	3.0
351.08731	68.8
352.09146	9.6
363.12421	4.4
364.09445	1.2
365.10278	15.3
365.14569	1.0
366.11041	30.1
367.11557	5.6
377.06580	1.2
381.13416	60.5
382.13858	7.1
392.08844	2.0
407.11331	3.8
425.12320	4.1
471.79861	0.8
501.19165	46.1
502.19467	9.8
545.18115	100.0
546.18500	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	543.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99147	0.2
55.01856	0.9
57.03439	1.1
57.69034	0.2
58.00583	1.0
59.01379	16.7
60.01748	0.2
60.51357	0.3
61.98832	3.0
71.01385	14.4
71.69750	0.4
72.99314	1.2
73.02948	4.0
73.04010	0.3
77.42793	0.3
78.95897	0.4
79.95738	0.8
80.96515	1.9
83.01395	2.8
85.02958	5.5
87.00878	2.4
87.04517	0.6
88.98824	0.7
89.02451	8.1
94.98102	0.9
95.01395	1.2
96.96017	2.1
97.02937	0.3
99.00893	1.8
101.02456	10.8
101.56782	0.3
107.05048	0.3
113.02459	4.5
113.06112	0.8
119.03513	2.9
119.04887	0.3
121.03025	0.3
125.02474	0.5
127.00373	0.3
128.03522	0.5
129.01964	0.4
130.08769	0.4
131.03543	0.4
135.04536	0.5
137.09769	0.5
143.03496	0.4
151.00450	0.4
159.17496	0.3
161.04593	1.4
164.98647	0.3
179.05750	0.4
181.08670	1.3
189.00476	0.4
191.05640	0.7
191.14494	0.3
199.09772	0.4
225.00768	0.7
226.01488	0.3
257.15433	2.9
271.16904	0.4
273.18530	2.1
274.19006	0.3
291.19656	0.8
301.18094	1.0
302.39920	0.3
317.17587	9.8
318.17923	1.1
319.19144	1.8
329.17722	0.5
335.18628	8.1
336.19003	0.9
337.20358	0.4
345.17120	2.0
363.17969	1.4
364.18289	0.3
435.17480	0.7
461.23712	0.3
481.24457	0.4
496.22891	0.3
497.23950	9.4
498.24243	1.1
499.25348	1.0
500.25354	0.4
501.23013	0.4
511.19565	0.4
525.16595	0.6
525.23358	10.4
526.23718	1.2
543.24420	100.0
544.24744	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	543.1654
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35772	0.4
59.01367	0.9
59.29924	0.4
61.98829	6.2
62.19819	0.4
63.23258	0.4
70.96009	0.9
78.91882	0.8
82.66527	0.4
89.03983	0.8
91.01904	1.0
95.59411	0.4
105.03484	0.7
108.02180	0.5
114.51974	0.4
117.03477	6.6
121.02990	0.7
123.04527	1.4
131.23364	0.4
133.02963	6.1
134.03755	100.0
135.04466	4.6
137.02446	3.7
139.04053	0.9
141.86786	0.5
144.94086	0.6
147.04646	0.5
148.05296	1.3
149.06090	6.6
150.03264	0.5
151.04047	0.7
160.01721	0.7
178.02670	3.1
179.03494	7.6
180.03854	0.4
193.05064	99.3
193.99329	0.4
194.05438	5.5
196.05418	0.5
197.06207	0.5
201.96239	2.7
211.07710	0.5
298.08444	1.3
303.06570	1.4
304.07428	1.3
305.08246	2.1
306.08725	0.5
313.10806	69.0
314.11127	7.3
318.08856	0.7
319.09805	3.2
320.10367	1.5
331.06198	0.6
335.13013	1.0
361.10806	0.8
379.11816	8.3
380.12241	0.8
499.17569	0.8
531.67371	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.1746
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	10.8
60.46748	0.9
61.98830	8.0
69.37144	9.1
69.37553	2.4
71.01370	1.1
79.95753	4.6
80.96544	1.0
87.04538	3.4
96.96022	100.0
101.02481	1.5
106.54571	0.9
113.02472	1.0
133.02994	1.3
156.65144	1.1
191.05643	2.0
206.09555	1.1
209.11897	1.3
239.55531	1.0
245.19066	1.4
253.09332	2.9
271.99768	1.0
289.18036	7.0
298.33636	1.1
307.19147	7.6
363.38644	1.2
369.12222	37.1
370.12469	2.6
411.13342	28.7
412.13605	2.9
457.17474	69.2
458.17734	6.6
499.18488	62.7
500.18994	7.9
543.17499	45.8
544.17584	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	543.1656
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77679	0.3
58.77863	0.3
59.01386	1.7
61.98827	1.6
65.12148	0.4
69.95226	0.6
69.95623	1.7
78.95893	0.4
81.03463	0.7
89.14254	0.3
95.05017	0.3
106.26369	0.3
107.54241	0.3
108.02186	10.1
117.03499	0.6
119.05058	0.8
121.03037	0.3
123.04534	5.2
127.00434	0.3
133.02969	0.5
134.03760	5.6
137.02478	0.3
137.06094	4.7
138.55461	0.3
145.03038	0.5
146.03706	0.4
147.04494	0.3
149.02487	1.6
149.06020	0.4
150.99261	0.4
154.40205	0.3
155.37805	0.3
159.04594	0.7
162.03253	1.4
171.04564	0.6
179.03564	0.6
190.02707	1.1
191.03526	1.7
193.05075	3.9
198.71005	0.3
199.04037	1.8
203.03488	1.5
205.05080	3.1
211.55162	0.3
214.02686	0.5
215.03485	0.6
227.03514	1.0
228.04272	1.2
229.05051	2.4
235.07664	0.6
241.05058	13.0
242.05412	1.1
243.06647	0.8
248.04872	0.3
255.06569	0.5
256.03836	0.5
259.07779	0.4
261.05600	0.3
261.09116	0.5
262.06400	1.6
263.07047	1.2
267.02963	0.8
275.07178	1.0
277.08749	2.2
278.05841	0.6
278.08987	0.3
279.06702	0.7
287.07147	0.9
289.04926	0.4
290.05933	0.4
293.08243	1.5
293.11298	0.3
299.05576	2.3
303.06616	3.3
304.07285	1.1
305.04843	0.5
305.08102	2.3
306.05389	2.3
307.06018	0.8
313.10709	1.4
315.06622	0.5
317.04855	0.5
319.06033	1.5
319.09464	0.4
320.06891	1.5
320.10275	0.5
321.07675	10.2
321.11447	0.5
322.08087	1.1
330.05301	0.5
331.06125	11.0
332.06778	5.5
333.04105	0.7
333.07642	4.3
334.04816	2.5
334.08359	0.8
335.05453	0.8
335.09167	0.5
336.10022	0.6
346.04752	1.8
346.08511	4.8
347.05539	4.6
347.09274	4.2
348.06351	5.2
348.10025	1.2
349.07162	56.1
350.07532	8.3
359.05646	0.7
361.07126	0.5
361.10861	2.9
362.11462	0.4
363.08728	8.6
364.09506	21.4
365.10083	4.6
374.04446	0.7
375.05212	1.6
379.11868	47.3
380.12164	6.1
389.06473	0.6
390.07404	1.8
391.08099	0.9
405.09766	3.8
406.10370	0.9
407.11270	0.7
419.11172	0.4
423.10770	4.0
424.11041	0.7
528.14160	0.8
543.16541	100.0
544.16888	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	539.3433
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.5
57.03443	2.5
58.00592	1.9
59.01377	37.1
60.01709	0.4
60.12922	0.3
61.98831	5.9
64.65492	0.3
69.03457	0.5
71.01384	31.5
71.71860	0.5
72.01707	0.5
72.99310	2.8
73.02951	6.6
75.00871	1.1
78.95889	0.6
81.03455	0.4
83.01385	3.8
85.02958	9.1
87.00880	2.3
87.04523	1.2
88.98798	0.8
89.02452	28.0
90.02804	0.5
95.01391	2.3
96.96011	0.9
97.06605	0.4
99.00904	2.1
101.02451	21.1
101.55811	0.3
102.02831	0.5
105.03474	0.7
108.02193	0.6
111.00861	0.7
113.02460	11.3
113.09729	0.4
114.02797	0.5
119.02660	0.6
119.03511	9.5
122.96515	0.4
123.08164	1.0
125.02422	0.4
127.00385	0.8
127.05135	0.3
131.03494	1.0
143.03546	1.8
143.10783	0.6
148.04048	1.0
149.04572	0.9
151.03998	0.4
152.07141	0.4
153.09232	1.1
159.02962	0.4
161.04579	2.7
166.05009	0.5
167.10899	0.7
169.12392	0.4
173.11757	0.7
179.05630	5.0
182.06140	0.3
187.13437	1.8
189.00407	0.9
189.05602	0.4
191.05606	0.5
192.02896	0.4
194.04927	0.3
201.14893	0.4
216.13669	0.6
217.14459	1.5
303.25351	0.4
331.24878	0.6
346.05463	0.3
359.28061	0.5
375.27493	1.9
376.27887	0.4
377.29071	22.2
378.29410	2.9
477.10315	0.5
479.24750	0.6
539.34271	100.0
540.34668	18.4
543.06793	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.3305
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19675	0.6
59.01381	24.5
59.05896	0.5
61.98545	0.7
61.98824	4.4
67.48450	0.7
71.72708	0.7
78.95908	18.1
152.99570	2.8
155.13980	0.6
168.04318	2.9
168.05588	0.6
224.06955	7.4
241.21735	100.0
242.07921	1.5
242.22029	10.4
324.79321	0.6
466.29391	74.5
467.29678	9.9
472.41858	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
55.74954	0.3
57.03448	0.7
58.00580	0.4
59.01379	13.4
60.01712	0.5
61.98829	5.4
64.94036	0.3
66.22359	0.3
68.99825	0.4
69.03466	0.5
69.51973	0.9
69.52393	2.2
71.01385	3.7
73.02946	3.4
75.00159	0.3
76.84951	0.3
78.95927	0.4
81.03465	1.9
83.01398	1.7
85.02954	3.9
86.49539	0.3
87.00896	0.4
87.04525	0.9
88.98820	0.5
89.02441	0.6
95.01388	2.6
96.95998	0.7
97.02969	0.4
99.00908	0.7
101.02456	2.6
108.02187	50.4
109.02979	37.3
110.03333	1.7
113.02463	1.2
117.97839	0.3
121.02990	0.6
123.00893	2.5
123.04570	0.8
125.02447	0.4
135.00909	0.6
135.04567	0.7
139.11316	5.9
151.04019	1.1
152.01172	62.6
153.01971	22.2
154.02390	0.7
154.46718	0.4
159.78387	0.4
160.69193	0.4
163.04025	1.1
165.01973	0.5
169.12363	0.6
170.72072	0.4
177.01894	0.5
179.05391	0.4
181.12398	1.7
183.10306	7.7
183.11887	0.6
184.10649	0.4
189.00401	0.5
189.09233	1.5
225.11313	2.2
230.28120	0.3
231.10245	1.2
243.12358	1.2
271.47855	0.4
275.09247	0.8
297.06226	0.5
396.46573	0.4
479.19159	3.0
481.17197	4.0
482.17377	1.0
497.16681	3.8
497.20291	2.3
523.18121	2.2
524.18781	0.5
541.19202	100.0
542.19537	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	539.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70714	0.9
55.01870	2.6
57.03447	61.4
58.00585	2.4
58.03767	1.7
59.01378	74.8
60.01713	0.8
61.98829	6.6
65.03965	2.5
67.01871	1.0
69.03455	6.2
69.48606	0.6
69.48892	7.6
69.49297	1.7
71.01383	45.6
72.01684	0.9
72.99297	4.2
73.02951	11.9
75.00878	1.1
78.95908	2.6
79.05518	1.7
81.03462	15.1
83.01388	7.0
83.05029	62.3
84.05376	2.2
85.02958	18.2
85.06621	0.8
87.00874	3.4
87.04535	2.5
89.02452	29.0
89.03977	3.0
91.05530	1.5
93.03461	4.1
95.01370	4.5
95.05048	6.7
96.96017	23.4
96.96949	2.1
97.02945	4.7
97.06609	1.0
99.00873	4.9
99.04533	20.9
101.02454	33.1
104.05042	1.5
105.03471	18.9
105.07114	1.1
106.04288	1.6
107.05045	14.4
108.02159	1.4
109.02959	3.6
109.06591	1.5
111.04552	2.1
113.02464	16.3
115.05522	2.1
119.03521	9.2
119.05023	4.1
120.99655	0.9
121.02974	8.7
121.06581	0.9
122.03738	1.7
123.04537	41.9
123.08186	1.2
124.04866	1.4
125.02469	7.6
125.06071	5.1
127.04033	28.3
131.03543	0.9
131.05008	1.7
133.02937	1.8
133.06599	13.2
134.03741	8.1
134.07050	1.0
135.04564	5.1
135.08128	1.4
137.02423	1.1
137.06120	5.2
137.09837	1.1
143.03488	3.1
145.02985	1.3
146.03793	1.0
147.04562	5.3
147.08177	5.4
148.04050	6.2
149.02444	3.1
149.04602	1.6
149.06093	2.2
150.03313	1.1
151.04005	1.9
159.03125	1.1
159.04501	2.5
160.05304	3.4
161.04585	12.6
161.05940	1.5
161.09709	2.3
165.05557	2.8
166.05118	1.8
171.08154	7.0
172.08508	1.0
173.06093	1.1
174.06822	2.1
175.04002	1.0
177.05566	1.9
179.03537	1.5
179.05614	4.9
187.07597	8.0
187.13382	1.7
188.08389	2.5
189.09215	57.1
190.09547	4.7
191.05600	1.9
192.02953	4.4
193.05078	14.6
194.05522	1.1
203.05516	1.5
205.08685	4.3
207.10251	3.1
215.07169	1.7
217.14423	1.3
226.06300	1.0
231.10237	5.4
233.08163	14.2
234.08463	1.1
249.07774	2.0
251.09251	10.7
255.10088	1.8
267.08600	1.6
270.34915	0.9
285.04086	1.0
293.10217	1.7
297.36935	0.9
299.07843	0.9
305.08813	0.9
317.23242	1.1
331.06476	0.9
333.13675	0.8
351.14676	1.0
358.99808	2.2
359.15112	1.0
359.27716	1.1
375.27515	1.6
377.12161	1.2
377.29108	21.4
377.33957	1.3
378.29526	1.9
395.13446	19.1
396.13910	2.7
414.87134	0.9
437.14487	6.1
477.17377	1.8
522.15021	2.2
538.32990	3.4
539.17432	8.9
539.34271	100.0
540.16888	2.1
540.34686	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	539.2734
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.7
61.98830	8.1
70.13289	4.9
78.95908	7.3
80.96529	1.9
82.05853	1.1
82.24767	1.1
86.52509	1.2
94.98088	1.2
98.20664	1.2
98.36392	1.2
116.92909	1.2
140.01207	1.7
146.75684	1.2
196.03798	1.9
214.04834	2.6
216.71486	1.0
241.21777	2.7
279.23282	100.0
280.23578	9.9
320.40689	1.1
366.16428	1.3
396.48099	1.2
448.45300	1.1
466.29074	1.4
476.27798	36.7
477.28214	4.9
481.15149	2.0
539.25256	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	539.2734
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	7.4
60.43188	3.0
61.98832	22.6
78.95906	32.9
140.01221	4.4
196.03804	10.6
197.56024	3.3
207.44247	2.9
214.04825	4.6
241.21736	24.3
272.58905	3.7
279.23276	100.0
280.23572	16.9
287.47391	3.1
364.91675	3.4
466.29361	17.4
476.27768	73.2
477.28290	13.2
539.25366	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	539.2857
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03211	0.5
57.03449	16.3
59.01380	100.0
59.68734	0.5
59.93774	0.6
60.01713	1.1
61.57318	0.5
61.98832	5.3
65.25609	0.6
71.01389	2.4
71.39534	0.7
71.39876	0.9
73.02944	1.3
78.95911	51.4
85.02992	0.9
90.21657	0.6
93.03549	0.5
96.96973	12.0
99.00881	0.9
101.02486	1.1
113.02452	1.1
116.82983	0.5
116.92872	4.0
125.39481	0.5
127.00386	1.0
133.03020	0.6
147.04588	0.9
153.12872	19.8
154.13252	1.7
161.04602	2.4
163.07660	16.0
164.08098	0.7
167.14423	7.0
182.44673	0.7
189.00499	1.2
193.16028	2.6
211.17273	0.8
273.13715	0.6
273.18582	3.7
317.21231	65.0
318.21585	8.7
357.08917	26.3
358.09354	1.5
480.48474	0.6
539.25580	5.0
540.31543	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.1437
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06060	0.5
57.03459	0.5
59.01381	14.2
61.98835	12.2
68.71468	0.4
70.57957	0.5
70.58310	1.6
70.88379	0.5
71.01389	3.8
71.73715	0.6
72.99328	0.6
73.02954	2.1
75.68002	0.4
76.76479	0.5
78.95909	1.2
79.95739	3.2
80.96524	1.8
83.01376	1.0
83.09315	0.4
85.02967	1.7
87.00881	1.0
88.26334	0.5
88.98816	1.6
89.02448	2.1
95.01414	0.7
96.96023	100.0
97.95972	0.6
98.95609	1.6
99.00906	0.6
101.02475	2.9
103.00378	0.9
113.02454	1.5
119.03484	0.7
126.27068	0.5
127.00372	1.2
138.97066	1.3
148.65971	0.4
164.98758	0.5
167.14392	0.9
177.67114	0.5
189.00414	1.3
191.05608	1.2
211.13387	2.0
223.13266	0.5
241.00319	1.4
244.65291	0.5
246.67006	0.4
247.48021	0.5
290.47159	0.5
435.13138	1.1
453.14349	59.7
454.14667	7.0
478.30969	0.8
479.32251	2.0
495.15405	61.8
496.15707	8.5
521.13464	0.6
539.14325	36.2
540.14716	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	537.3275
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02934	0.6
55.01880	3.4
57.03452	7.2
58.00579	4.4
59.01377	84.8
60.01713	1.0
61.98826	11.8
64.42890	0.6
67.00520	0.6
68.99821	0.7
69.03474	1.2
69.38825	5.8
71.01382	76.2
71.05022	1.0
72.01723	1.7
72.99308	5.3
73.02946	17.1
75.00867	1.0
77.25436	0.5
83.01388	9.5
85.02954	27.0
85.03473	1.3
86.03310	0.7
87.00877	4.3
87.04504	3.5
88.98813	3.1
89.02449	51.9
90.02789	0.8
95.01399	6.7
96.96022	1.8
97.03001	1.3
97.06612	1.5
99.00895	6.2
99.04521	1.3
101.02451	50.0
102.02821	0.9
108.02164	0.7
109.02985	0.5
109.06615	1.5
111.00880	1.1
111.08197	0.6
112.94318	0.5
113.02460	28.5
113.09793	1.3
114.02806	1.0
119.02666	1.1
119.03513	18.5
121.03046	0.8
121.10221	0.7
123.08156	1.6
125.02458	2.4
127.00433	3.3
128.00792	0.7
129.01947	1.2
131.03494	1.6
131.60913	0.5
135.04475	0.6
137.09718	1.5
140.20123	0.6
141.09184	0.7
143.03543	3.6
143.10861	0.5
149.04549	1.7
151.00325	0.9
153.09207	3.2
155.10809	1.9
159.03050	2.7
159.10217	0.6
161.04570	13.8
169.12370	1.0
173.11804	2.8
179.05638	7.9
187.13358	2.9
189.00424	2.5
190.65891	0.6
191.05586	0.7
199.13498	0.9
201.14949	1.8
203.12752	0.7
203.45483	0.5
205.03497	0.8
205.73071	0.5
216.13614	1.0
217.14433	18.0
218.14868	0.9
230.15169	0.6
299.18442	0.8
300.02637	1.4
300.19052	0.6
319.17603	5.4
320.17801	0.6
349.18649	4.5
350.18994	0.7
357.26340	2.1
363.20215	7.7
364.20566	0.8
375.27521	25.3
376.27863	3.4
379.19720	68.8
380.20102	8.0
393.21277	1.3
430.21494	0.7
447.09122	1.6
519.31683	23.8
520.31909	3.9
537.32733	100.0
538.33038	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	537.3273
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	2.0
57.03445	7.2
58.00592	5.6
59.01377	67.4
59.86914	0.4
60.01722	0.7
61.98829	4.9
69.03451	1.8
69.39874	4.5
71.01383	60.6
71.05018	1.1
72.01734	1.0
72.99315	5.0
73.02948	12.0
75.00865	1.2
83.01389	6.9
83.05030	0.6
85.02953	18.8
87.00883	4.0
87.04517	8.6
88.98830	0.8
89.02451	48.6
90.02785	1.2
95.01392	4.7
96.96027	1.1
97.02970	0.7
97.06612	2.8
99.00896	3.6
99.04543	1.1
99.08160	0.7
101.02451	39.5
101.06103	1.2
102.02808	0.7
109.06602	2.1
111.00860	0.7
111.08160	1.6
113.02456	24.0
114.02793	0.6
115.13114	0.4
119.03518	19.6
120.03823	0.6
120.99631	0.4
121.02919	0.4
121.10249	2.2
123.08185	1.9
124.34039	0.4
125.02463	0.8
125.09727	0.6
127.00409	1.6
127.07681	0.7
129.01956	0.7
129.09235	1.4
131.03506	1.3
135.08162	2.4
137.09746	0.9
138.06883	1.3
139.07681	0.9
139.11334	0.7
141.09219	1.2
143.03531	3.3
143.29712	0.4
149.04567	1.5
151.11272	0.4
153.09222	7.7
154.09520	0.6
155.10791	1.0
157.12384	0.8
159.02966	2.4
159.10287	5.7
161.04565	18.1
162.04872	0.5
167.10709	0.6
169.12347	1.4
173.11830	4.8
174.12097	0.5
179.05600	8.1
179.07097	0.3
179.10841	0.4
181.12334	0.8
185.11742	0.5
187.13394	1.7
189.00378	1.2
191.05641	0.5
193.05017	0.8
196.58041	0.4
199.13374	1.5
201.14973	0.4
205.03522	1.1
217.14433	51.8
218.14795	3.6
231.15981	1.7
271.19147	0.6
305.15884	0.6
319.17603	27.3
320.17923	2.1
349.18661	7.9
350.19119	0.7
357.26367	1.3
363.19852	0.4
375.27512	20.2
376.27820	2.2
379.19669	0.9
393.21454	0.5
519.31683	5.7
520.32178	1.2
537.32709	100.0
538.26630	0.6
538.33044	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	537.2468
Annotation	Unknow
Peak:m/z	Relative Intensity
57.82828	1.6
58.29903	1.7
58.65230	1.5
59.01381	10.4
59.24245	1.5
61.98830	50.2
64.06900	1.5
65.27276	1.7
69.41768	11.9
69.42194	5.2
71.01379	3.4
73.02926	2.6
78.95908	27.5
79.95742	2.6
80.96509	3.0
87.00871	2.1
96.96020	94.2
96.96975	3.7
98.19911	2.6
98.95584	2.8
101.02436	2.9
111.08148	10.1
127.00324	2.4
134.03783	1.9
152.98415	2.3
152.99602	42.3
161.02425	1.9
166.96695	2.4
169.12367	3.3
171.00560	2.8
189.00356	2.3
191.05675	3.8
197.11838	37.1
198.12239	2.5
211.13303	4.7
222.99069	2.1
227.03178	5.1
241.00233	19.5
242.99927	1.7
245.04103	2.3
283.01251	14.6
291.19595	3.4
309.20758	17.8
412.67059	1.8
416.67166	1.9
451.00372	9.9
451.16422	23.7
452.16574	4.6
493.01605	16.2
493.17456	19.9
494.17273	3.8
534.46008	2.0
537.00586	10.8
537.16260	15.8
537.24469	100.0
538.17181	3.1
538.24890	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	537.3275
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.3
57.03449	4.3
58.00592	2.6
59.01378	43.3
60.01708	1.0
61.98830	4.6
69.03463	0.4
69.71463	2.0
69.94657	0.2
71.01385	34.9
71.05027	0.6
72.01726	0.7
72.21795	0.2
72.44432	0.3
72.99313	3.3
73.02950	8.6
75.00879	0.6
83.01398	3.8
85.02957	9.8
85.06586	0.3
86.03313	0.3
87.00875	2.5
87.04509	1.3
88.98808	0.6
89.02449	29.2
90.02784	0.5
95.01395	2.4
96.00907	0.2
96.96008	1.3
97.02939	0.3
97.06608	0.8
99.00906	2.3
99.04529	1.4
99.08160	0.3
101.02452	23.5
102.02802	0.6
107.05003	0.3
109.06622	0.4
111.00909	0.5
111.08170	0.7
113.02464	13.2
113.09727	0.4
114.02801	0.3
116.92953	0.3
119.03513	11.3
120.03878	0.3
120.99630	0.3
121.02967	0.5
121.10231	1.9
123.08176	1.0
125.02452	1.6
125.09744	0.8
126.06628	0.3
127.00397	1.3
129.01984	0.4
129.09216	0.6
131.03572	1.3
137.09761	1.2
139.07661	0.6
139.11227	0.4
141.02068	0.3
141.09236	0.7
141.12912	0.3
143.03490	2.3
143.10818	0.7
149.04585	1.1
149.06137	0.6
149.09677	0.3
151.11359	0.4
153.09212	0.9
155.10791	0.4
157.12337	0.8
159.03023	0.9
159.10257	2.5
161.04585	3.9
162.04831	0.3
167.10800	0.7
169.12338	0.9
171.13939	0.7
173.11792	2.1
177.01949	3.5
178.02225	0.4
179.05623	5.9
179.10838	0.6
187.13454	1.0
189.00386	0.8
191.05618	0.5
193.05058	11.8
194.05469	1.2
195.05484	0.4
199.13403	1.0
200.13922	0.3
201.14897	0.3
203.12897	0.3
216.13690	0.5
217.14432	7.5
218.14766	0.5
299.22430	0.3
315.25385	0.7
319.17575	1.2
349.18613	1.2
349.96475	0.4
357.26428	4.8
358.26767	0.7
375.27505	15.3
376.27917	1.9
379.19717	3.8
380.20059	0.3
389.16934	0.3
393.21371	0.4
449.27432	0.4
499.14294	0.6
519.31561	1.4
520.31860	0.4
537.32721	100.0
538.33044	18.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.1984
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	0.9
57.03448	2.7
58.00590	1.1
59.01377	48.5
60.01703	0.8
61.98830	100.0
69.03463	0.7
71.01384	25.7
71.05026	0.6
71.57355	0.5
71.57742	0.6
72.01714	0.6
72.99310	2.3
73.02953	18.5
74.02488	0.5
74.03302	0.5
78.95907	0.7
83.01392	8.9
83.05012	0.5
85.02963	6.1
87.00881	2.4
87.04529	0.8
88.98803	0.6
89.02451	14.2
90.02769	0.5
95.01390	1.9
96.96052	1.2
96.96955	0.5
97.02961	0.6
99.00883	2.7
99.04523	0.5
101.02451	27.8
101.06116	0.4
102.02831	0.7
103.00403	0.3
107.05065	0.7
109.03010	0.6
111.00948	0.5
113.02466	11.2
114.02808	0.5
115.07575	0.5
116.92897	0.7
117.01949	0.4
118.98108	1.2
119.03519	7.7
121.02975	0.9
123.08140	0.4
125.02472	1.2
125.09746	0.4
127.00390	6.0
128.03566	1.6
131.03514	2.5
134.03775	1.2
135.04176	0.4
137.09750	1.5
141.09233	0.4
143.03545	3.5
143.04636	1.3
149.04561	5.6
149.06158	0.6
150.06651	0.4
155.10825	0.4
159.03026	0.8
160.00717	0.5
161.04565	10.5
162.04860	0.6
167.10800	0.4
173.11787	0.5
178.02792	0.4
179.03281	0.6
179.05670	2.0
189.00435	6.6
191.05647	1.4
192.04344	0.9
193.05051	1.2
194.05434	0.5
203.05693	0.9
205.66060	0.4
207.01457	1.2
207.06548	0.5
208.06981	0.8
217.14584	1.6
221.06679	2.7
222.07008	0.5
227.12866	0.6
231.16061	1.6
241.05257	0.5
254.07904	0.6
272.09033	1.0
287.15042	0.7
287.22586	0.4
288.15335	1.8
289.20303	0.6
298.14798	0.4
305.16147	1.1
306.07764	1.3
319.17343	0.7
369.19397	0.7
373.12787	0.4
373.26099	0.5
374.13208	1.6
374.26245	0.6
375.27496	4.3
429.21194	2.2
449.27667	0.7
510.19824	0.4
519.31915	0.7
535.31476	1.7
536.17780	1.1
536.31635	4.7
537.24438	1.5
537.32709	34.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.1981
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	0.5
57.03454	0.6
59.01380	47.9
60.01722	0.5
61.27542	0.3
61.71301	0.3
61.98832	100.0
71.01384	7.7
71.57436	0.5
71.57816	0.3
72.99332	0.3
73.02956	3.6
77.82478	0.2
81.03474	0.3
82.37717	0.3
83.01395	1.4
85.02977	2.6
87.00901	0.8
89.02451	6.0
95.01407	0.5
97.02944	0.4
99.00898	0.7
101.01802	0.5
101.02454	6.3
107.72110	0.3
113.01741	0.3
113.02458	4.6
119.03514	2.4
123.08195	0.3
123.40193	0.3
125.02415	0.3
127.00329	0.8
128.03557	0.4
129.01912	0.3
131.03479	0.4
143.03453	0.4
147.04437	0.4
149.04570	0.4
159.02953	0.3
161.04585	2.0
179.05565	0.9
189.00339	0.5
193.05031	0.3
195.13840	0.4
225.14786	0.8
225.16888	0.3
319.98093	0.3
330.14139	0.3
369.19208	11.1
370.19000	1.3
375.26703	0.3
387.20251	6.7
388.20154	0.6
410.67258	0.3
429.21295	17.7
429.26990	0.6
430.21497	2.6
493.22906	5.1
536.18005	0.6
537.32062	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1642
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	0.3
59.01377	5.8
68.06392	0.2
71.01392	1.0
71.18382	0.6
73.02972	0.3
79.95747	4.7
80.75841	0.2
80.96525	0.9
85.02968	0.8
87.00881	0.3
89.02472	0.2
95.95242	0.7
96.96021	100.0
97.95957	0.3
101.02456	0.7
103.00379	0.6
113.02441	0.7
138.97081	0.6
164.98640	0.5
180.11562	0.2
209.15480	0.5
225.00781	0.5
238.23508	0.2
241.00284	1.1
256.99747	1.8
267.01816	0.2
283.01169	0.3
297.06598	0.4
298.78458	0.2
299.00876	1.0
433.15518	1.5
437.11356	0.3
451.16428	58.1
452.16730	7.8
493.17471	59.4
494.17780	8.4
519.15436	0.7
537.16400	39.8
538.16724	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	537.1645
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.4
57.03430	0.4
59.01379	24.2
60.01701	0.4
61.98825	1.2
70.73002	0.9
70.87273	0.3
71.01382	3.0
73.02942	2.1
79.95737	4.3
80.96533	2.1
83.01388	0.7
85.02945	2.1
87.00887	0.5
89.02461	1.5
95.01392	0.3
95.95255	1.1
96.96021	79.3
97.95966	0.5
98.95601	2.2
98.96458	0.5
99.00888	0.9
101.02452	4.5
103.00385	13.4
106.74934	0.3
111.00949	0.3
113.02471	1.6
127.00376	0.5
137.66449	0.3
138.97137	0.4
152.98647	0.8
159.03064	0.4
161.04626	0.6
165.48712	0.3
180.98123	2.1
189.00336	0.3
191.05717	0.4
194.99715	0.5
209.15549	0.7
209.17485	0.3
222.99178	0.3
225.00662	0.5
241.00266	1.4
246.85899	0.3
251.95148	0.3
256.99707	2.3
371.20551	0.6
433.15347	8.5
434.15744	1.3
451.16431	100.0
452.16724	12.5
477.30380	0.5
493.17554	19.1
494.17728	2.9
519.15381	3.7
520.15588	0.9
536.31964	0.6
537.16418	41.2
537.32739	11.6
538.16791	6.3
538.33484	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2753
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	0.8
55.36061	0.5
55.75328	0.4
57.03445	1.4
59.01379	27.7
61.98824	4.2
69.03454	0.8
69.76826	2.3
69.77242	1.2
71.01381	11.1
72.99320	0.7
73.02955	4.5
78.95894	0.9
81.03461	1.5
83.01395	3.1
83.05021	3.5
85.02961	5.3
87.00889	3.2
88.03915	0.5
89.02437	1.5
95.01395	1.3
96.96019	1.5
98.19981	0.7
99.00893	1.9
100.07720	0.6
101.02458	6.9
111.00877	1.0
113.02453	3.6
115.07680	0.5
124.01696	0.6
124.74483	0.4
125.02435	1.6
127.00326	0.6
134.04720	0.7
143.03476	0.7
155.14284	0.6
199.18129	0.6
203.07135	1.4
225.16045	0.8
243.17102	1.8
245.04372	0.6
269.21201	2.2
282.25967	0.5
285.20569	0.9
287.22269	27.6
288.04907	1.1
288.22708	2.3
301.23801	1.0
313.07184	1.5
329.23477	0.7
373.26215	0.6
415.28061	0.6
431.26486	13.3
432.26852	2.5
449.27542	38.0
450.27917	6.0
473.27667	0.8
491.28589	100.0
492.28891	14.5
535.23560	0.5
535.31311	1.7
536.37048	9.2
552.39398	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.198
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	0.3
57.03444	0.8
58.00602	0.3
59.01377	51.3
60.01714	0.7
61.98829	100.0
71.01385	8.7
71.71806	0.4
72.01728	0.3
72.99303	0.4
73.02946	4.4
78.28313	0.2
81.03424	0.3
83.01391	1.7
85.02961	3.3
87.00879	0.8
89.02445	5.3
95.01401	0.8
96.96030	0.3
97.02933	0.3
99.00890	0.7
99.86830	0.2
101.02458	6.6
113.02454	4.7
114.02772	0.3
119.03517	2.3
125.02431	0.4
127.00328	0.7
128.03516	0.4
131.03397	0.4
131.05107	0.2
143.03481	0.9
149.04506	0.3
159.02992	0.3
161.04556	2.2
168.96828	0.2
179.05550	0.7
189.00275	0.4
191.14255	0.2
195.13847	0.4
221.06598	0.2
225.14825	1.0
231.43187	0.2
242.69165	0.2
270.29868	0.2
329.13846	0.3
330.14032	0.6
369.19171	12.0
370.19501	1.6
373.12503	0.3
373.17859	0.2
374.13089	0.4
382.39743	0.2
387.20215	6.5
388.20071	0.8
407.14276	0.3
429.21277	18.3
430.21628	3.4
493.22787	6.4
536.17975	0.5
537.31952	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1489
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67972	0.2
53.75299	0.3
55.79554	0.2
59.01383	6.9
61.98822	0.4
71.01398	1.5
71.69069	0.3
71.69421	0.3
73.02953	0.7
79.95747	3.0
80.96519	1.2
85.02962	0.8
87.00890	0.3
89.02469	0.7
95.95245	1.9
96.96024	100.0
97.95987	0.3
101.02452	0.9
103.00392	0.9
113.02459	0.8
119.03549	0.2
131.50575	0.2
137.09717	1.1
138.97115	0.7
164.98676	0.3
205.04077	0.2
222.99232	0.2
241.00237	1.2
256.99719	1.0
259.01416	0.3
299.00848	0.8
326.00092	0.3
431.13580	1.0
449.14853	52.5
450.15198	7.7
491.15918	49.4
492.16245	8.1
492.23483	0.3
517.13922	0.8
535.14868	31.5
535.31537	0.9
536.15198	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	535.2755
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.9
57.03439	1.1
58.00593	0.6
59.01379	21.6
61.98815	1.5
69.03434	1.1
69.39812	5.1
71.01383	11.4
72.99314	1.1
73.02947	3.9
75.00858	0.7
83.01385	2.0
85.02966	5.3
86.00121	0.5
86.31330	0.4
87.00882	2.7
89.02454	1.1
95.01387	0.6
96.96021	0.5
97.02950	0.9
99.00900	1.0
99.08181	0.6
101.02451	5.6
111.00871	0.7
113.02443	2.9
116.73758	0.4
121.03004	0.5
124.01700	1.3
125.02450	1.0
129.01935	0.5
141.12857	1.1
176.79057	0.4
238.83365	0.4
242.69524	0.4
269.21201	2.3
287.22260	25.0
288.22647	2.1
299.22128	1.2
329.23303	0.7
389.25385	0.5
431.26498	12.8
432.26926	1.4
449.27545	34.9
450.27881	5.4
491.28580	100.0
492.28903	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	535.1197
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01106	1.7
59.01377	22.4
61.74433	0.9
61.98830	100.0
62.28532	0.8
67.01855	1.2
68.01408	5.1
71.01378	4.9
71.71407	1.6
73.02934	1.4
78.91867	1.5
78.95913	1.6
85.02954	2.1
87.00832	1.1
89.02467	1.5
93.03454	1.6
96.96025	2.5
98.50686	0.9
99.00919	1.1
101.02455	2.2
107.99806	1.0
110.02490	4.1
113.02483	1.5
116.92888	1.1
144.49667	1.0
152.99506	1.5
161.04578	2.7
188.05663	1.2
203.05716	4.6
213.05557	1.0
223.06396	1.4
227.07201	4.5
230.06662	14.5
239.07069	6.6
245.04204	1.9
250.08771	2.1
278.08368	1.4
281.08151	1.8
341.76559	1.0
368.11295	1.7
428.12888	1.1
491.28510	1.9
535.23126	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	534.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93733	1.3
56.49818	1.3
59.01377	63.3
61.98830	100.0
71.01387	14.6
73.02949	11.1
75.08904	1.3
83.01396	4.0
85.02969	3.8
89.02459	3.9
97.02975	1.4
98.20676	2.6
99.00893	1.4
99.05617	1.7
101.02452	11.4
105.37785	1.3
113.02454	7.3
128.03542	3.4
138.06889	9.9
139.07616	4.2
139.15031	1.3
143.04660	2.9
151.07651	10.3
152.08463	15.9
153.09232	59.6
154.09564	3.0
161.04561	3.5
165.09279	2.7
176.47655	1.2
185.45111	1.5
203.05611	2.4
205.12367	19.4
206.12552	1.8
223.13403	23.8
226.25859	1.3
229.62881	1.5
232.93646	1.5
272.08948	2.5
291.25833	1.7
294.57788	1.5
306.07532	2.5
329.13675	2.2
367.17584	22.0
368.18134	3.7
385.18735	6.5
427.19699	31.9
428.20084	4.0
534.21326	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	534.2854
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02980	5.2
59.01362	2.8
61.98827	9.6
68.94215	1.0
71.57589	1.4
73.02967	1.1
74.02473	12.5
78.95905	20.1
79.95765	1.0
82.02983	1.2
86.02494	5.5
87.05651	3.4
90.00194	1.7
96.96915	2.0
97.04111	1.6
99.05663	12.2
101.07178	1.1
102.05638	1.7
112.04027	2.7
123.05651	2.1
124.04037	1.2
125.03558	1.4
128.03561	32.3
135.05640	2.2
137.07198	1.2
141.06694	3.2
143.04639	43.5
144.05051	1.5
146.04593	3.5
150.97969	1.0
152.98393	1.7
152.99602	29.5
153.06744	3.5
155.08302	1.0
160.00742	10.2
166.09825	2.1
167.04659	2.4
167.08246	1.6
172.61597	1.0
177.03384	4.2
179.04614	9.3
181.06139	1.6
185.05716	1.8
191.05524	1.0
192.07767	1.0
193.15886	1.8
197.05666	1.2
210.08806	8.9
223.14728	1.1
242.07713	1.3
254.07796	10.2
272.08838	18.9
273.09317	1.3
288.06567	9.3
306.07645	100.0
307.07953	7.3
329.21222	1.3
359.23734	1.4
449.19366	1.5
516.27704	4.9
527.88385	1.3
535.26831	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	533.1871
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	10.5
61.98826	4.7
69.03487	1.3
69.71326	4.5
69.71754	4.2
71.01386	12.4
73.02949	2.6
81.03451	7.0
83.01388	3.5
87.00894	1.5
89.02460	12.8
95.05025	4.4
95.53571	1.3
96.96047	2.2
97.02969	3.7
98.19911	2.2
99.00873	2.3
99.04534	8.0
101.02480	2.3
113.02444	1.4
116.92892	2.3
119.05038	3.7
121.02972	58.6
122.03323	2.7
123.04537	4.9
125.02462	15.1
131.03505	2.0
135.04559	1.7
137.02448	2.9
138.03287	1.9
139.04012	3.3
148.99028	1.4
149.02444	4.6
149.04597	1.5
151.03944	1.4
161.06099	100.0
161.43182	1.2
162.06398	3.4
163.04030	2.9
165.32878	1.3
167.03511	76.8
168.03880	4.3
179.03506	2.0
191.03511	9.8
191.05588	6.2
197.04544	3.2
205.05063	1.8
209.04530	4.6
221.04649	2.2
231.27832	1.3
233.04485	3.4
233.06708	4.0
251.05620	7.3
275.05682	3.8
293.08792	24.9
329.08820	3.8
353.08630	3.6
371.09827	1.7
413.10901	54.8
414.11218	6.2
443.11871	1.8
455.15131	1.4
533.15094	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	533.2963
Annotation	fatsicarpain B
Peak:m/z	Relative Intensity
55.01876	0.5
57.03443	0.8
58.00593	0.8
59.01378	28.8
60.01706	0.4
61.98830	0.5
69.03464	0.8
69.12040	0.1
71.01383	15.9
71.05026	0.2
71.29852	0.2
72.01736	0.2
72.99313	1.3
73.02950	13.1
74.03294	0.2
75.00887	0.3
81.03455	0.3
83.01389	3.3
83.05032	0.3
84.01726	0.1
84.02177	0.2
85.02956	3.3
86.00100	0.5
86.03268	0.1
87.00883	3.0
89.02450	5.2
90.02759	0.1
93.62601	0.1
95.01387	0.7
95.05027	0.1
96.96024	0.2
97.02966	0.8
97.06570	0.1
99.00885	0.8
99.04562	0.2
99.08170	1.0
101.02453	11.5
102.02791	0.3
110.07314	0.1
111.00880	0.1
111.04562	0.1
113.02459	3.7
113.09758	0.2
117.01965	0.1
119.03508	1.4
123.08208	0.1
124.01665	0.2
125.02457	0.7
125.09757	0.6
127.11334	0.6
129.09209	0.2
131.03502	0.4
131.35268	0.1
135.11823	0.1
139.11282	0.4
141.12956	0.1
143.03517	0.2
149.04608	0.1
149.09734	0.1
150.10501	0.1
151.11288	0.1
153.09158	0.1
153.12910	0.2
154.45892	0.1
155.03725	0.1
155.10776	0.2
155.14453	0.2
161.04562	0.3
163.11301	0.8
165.12865	0.4
167.10788	0.3
167.14426	0.4
168.11494	0.2
171.10271	2.0
171.11690	0.1
172.10648	0.1
174.77182	0.1
175.11319	0.1
181.12363	0.5
182.13033	0.1
183.13919	1.0
184.14212	0.1
185.11824	0.2
191.14482	0.1
193.12352	0.7
195.13927	0.1
199.13438	0.1
209.11848	1.0
211.13396	6.1
212.13707	0.4
229.14447	4.0
229.16780	0.2
230.14787	0.3
247.20508	0.1
249.22260	0.8
250.22693	0.1
273.22186	0.1
277.21744	0.1
291.19635	0.2
293.21213	11.1
294.21585	1.4
307.22705	0.1
309.20642	0.1
311.22272	5.9
312.22598	0.7
313.03412	0.1
313.23993	0.2
314.04196	0.1
317.21332	0.2
328.05981	0.1
329.06595	0.2
329.23322	9.1
330.23630	1.2
335.22321	0.3
353.23236	0.2
371.24521	0.1
426.83054	0.1
455.26398	0.1
473.27539	4.2
474.28000	0.8
482.71887	0.1
491.28568	8.8
492.28891	1.3
515.28296	0.3
533.29590	100.0
534.29956	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	533.1662
Annotation	Amurensin
Peak:m/z	Relative Intensity
57.03441	0.9
59.01379	6.8
61.98836	4.2
70.56209	1.3
70.56599	1.4
71.01384	3.3
73.02914	1.3
83.01390	0.8
85.02962	1.5
89.02474	1.4
93.03459	1.3
96.96046	1.3
98.20543	0.8
99.00877	0.7
101.02480	3.0
108.02219	0.8
113.02464	2.0
113.09307	0.6
119.03485	0.6
119.05056	1.1
121.02988	8.8
123.04516	1.5
127.00391	1.0
127.49835	0.6
133.02968	0.7
134.03723	0.7
135.04530	1.5
136.01752	0.6
145.02942	2.1
146.03723	0.7
147.04549	6.5
148.05313	6.9
149.02444	0.6
150.03256	0.9
151.04001	0.8
159.04520	1.0
160.05341	1.2
161.04576	0.9
161.06075	1.4
162.03241	1.6
162.06859	0.7
163.07652	1.0
165.05630	1.4
173.02440	0.6
176.04836	3.5
179.05775	0.7
180.04300	1.1
189.00360	1.0
189.05667	0.6
190.06348	0.7
190.25919	0.7
191.03514	9.1
191.05492	1.3
191.07130	12.7
192.04230	2.5
192.07495	0.8
192.46928	0.7
193.05026	1.0
194.05800	1.9
195.08177	1.3
206.05856	2.4
207.06496	1.1
207.08203	1.7
209.06155	2.0
209.08115	1.4
210.06862	0.9
211.07709	1.7
220.03760	4.0
221.06145	2.7
222.06844	2.3
223.07683	4.0
223.83501	0.7
224.03200	1.8
232.05519	0.7
233.04500	1.9
233.06439	1.0
234.05081	1.2
234.07117	1.1
235.06073	3.7
235.07776	2.4
237.05527	2.2
238.04544	6.1
239.05086	0.9
239.07147	8.0
247.03818	0.8
248.04893	1.2
249.05585	5.0
250.06279	2.5
251.07123	14.0
252.07686	2.4
253.08681	2.2
261.05542	1.6
262.06287	2.7
263.07138	7.2
264.07806	4.0
265.05048	4.2
265.08633	2.0
266.05832	12.6
266.08801	1.4
267.06583	33.3
268.07083	3.9
275.07593	0.7
276.04440	0.8
277.05084	3.2
277.08646	1.2
278.05795	2.0
278.09293	1.2
279.06613	23.9
279.09787	0.9
280.07111	2.9
281.08182	9.4
282.08963	19.5
283.09338	2.1
293.04868	1.1
293.08163	2.6
294.05322	21.2
294.08936	9.0
295.05994	9.5
295.09497	1.9
296.06653	1.1
296.10312	1.6
297.07861	1.3
297.11249	7.8
306.04956	0.7
307.06079	3.0
308.06903	2.0
309.07672	32.1
310.04715	1.4
310.08270	7.3
311.05627	1.6
311.08981	1.0
321.07736	3.5
322.08411	8.2
323.05649	21.3
323.09161	2.2
324.05927	2.0
325.07227	5.6
326.07901	13.4
327.08417	2.8
327.12375	3.4
337.07269	3.2
338.07941	41.3
339.08356	5.7
340.09476	3.7
341.10300	81.4
342.10599	8.6
353.10297	97.0
354.10614	12.2
371.11343	100.0
372.11719	13.6
395.11273	2.2
427.19760	0.7
455.15063	0.6
489.23428	0.9
503.15472	2.7
533.16626	32.8
534.16852	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	533.1719
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	1.1
59.01377	1.7
60.99319	0.1
61.79870	0.1
67.01892	0.5
69.62225	0.5
69.62658	0.4
71.01382	5.1
72.99306	0.3
73.02940	0.3
75.00872	0.2
79.43314	0.1
81.03467	0.3
83.01403	0.2
83.05029	0.3
85.02956	8.5
87.00882	3.9
89.02437	0.7
90.55373	0.1
92.92812	3.7
92.95992	0.1
93.03467	2.3
96.79398	0.1
98.20733	0.2
99.00912	0.2
99.04525	0.3
101.02443	0.8
108.90202	0.2
109.02995	0.7
111.00909	0.2
111.04526	0.8
113.02442	0.4
115.00389	13.2
116.00743	0.6
116.07176	0.3
116.97311	0.3
117.00864	0.3
118.05109	0.4
119.03503	0.5
127.04031	2.0
129.01953	1.7
133.01457	1.0
134.93925	0.1
147.02995	0.9
148.94989	0.5
155.03590	0.2
171.03032	0.5
173.04568	1.0
188.93680	0.7
190.93369	7.9
191.01996	2.4
191.05620	100.0
191.98381	0.3
192.05963	4.9
201.61568	0.1
341.10944	1.5
377.08490	0.3
379.08478	0.4
399.06656	0.3
533.15198	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.143
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	0.4
59.01381	3.7
61.98834	1.7
65.87296	0.2
69.53407	2.3
69.53812	0.6
71.01395	2.0
73.02949	0.8
74.13160	0.3
84.40554	0.3
85.02961	0.7
87.00868	0.5
87.04469	0.3
89.02451	1.8
93.03483	0.4
96.96021	0.8
99.00900	0.5
101.02452	1.0
113.02452	0.6
116.92883	0.5
125.02480	0.6
128.03568	0.6
130.04204	0.4
131.03482	0.3
135.04570	0.4
140.20985	0.2
140.24551	0.3
143.04648	0.5
145.03009	0.3
146.03754	0.4
149.04623	1.6
152.50291	0.3
160.01674	3.8
161.04587	0.3
173.02412	0.3
174.03232	8.2
175.03516	0.4
191.05602	0.3
203.07153	100.0
204.07471	7.9
233.06793	0.4
268.10434	0.3
293.08755	6.0
294.09128	0.4
329.06500	6.1
330.06772	0.5
371.24124	0.4
420.35220	0.4
449.14703	0.5
473.27850	0.4
533.14227	3.0
533.29950	4.6
534.29309	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1509
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	0.7
57.03441	1.4
59.01366	2.2
61.98820	1.6
68.99807	0.6
69.03461	1.5
69.93832	2.3
71.01383	2.1
73.02950	1.1
81.03468	11.0
83.01393	11.1
85.02966	1.2
89.02451	0.6
91.05540	0.8
93.03460	2.3
95.01395	3.1
95.05035	4.5
96.40385	0.5
96.44789	0.5
96.96027	0.7
97.02966	6.1
99.04537	5.5
101.02463	1.6
101.63127	0.5
102.64997	0.5
107.05032	1.0
108.02180	0.5
109.02984	3.4
109.06599	0.6
111.00878	0.8
111.04556	2.8
113.02486	2.5
116.92885	0.8
119.05056	1.2
121.02975	4.2
121.06628	1.6
123.00939	0.9
123.04544	25.5
124.01656	0.7
124.04867	1.4
125.02467	26.6
125.06111	1.0
126.02810	1.1
127.04101	0.5
135.04536	3.3
137.02466	6.9
137.06082	3.4
139.04025	4.3
147.04539	1.7
148.11456	0.5
149.02448	1.2
149.06076	1.1
151.04044	4.5
153.05600	3.3
155.03500	1.6
161.06117	0.9
163.04080	2.4
165.01971	1.6
165.05611	3.7
166.02724	1.0
167.03514	40.5
168.03845	1.9
168.51376	0.6
175.04070	0.8
177.01936	1.3
177.05624	1.0
179.03510	10.6
179.07056	0.6
180.03914	0.6
181.05054	2.2
191.03502	3.2
191.05602	1.8
193.05101	2.0
197.04558	11.4
198.04872	0.8
205.04985	0.6
207.02963	1.2
209.04558	100.0
210.04878	6.2
221.04562	4.3
223.06151	0.9
233.04579	1.1
239.05605	61.5
240.05859	4.6
251.05563	4.2
269.06635	21.6
270.06857	1.5
281.06561	2.6
293.06674	24.3
294.06992	2.0
299.07727	0.7
305.06650	1.7
311.07721	3.8
312.07944	0.6
323.07721	22.2
323.11572	1.1
324.08078	1.7
329.08786	13.9
330.09137	1.1
335.07712	1.3
341.08893	2.7
353.08801	5.2
354.09167	0.8
359.09854	2.9
395.09741	4.0
396.10077	0.6
413.10889	20.9
414.11148	2.1
425.10873	2.1
431.12207	0.6
443.11765	3.3
449.12955	6.2
450.13602	1.0
512.26617	0.5
515.13922	2.6
533.15070	93.2
534.15369	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	533.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03486	0.8
59.01381	11.8
61.53849	0.5
61.98832	19.8
66.86443	0.4
69.47045	1.6
69.47471	3.0
71.01396	4.1
72.00370	0.5
72.99344	0.5
73.02945	2.7
78.98969	0.6
83.01424	0.9
84.39777	0.5
85.02997	1.1
88.98862	0.7
89.02509	1.7
91.08895	0.5
93.03516	0.5
96.96069	1.2
98.20573	0.8
99.00993	0.5
99.04592	0.9
101.02448	3.9
111.96618	0.4
113.02536	1.6
119.03555	1.0
119.05073	0.7
121.02982	3.2
125.02555	0.5
130.91066	0.5
145.03004	0.8
147.04593	0.8
149.04645	0.9
160.05373	0.8
161.04648	1.9
189.00505	0.5
191.03503	0.6
191.05704	1.2
191.07292	1.0
192.04266	0.8
193.05093	0.8
195.04572	0.5
195.08208	1.0
200.79997	0.6
207.08205	1.7
209.06090	1.3
211.07759	1.5
219.08186	0.6
221.06342	1.9
222.07005	0.7
223.07684	2.7
223.13449	1.1
224.04865	0.8
225.05548	1.3
233.06175	0.9
234.06749	1.0
235.07692	2.6
237.05635	1.9
238.06357	0.8
239.07144	5.1
247.07755	0.6
249.05510	3.1
250.06371	2.3
251.07126	12.7
252.07742	1.7
253.08977	0.9
261.05515	1.4
262.06387	1.8
263.07141	8.6
263.09946	0.7
264.07800	3.4
265.05087	1.0
265.08679	1.9
266.05811	2.5
267.06613	24.6
268.07037	2.4
276.07904	0.6
277.05185	1.3
277.08694	1.2
278.05780	1.4
278.09259	1.0
279.06616	21.1
280.07077	2.4
281.08270	2.3
282.08972	12.4
283.09351	1.5
293.04926	0.7
293.08289	1.6
294.05359	6.9
294.08981	7.7
295.06134	8.3
295.09268	0.9
296.06799	1.7
297.07819	1.6
297.11395	5.7
297.16919	0.6
298.11484	0.5
306.05280	1.0
307.06238	4.0
308.06744	2.0
309.07767	10.8
309.11359	1.6
310.08350	4.5
311.05661	2.7
311.09216	1.7
312.09995	1.4
321.07864	1.4
322.08466	10.0
323.05640	22.1
323.09164	2.6
324.06018	2.3
325.07108	1.1
326.08008	9.5
326.11560	0.8
327.08624	0.9
327.12332	6.4
328.13089	0.7
337.07166	2.1
338.07938	21.5
339.08328	2.4
341.10318	63.6
342.10611	7.8
353.10306	100.0
354.10672	12.2
371.11264	7.4
372.11462	0.7
427.19745	0.9
489.17618	0.9
530.54797	0.6
530.62476	0.6
533.16852	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	532.262
Annotation	Unknow
Peak:m/z	Relative Intensity
57.75392	0.6
59.01368	2.1
61.98822	3.0
67.12091	0.5
70.69717	0.6
70.70057	1.4
71.01010	0.9
71.01386	15.2
73.02964	1.3
73.03682	0.8
73.04072	11.1
83.02527	0.8
84.00896	0.6
85.04093	1.5
88.04050	16.6
89.02424	0.6
89.04384	0.6
96.96014	1.1
98.20641	0.7
101.02425	0.8
103.05139	3.2
110.03584	0.7
112.05172	2.4
113.03579	4.3
114.01976	0.7
115.00386	21.4
115.08770	2.3
119.05112	0.6
121.03028	0.7
125.07236	0.6
127.00343	0.9
129.10361	5.6
130.06238	18.6
130.08754	9.8
132.03043	13.9
135.04486	0.6
137.07266	1.3
138.05646	1.2
139.08751	1.1
140.07196	1.2
142.06230	1.5
154.09872	1.6
155.08246	2.4
157.13437	0.7
160.07286	3.9
163.04015	2.3
166.08716	0.8
168.11443	3.3
172.10893	1.5
175.02470	1.3
178.11046	0.8
183.11317	0.7
183.14986	0.7
185.16602	1.9
186.12462	1.2
189.00410	1.3
191.05701	2.9
193.13466	13.4
194.13774	0.8
201.12451	1.6
210.16129	11.5
211.12057	3.7
211.14426	2.1
211.16301	1.0
212.10341	1.4
224.08066	0.6
227.10378	0.9
228.17175	13.9
229.13069	0.9
229.15373	1.2
242.18776	1.5
250.15646	1.4
253.04729	0.7
254.15085	1.0
256.20346	1.3
267.18222	4.9
268.09058	0.8
285.19293	4.8
293.19772	0.5
299.21005	0.7
300.19128	1.1
324.20389	9.4
342.21457	27.8
343.21371	2.3
343.25763	0.5
354.21497	2.1
372.22537	11.0
373.20871	12.1
374.21243	1.8
399.22760	0.7
414.23553	1.6
416.25095	1.1
417.23538	11.5
418.23608	1.2
444.24738	3.4
445.24301	0.6
470.22440	1.5
488.23581	17.8
489.23767	2.4
514.25073	5.2
515.25641	0.8
522.29767	0.6
532.26178	100.0
533.26495	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	532.1303
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	0.4
58.00592	0.3
59.01377	12.7
61.98830	100.0
62.98535	0.4
69.03452	2.4
69.44466	0.3
70.07264	1.7
71.01388	8.9
71.05022	3.2
72.99337	0.3
73.02949	8.7
75.35640	0.3
83.01390	2.5
85.02964	0.3
87.00899	0.9
89.02467	0.9
89.86698	0.3
96.96028	1.7
97.03000	0.3
98.20589	0.6
99.00917	0.5
99.04563	0.3
101.02454	7.3
105.03447	0.4
113.02447	1.9
117.70370	0.3
121.02969	4.6
122.03371	0.3
123.04545	0.3
125.02457	0.9
130.08806	0.6
131.03571	0.3
134.03752	1.0
143.03555	0.7
143.64571	0.3
147.00955	0.5
149.02519	0.3
149.09764	0.3
155.03552	0.7
161.02469	16.4
161.04617	0.9
162.02855	0.8
165.02016	1.0
177.09212	0.7
189.01939	7.2
191.05647	0.4
198.03214	0.3
201.11349	0.3
203.03796	0.4
203.05673	0.9
219.02979	1.7
221.08200	17.1
222.08601	1.1
226.02652	0.4
231.02974	0.7
242.02187	1.9
243.03067	0.7
253.04906	0.5
254.02286	1.4
257.04675	1.2
269.04575	1.0
270.01678	2.7
271.02551	1.4
285.04059	2.1
298.01349	0.6
299.01895	2.3
313.03510	11.1
314.04288	3.6
328.05884	5.8
329.06668	15.2
353.61697	0.3
382.16879	0.3
489.14355	0.3
511.40085	0.3
531.27966	1.4
532.18646	0.6
532.27747	1.1
533.12958	6.4
533.29901	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	531.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02967	0.4
59.01392	1.7
59.01643	0.4
61.98827	4.1
70.58605	0.5
70.58987	0.6
71.01385	0.8
71.79678	0.3
72.24538	0.3
72.99312	0.5
73.02952	1.4
74.02484	0.9
78.94208	0.3
79.40388	0.3
82.03000	0.3
83.01415	0.9
85.02987	0.3
87.00880	0.4
89.02431	0.4
93.03465	0.6
96.04552	0.9
96.95998	1.2
99.00882	0.7
99.05679	0.3
101.02430	0.5
108.04590	0.4
109.02999	0.4
112.30905	0.4
114.59668	0.3
116.92914	0.4
124.03999	0.4
125.02466	0.4
125.03598	0.9
127.00404	2.0
134.07367	0.5
135.04559	0.4
137.07156	0.4
139.05124	0.4
140.07198	0.4
142.99783	0.3
143.04674	0.4
147.04506	0.3
148.01685	0.4
152.03468	0.5
155.08263	0.9
158.10088	0.3
160.00706	1.5
160.04034	0.4
161.02470	0.7
161.06009	0.5
162.05667	0.5
162.06882	3.6
163.03989	0.9
164.04794	3.5
165.06699	1.0
166.26103	0.4
175.04033	0.4
181.06218	0.5
189.00400	2.9
191.05545	2.6
191.07162	3.2
192.04305	9.2
193.04662	0.5
205.05080	1.8
206.05933	3.7
207.06624	30.0
208.06970	2.5
209.05693	0.8
219.06612	0.5
221.04568	0.7
221.08192	5.2
225.05196	2.2
226.05473	0.3
229.01450	1.0
234.05315	1.0
237.07707	0.4
238.04788	6.7
249.07642	5.2
250.07939	0.6
252.13803	0.4
253.04625	5.3
265.07159	1.2
267.08710	100.0
268.09079	8.0
271.05756	3.1
277.04895	0.3
277.11679	0.4
287.03439	0.8
295.06070	0.6
305.04480	6.3
339.04919	2.7
364.05188	0.3
531.16541	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.9
57.03448	66.2
59.01378	100.0
60.01714	2.2
61.98833	16.9
71.01388	26.9
71.61234	1.7
72.99315	2.7
73.02955	10.3
75.00874	2.7
81.03458	1.9
82.95416	2.5
83.01403	5.1
83.05038	1.8
85.02955	10.1
87.00892	4.4
88.98814	1.0
89.02462	16.1
93.03481	1.7
95.01394	2.3
96.96021	10.0
98.95619	3.1
98.96428	0.9
99.00899	4.7
99.04532	81.7
99.92593	24.7
100.04862	2.2
100.92596	1.9
101.02457	37.2
102.02782	1.1
103.34108	1.1
113.02466	12.3
115.92088	29.5
116.92266	2.0
116.92878	55.6
117.92924	2.3
118.92600	1.0
119.03516	7.1
123.08124	1.0
125.02469	38.8
127.00382	2.3
128.03560	1.7
131.03494	1.2
142.94427	4.1
143.03505	4.6
143.04584	1.8
149.04649	2.2
161.04552	4.2
161.05901	1.5
164.07091	1.0
165.68057	0.9
172.61960	0.9
173.04462	1.7
179.05630	3.2
189.00375	2.3
191.05611	4.1
195.13910	2.3
202.58800	1.1
205.27898	1.0
207.13898	1.6
209.11855	1.4
224.94823	0.8
225.14859	4.4
226.96709	1.3
230.02789	1.0
242.96036	0.9
266.05807	2.1
269.14056	1.5
294.05319	4.2
295.06079	2.3
300.02893	1.1
305.04724	1.6
307.06461	4.3
308.06689	1.1
309.07669	7.1
310.08340	2.1
324.10007	3.8
325.10849	5.0
335.05820	3.0
350.04288	1.6
351.05289	3.0
367.05386	1.2
369.19171	18.8
369.23233	0.8
370.19714	2.1
387.20267	30.0
388.20557	3.4
398.17252	1.0
407.90002	1.1
425.00049	1.2
429.21283	18.8
430.21533	2.6
431.19125	4.4
451.10550	3.3
468.30707	2.6
469.24438	2.9
487.15833	9.4
487.21078	0.6
488.16229	2.1
531.11743	14.6
531.24042	18.6
532.12085	3.4
532.24780	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	530.3013
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08213	0.2
50.80293	0.2
53.07961	0.2
59.01373	0.7
60.99287	0.2
61.98821	1.5
66.13732	0.2
67.73558	0.2
71.01376	0.8
72.99303	0.4
75.00877	0.8
75.96971	0.2
78.95906	19.9
85.02951	0.9
87.00905	0.2
88.98817	1.3
89.02457	0.6
95.01394	0.2
96.96965	0.2
98.19914	0.7
99.00871	0.2
103.76035	0.2
113.02460	1.0
114.02843	0.2
117.01916	0.2
122.98518	0.4
129.26756	0.2
152.99590	3.9
159.18628	0.2
168.04317	3.3
194.05801	0.3
224.06926	8.2
225.07358	0.4
242.07980	1.7
255.23279	100.0
256.23618	10.7
279.23218	1.6
280.23575	2.0
332.92508	0.2
381.61084	0.2
391.22803	0.3
459.93225	0.2
480.30914	67.8
481.31253	10.1
530.30432	5.5
531.30750	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	1.2
59.01379	11.6
60.95438	0.3
60.99292	0.6
61.98833	4.3
66.20526	0.3
67.01885	1.7
69.03455	0.4
70.76486	0.9
70.76839	0.3
71.01387	3.7
73.02966	1.8
75.00874	0.4
77.03960	0.3
79.55219	0.3
81.03460	0.4
83.01402	0.5
83.05066	0.7
85.02950	4.0
87.00874	2.8
88.98800	0.4
89.02460	1.0
89.06082	0.4
93.03472	12.4
94.03789	0.4
96.96005	1.2
99.00884	0.8
99.04547	0.9
99.92608	1.2
101.02451	1.8
105.03449	1.2
108.02182	1.1
109.02986	0.7
111.04571	1.7
113.02473	0.9
115.92093	1.9
116.92877	2.4
121.02986	3.3
123.04563	1.5
127.00394	0.5
127.04026	1.1
129.02023	0.4
132.02187	1.4
133.02969	6.9
134.03763	0.8
135.04532	2.3
137.02449	0.4
143.03487	0.4
147.04507	0.3
148.01683	0.4
149.02432	1.3
149.06110	5.1
155.03607	0.4
160.01677	3.2
161.02477	5.9
161.04552	0.5
162.02779	0.6
173.04579	3.7
175.03996	0.6
176.01172	4.7
177.01944	100.0
178.02312	6.0
179.03473	0.6
179.05656	0.3
179.07193	0.4
189.00439	0.9
191.05626	46.6
192.05974	2.3
193.05061	0.9
206.87628	0.4
209.08183	3.2
215.05580	1.8
222.15036	0.3
234.15038	0.9
237.07645	0.9
251.91318	0.3
273.31595	0.3
285.04089	0.4
309.20688	0.3
321.06247	1.1
333.20892	0.6
335.06052	0.4
339.08820	10.3
340.09079	0.9
343.42587	0.3
345.77948	0.3
351.07257	4.2
352.07758	0.4
357.09912	0.9
381.08109	0.8
381.12018	1.2
460.95325	0.3
513.14630	0.5
531.15082	23.6
531.27325	1.9
532.15619	4.3
532.23291	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.2902
Annotation	Unknow
Peak:m/z	Relative Intensity
56.16306	0.8
58.02972	7.4
59.01369	2.4
61.98830	4.7
69.80948	1.6
69.81359	3.8
70.02982	2.3
71.01381	1.8
73.02950	2.3
74.02477	16.0
78.95918	1.2
81.04577	1.0
82.03010	1.8
83.01394	1.1
83.30038	0.8
85.04089	0.8
86.02483	6.3
86.99107	1.3
87.05625	4.9
90.00222	1.3
96.04570	0.8
97.04089	1.5
98.20668	1.2
99.00932	0.8
99.05653	14.0
101.07215	2.5
102.05622	1.6
107.06143	1.3
109.04083	1.6
109.07760	0.9
111.05710	1.2
112.04057	2.1
116.01816	1.2
116.92867	1.2
120.01247	0.9
123.05701	1.8
125.03600	2.4
127.00358	2.5
127.05191	4.0
128.03563	40.8
135.05681	2.7
136.46825	0.8
141.06737	3.4
143.04646	52.3
144.01213	1.0
144.05051	1.7
145.06277	1.8
146.04651	4.3
153.06709	3.6
160.00769	13.8
166.09813	1.4
167.04581	3.8
167.08258	1.3
177.03465	5.7
179.04645	11.0
185.05675	2.0
189.00444	2.3
197.05635	2.0
210.08838	9.9
242.07758	1.5
249.18442	1.5
254.07794	14.3
254.10291	1.4
272.08841	24.6
273.09137	1.4
288.06573	10.4
294.21616	1.1
306.07654	100.0
307.07898	7.0
325.14340	1.6
390.38351	0.8
391.11078	0.9
505.32336	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24258	0.2
57.03452	0.2
59.01375	0.3
61.98832	100.0
62.98563	0.2
70.13364	0.9
73.02949	0.2
85.80073	0.2
87.00920	0.2
93.03474	0.7
96.96021	0.5
99.00880	0.2
116.92875	0.8
126.09302	0.6
127.00368	0.2
134.03716	0.2
138.05676	0.2
144.04594	0.3
173.04547	0.4
175.06236	0.4
177.01959	0.7
189.00417	0.4
191.05608	1.2
193.05132	0.3
203.29031	0.2
216.30754	0.2
241.39478	0.2
248.13000	0.4
269.12787	0.2
304.15591	0.5
349.02475	0.4
356.42212	0.2
367.10483	0.3
409.19635	0.2
453.19196	0.3
466.20737	0.3
471.11377	0.2
506.79779	0.2
529.15558	0.7
529.25922	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.1665
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	88.5
58.03805	1.7
59.01377	53.8
61.98841	7.9
68.01419	8.2
69.03478	1.7
71.01384	35.4
71.47269	1.9
73.02945	10.5
78.95932	1.6
79.95788	1.9
81.03464	5.0
83.01396	6.0
85.02956	16.4
87.00858	2.1
89.02457	2.8
91.75857	1.4
93.03465	9.0
95.01383	1.7
96.29168	1.4
96.96025	24.0
97.02953	2.8
99.00890	7.0
99.04529	100.0
100.04849	3.9
101.02457	36.4
102.02763	1.3
110.02508	4.9
113.02452	14.6
121.02970	1.8
125.02464	68.9
126.02781	2.7
127.00371	3.2
129.02032	1.6
141.71840	1.7
143.03520	5.6
154.06247	2.2
159.02957	3.4
159.04486	1.6
161.04579	64.5
162.04948	2.2
188.05656	16.9
189.00368	3.9
191.05580	2.9
203.05606	5.5
205.03419	1.8
209.11899	2.7
213.05511	2.2
223.06195	2.2
227.07137	13.3
230.06709	14.0
239.07108	21.8
240.07446	2.0
243.08755	2.5
250.08792	8.6
267.06628	4.2
281.08221	5.5
342.99875	3.8
355.24561	1.9
368.11490	8.7
386.12305	7.5
530.16638	3.9
531.16907	1.8
531.28546	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	529.193
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	0.9
59.01379	32.3
61.98840	1.9
67.01902	0.4
70.79485	1.1
71.01379	2.6
73.02945	0.8
78.98573	1.7
79.07192	0.4
79.95752	2.1
80.62263	0.3
80.96525	14.0
85.02937	1.2
87.00892	0.6
88.98812	0.4
89.02406	0.4
94.98102	3.5
96.96001	1.2
97.02940	0.6
99.00873	0.6
101.02460	1.1
102.99045	0.3
106.98109	0.4
121.02909	0.6
122.97607	0.6
125.02440	0.8
127.00343	0.7
134.97568	1.1
141.01733	1.5
144.70792	0.3
147.04523	0.4
148.99120	1.4
152.98631	0.8
158.89363	0.5
161.02403	0.6
161.06064	1.4
162.06831	0.5
163.07597	0.5
164.04585	0.4
164.98624	2.4
175.03949	1.0
176.04767	2.3
178.02281	0.4
178.06364	0.5
179.03561	0.5
179.07202	1.7
189.00464	0.5
189.05583	19.6
190.06360	15.2
191.07005	0.9
193.05035	0.9
205.08536	0.4
206.99677	0.7
225.00764	5.0
229.14540	0.6
230.09521	1.0
231.10268	6.8
232.10634	0.7
233.08089	2.1
248.10529	46.9
249.10893	4.6
263.05566	0.6
263.12869	13.9
263.15677	0.7
264.13220	1.4
268.12112	0.6
269.12503	0.5
292.09534	10.2
293.10187	5.9
299.04492	0.7
301.11404	0.4
307.11865	100.0
308.12207	10.8
341.12302	0.6
391.19083	0.4
409.19446	1.5
453.18625	2.7
454.18851	0.3
455.15863	0.5
529.19611	24.6
530.12183	0.6
530.19958	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	527.2987
Annotation	Milbemectin
Peak:m/z	Relative Intensity
57.16767	4.5
59.01378	100.0
61.98831	61.6
69.78136	4.5
78.95908	50.7
79.50435	4.8
99.92600	5.6
105.15794	3.9
116.92899	6.0
152.99600	57.7
162.84926	4.3
197.02132	20.6
255.23270	86.0
256.23529	9.5
271.05804	6.2
271.37979	4.7
351.61404	4.0
527.29950	86.7
528.29736	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	528.1983
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	3.6
61.98820	3.3
66.95813	1.0
71.01375	1.5
71.56901	1.2
72.80813	0.9
85.02953	1.0
96.95995	1.8
99.92581	1.0
101.02458	1.5
108.04594	1.5
108.36662	0.9
110.06127	3.8
110.58571	1.2
115.00322	1.1
115.92009	0.9
116.92839	1.3
118.06644	1.8
119.20047	0.9
121.02882	0.9
121.05364	6.9
122.06156	6.2
122.73663	1.0
127.00331	1.4
138.05640	1.5
146.06137	4.1
169.08896	1.2
176.01105	1.2
177.01929	7.3
178.02312	6.1
179.02397	2.9
179.07097	2.9
181.08699	1.0
189.13120	0.9
191.05563	1.7
193.05084	2.7
196.07715	1.3
211.08675	1.2
224.10828	0.9
224.49843	1.2
225.10278	3.2
225.11906	1.5
238.07408	1.5
239.08159	9.9
252.09016	4.0
253.04672	3.5
253.09808	52.9
254.10271	7.2
255.11392	2.8
257.10550	2.7
265.07126	1.0
265.09714	1.4
267.11362	26.8
268.12134	60.5
269.12463	6.0
271.05655	2.6
271.10889	1.8
282.10144	3.0
299.10178	1.2
300.11157	28.5
301.11597	3.7
312.11038	1.3
341.12082	1.0
355.10318	1.4
378.18204	14.0
379.18378	2.2
383.08884	2.5
384.09027	3.1
390.18225	41.1
391.18579	7.2
408.19266	39.8
409.19507	6.2
422.20908	3.4
423.21130	1.1
426.10477	1.1
434.17087	14.5
435.17322	2.2
440.21759	9.5
441.22287	1.2
451.57367	1.0
452.18246	100.0
453.18579	17.2
484.20935	49.3
485.21262	9.6
529.15417	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	529.1558
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	1.7
59.01386	2.3
60.99307	5.3
61.98831	100.0
62.16751	0.8
65.03988	0.7
67.01894	13.7
69.03450	3.8
69.28003	0.7
69.40957	6.5
69.43422	0.6
71.01389	5.2
72.56618	0.7
78.95925	2.0
81.03484	2.0
83.05045	1.9
85.02972	1.8
86.25909	0.7
87.00881	19.0
87.01381	1.1
91.19446	0.7
93.03468	96.0
94.03812	2.9
96.96019	3.0
96.96991	2.6
99.00900	2.5
99.04537	2.1
111.04537	13.0
113.02454	1.9
115.04038	1.8
116.92856	2.6
124.04120	0.8
125.02411	0.7
129.01982	2.4
134.03770	13.7
137.02466	1.6
143.03516	1.0
144.04572	26.4
145.04860	0.8
149.06088	4.3
155.03548	2.8
163.53815	0.7
173.04565	58.7
174.04939	2.1
175.06131	4.8
177.01978	1.9
178.02657	3.3
188.03534	15.8
191.05627	16.3
192.05916	1.1
193.05070	12.1
194.05321	0.9
337.09222	1.1
340.07452	0.8
367.10376	5.3
529.15570	81.6
530.15997	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	529.1561
Annotation	Pikuroside
Peak:m/z	Relative Intensity
57.03442	1.4
59.01378	1.4
60.99309	3.9
61.98814	0.6
65.03927	0.5
67.01891	8.7
69.03450	2.5
69.82877	3.1
71.01389	3.6
79.38339	0.5
81.03456	1.7
83.05023	1.4
84.70989	0.5
85.02947	4.8
87.00883	12.3
93.03467	63.6
94.03785	1.9
98.20693	0.4
99.00905	1.1
99.04514	0.9
101.02443	0.6
109.02956	1.0
111.04524	8.2
113.02474	0.7
115.04037	0.6
116.92917	0.6
121.02962	0.7
124.04046	1.1
127.04035	1.1
128.03593	0.7
129.01965	1.6
134.03754	15.6
135.04425	0.6
137.02478	3.0
138.05582	1.5
139.04068	0.5
144.22360	0.4
145.02959	0.6
148.07738	0.5
149.06093	5.6
155.03528	2.7
156.06651	1.3
173.04570	18.5
173.06075	0.9
174.04839	0.7
175.03990	0.9
178.02736	9.1
179.03250	0.5
184.73537	0.5
191.05623	100.0
192.05962	3.7
193.05070	24.4
194.05394	1.6
255.11227	0.7
269.13000	0.5
283.54507	0.5
303.13528	0.7
308.92508	0.5
367.10345	19.3
368.10629	2.1
409.11435	2.3
486.18741	1.6
529.15558	84.8
530.15942	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	527.0863
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	8.9
61.98834	3.2
71.01392	1.9
71.69524	0.7
73.02943	1.1
78.95896	0.6
79.95741	2.8
80.96528	1.6
83.01378	0.7
85.02953	1.3
95.95257	0.8
96.96022	100.0
99.00874	0.8
101.02459	1.3
103.00396	1.2
108.31082	0.5
113.02535	0.6
115.92065	0.6
126.46102	0.6
138.97081	1.2
154.06268	1.0
157.84221	0.5
175.97345	0.6
178.82095	0.5
241.00212	0.7
423.07590	1.0
432.29263	0.5
441.08597	64.2
442.08905	6.8
483.09637	54.6
484.09924	8.2
484.72482	0.7
527.08569	16.2
528.08905	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	527.2989
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57465	12.4
55.23265	12.4
58.54229	13.0
59.01373	39.3
59.04233	12.8
61.98832	50.1
62.52993	13.3
70.77883	33.8
74.39313	12.7
78.03389	16.5
78.95912	42.1
107.75020	14.3
114.33891	13.9
121.50197	15.6
131.70366	12.9
133.51080	14.7
145.05382	13.1
152.99582	62.2
154.74442	13.6
196.40262	16.5
206.16199	14.6
214.58919	13.1
255.23288	100.0
258.32736	13.9
314.78391	15.8
459.22382	15.7
467.31766	89.4
527.29858	66.1
527.33698	83.7
528.34479	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	526.1827
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51487	0.6
57.03437	1.8
59.01387	6.0
61.98832	25.4
71.01385	2.5
71.66280	1.3
72.01419	0.7
73.02963	1.0
80.05084	0.8
80.96542	1.5
83.01405	0.8
86.02489	1.1
89.79716	0.6
91.60542	0.6
93.03474	0.7
94.06612	0.7
96.96017	1.1
99.00933	0.7
101.02457	1.5
101.27728	0.7
105.18936	0.6
106.06640	4.9
107.03787	2.6
110.02500	1.5
112.04049	6.9
116.05090	2.5
116.82269	0.6
119.05032	1.6
120.04578	0.9
120.36498	0.7
122.06133	25.7
123.03286	10.0
123.06452	1.1
124.04080	12.1
124.07752	1.2
125.02450	0.7
127.00415	1.4
127.80365	0.6
132.04581	9.2
134.06140	100.0
135.06487	3.8
136.07698	1.4
138.05632	40.6
139.02827	1.3
139.05969	1.3
140.07208	2.8
146.06207	1.5
152.07191	62.2
153.07501	3.5
163.04013	2.0
166.05139	2.5
176.01369	3.4
177.01945	25.0
178.02296	15.9
179.02423	1.4
179.07092	0.7
182.04623	4.5
183.05377	1.9
184.06172	6.9
188.77234	0.8
189.00371	0.9
200.22804	0.6
212.10786	1.3
215.04280	0.7
223.08701	1.0
239.11908	1.8
245.09331	2.0
255.11375	6.2
267.11340	4.3
271.14621	1.4
273.12292	1.0
297.12427	15.2
297.15488	1.3
298.12793	1.3
299.14001	48.1
300.14307	4.8
325.12079	1.2
343.13126	1.3
364.07556	1.8
376.16495	1.0
381.08276	4.8
382.08597	11.8
382.17432	0.8
383.08853	1.7
393.18069	0.8
410.17194	5.5
420.19235	4.6
421.18704	1.0
422.17242	1.5
423.09186	0.9
424.09824	2.0
425.09595	0.7
427.12329	0.7
438.20398	10.0
439.20578	0.9
450.16956	1.3
464.13126	0.6
464.18274	17.5
465.18607	3.0
482.19308	73.6
483.19678	10.7
510.87286	0.7
527.17853	3.3
550.76355	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.1564
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	1.1
57.03446	2.8
58.00586	1.1
59.01378	31.6
61.98840	5.9
70.25349	4.4
71.01383	29.8
72.99310	15.0
73.02968	5.0
75.00878	62.8
78.95914	1.8
83.01385	2.0
84.14234	1.0
85.02966	12.4
86.87388	1.0
87.00877	6.4
88.04047	1.7
89.01943	1.5
89.02458	21.1
95.01384	1.9
96.96004	2.8
98.20042	1.3
99.00890	2.8
101.02450	17.2
111.00887	2.4
113.02448	12.5
115.00387	6.0
116.05080	67.4
116.92873	1.2
117.01936	1.7
117.05374	2.6
119.03524	7.0
123.04582	1.1
127.00454	1.0
128.05072	12.0
129.01872	1.4
130.06668	8.7
131.03488	1.4
132.04568	1.5
135.03014	49.3
136.03374	1.1
140.05081	3.4
142.06654	1.7
143.03510	1.6
144.04576	2.7
146.06155	1.1
149.04576	0.9
154.06664	4.6
156.04564	1.4
156.08203	5.9
157.05334	4.0
158.06129	89.7
159.06444	5.0
161.04561	20.0
166.06624	4.9
170.06129	1.6
172.04092	4.8
175.02554	4.7
176.01186	4.7
177.01929	31.8
178.02284	22.9
179.02362	1.2
179.05609	3.9
182.06169	1.7
184.07716	14.0
185.08110	1.3
186.05569	1.3
191.05597	1.3
200.07121	1.7
205.03534	1.0
210.05608	100.0
211.05942	7.6
224.07112	1.0
226.05055	6.0
246.07730	3.3
253.05296	1.1
291.07251	1.2
307.99481	1.0
320.11349	7.7
340.78073	1.0
364.07605	1.8
364.14130	13.7
365.14578	1.6
381.08209	5.4
382.08575	16.9
383.08987	3.1
390.11969	9.6
406.11279	5.5
408.13019	97.3
409.13367	13.1
424.09738	4.8
526.28949	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	525.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	0.9
57.03445	1.6
58.00587	0.9
59.01379	34.6
60.01712	0.5
61.98825	2.0
67.01891	3.6
69.03479	0.8
70.98437	1.0
70.98810	0.4
71.01386	24.0
72.01720	0.9
72.99316	1.9
73.02950	21.0
75.00907	0.5
78.95911	0.7
81.03450	1.6
83.01393	5.7
83.05029	4.4
85.02951	3.6
87.00887	1.4
89.02451	12.3
90.02757	0.5
92.30351	0.3
93.03482	1.4
95.01391	0.8
95.05049	0.5
96.96012	1.3
97.02995	0.6
99.00896	4.1
99.04559	0.8
101.02453	16.5
102.02785	0.7
106.04266	0.8
107.05053	5.5
108.02204	0.5
111.00883	0.4
113.02451	5.5
117.03471	0.8
119.03585	1.6
119.05043	52.8
120.05400	2.3
121.02979	0.6
122.06094	0.4
123.04518	0.6
125.02457	1.1
127.00399	0.7
131.03514	2.5
132.61859	0.4
133.02980	0.5
134.03737	4.0
135.04541	21.3
136.04893	1.1
137.02461	1.2
137.09746	0.6
139.72978	0.4
143.03488	0.6
145.03006	2.5
149.02466	1.1
149.04568	7.9
149.06082	0.6
150.03259	3.7
155.10753	1.7
157.10266	1.3
160.01656	0.6
161.02483	1.3
161.04575	1.5
163.04028	63.2
164.04332	3.3
165.05597	3.9
173.02530	0.5
175.04063	0.9
177.01927	1.7
178.02649	0.9
179.03493	0.7
185.06058	1.3
187.11320	0.4
189.00381	0.8
191.05656	2.5
193.05052	5.0
195.06662	1.4
199.09732	3.3
199.18221	0.8
201.09218	25.5
202.09602	2.1
217.05075	1.5
217.10930	0.4
218.05394	1.0
219.05618	0.7
219.10147	0.5
221.06688	0.8
225.16060	0.5
241.12274	0.9
241.14507	0.5
243.17058	0.9
259.13361	3.6
282.09027	0.7
293.08771	0.4
303.12372	9.3
304.12729	1.1
311.09491	0.5
325.09311	4.8
329.10269	8.5
330.10712	0.8
341.10370	1.1
362.29800	1.2
363.14578	4.0
363.29919	0.6
364.14902	0.6
371.11316	0.5
372.35126	0.4
383.11420	0.4
388.54572	0.5
388.59714	0.4
408.15891	0.5
524.35376	9.4
524.85992	6.6
525.19708	100.0
525.35687	5.5
525.86346	0.5
526.20001	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	525.1244
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	3.5
59.01377	8.7
60.01694	0.2
69.43539	1.1
69.43961	0.5
71.01389	0.3
72.85432	0.2
80.62047	0.2
93.03480	0.6
98.20616	0.3
99.04524	2.0
101.02467	0.5
105.03460	0.8
108.02174	1.3
115.23508	0.2
120.02201	0.4
120.36057	0.2
121.02937	0.9
123.04521	0.8
125.02462	0.2
126.10400	0.2
127.03989	0.2
132.02197	0.3
133.02986	2.0
137.65889	0.2
148.01671	0.7
149.02451	1.4
161.02486	0.2
161.04590	1.7
175.03995	0.4
176.01155	12.1
177.01939	100.0
178.02281	5.1
185.70686	0.2
191.03484	0.2
219.02962	0.3
321.06232	0.7
339.07205	0.4
363.07169	6.1
364.07538	0.6
381.08261	40.2
382.08609	4.0
423.09335	11.1
424.09479	1.1
463.12692	1.3
464.12866	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.1609
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	1.3
57.03465	1.1
59.01379	38.2
61.05743	1.3
61.98833	8.9
67.01868	1.1
71.01379	21.3
71.71309	1.1
71.71660	1.1
72.99321	2.2
73.02943	11.7
75.00850	1.5
78.95895	1.7
83.01394	3.4
85.02953	5.7
87.00880	1.2
87.20279	1.0
89.02449	5.1
94.79768	1.1
96.96030	3.2
99.00900	1.0
99.18588	1.0
99.31075	1.1
101.02449	13.6
107.05023	7.9
111.00861	1.2
113.02452	4.7
119.03516	2.3
119.05105	1.1
126.20724	1.1
127.00391	1.4
135.04514	1.8
137.02417	2.2
161.02423	1.7
169.41222	1.2
175.03899	1.2
175.07619	12.0
176.07971	1.1
177.01933	7.4
181.05045	1.5
197.09695	1.5
205.42241	1.1
206.86281	1.0
215.07309	2.0
215.10768	39.1
215.12869	1.9
216.11171	3.7
219.06628	4.5
233.11777	4.3
241.08734	2.4
259.09720	50.0
260.10068	4.6
261.11407	1.6
277.10776	10.6
327.21628	1.5
381.08395	1.6
416.47253	1.3
421.15036	20.0
422.15588	1.9
439.16028	23.8
440.16248	2.7
465.34406	2.2
481.17108	100.0
482.17465	16.5
524.35101	2.0
525.20410	2.1
526.27356	1.4
532.12445	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2678
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	1.6
59.01393	3.1
61.98819	2.8
71.01386	0.6
71.58002	0.9
73.02939	0.9
78.72942	0.7
78.95911	27.7
79.02015	0.6
93.03464	1.8
96.96956	1.6
97.97944	0.5
113.09735	2.5
119.45554	0.7
121.03027	0.6
127.00364	0.9
135.04517	0.9
145.02950	1.2
152.99603	39.9
157.73024	0.7
171.00653	2.4
171.10274	0.8
175.07726	0.8
179.14410	1.4
181.12395	1.3
189.00441	1.6
191.05675	1.3
195.13921	22.0
196.14346	0.7
219.06601	2.4
227.03249	4.5
245.04262	1.0
267.39511	0.8
277.10764	2.3
277.21716	19.7
278.21942	1.9
295.22784	72.9
296.23120	6.0
407.75949	0.6
431.22336	1.1
505.27899	1.2
523.26733	100.0
524.27124	16.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2674
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85899	6.2
57.03446	11.3
59.01382	14.3
61.98831	61.3
69.50985	12.1
69.51391	44.5
71.01393	14.3
73.02956	46.1
74.70655	6.3
78.95914	16.0
83.01392	21.8
96.95989	6.4
98.57524	5.7
99.00907	26.4
101.02444	6.1
116.92780	5.8
127.00385	82.0
133.02943	14.9
152.99632	8.7
177.01990	14.8
178.02705	13.0
186.43468	5.4
189.00441	100.0
190.00668	6.9
200.28629	5.4
211.13362	35.3
223.91121	5.6
249.18588	27.2
277.21701	15.1
279.60086	6.6
295.22772	15.2
301.21823	17.3
309.15033	8.0
394.35822	6.4
523.26782	12.8
537.59784	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	523.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
55.04989	1.0
57.03439	2.2
58.00602	2.6
59.01381	76.7
61.98831	44.8
67.45745	1.1
71.01385	65.0
71.69865	1.5
72.99303	3.5
73.02953	18.9
74.78642	1.1
75.00863	1.7
81.03480	1.0
83.01408	2.7
85.02962	9.3
87.00910	1.4
88.98840	1.2
89.02455	95.8
90.02783	1.5
95.01390	2.1
96.96009	3.3
99.00889	29.7
99.92574	2.5
101.02460	38.5
103.52455	1.1
111.04513	1.4
113.02464	13.7
115.92072	4.6
116.92851	3.1
119.03521	9.8
125.02455	5.8
127.00436	1.3
131.03514	13.5
142.94418	4.4
143.03474	1.9
149.04576	60.6
161.04526	4.5
179.05580	4.6
179.07004	1.8
180.99706	1.7
181.01314	1.1
181.08553	1.3
191.05647	16.7
192.06021	1.1
208.99194	1.2
221.06647	3.8
251.07791	7.3
266.96790	1.1
299.22293	1.4
331.18027	1.2
343.21249	6.2
361.22360	17.8
362.22687	1.8
425.38110	1.1
463.21802	100.0
464.22174	15.1
523.28540	12.8
524.27588	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2183
Annotation	Mascaroside
Peak:m/z	Relative Intensity
55.01869	0.7
57.03436	2.3
57.81643	0.5
58.00580	1.7
59.01377	33.6
60.01710	0.5
61.98832	4.2
71.01382	23.2
71.05019	1.3
71.84195	0.5
72.99302	2.4
73.02949	3.3
75.00872	0.6
78.95924	0.5
83.01384	2.0
83.05031	4.3
85.02964	6.2
86.03271	0.4
87.00877	2.0
88.98801	1.3
89.02451	23.1
93.03474	0.8
95.01385	1.7
95.05041	0.6
96.96017	1.2
97.06599	0.7
99.00876	1.1
101.02450	15.5
101.03116	0.8
107.05032	1.7
107.12614	0.4
109.06570	1.3
113.01745	0.6
113.02463	8.4
116.92881	0.5
119.03519	9.9
121.87739	0.4
127.00397	1.7
133.06601	6.5
134.03687	0.5
135.04541	2.4
143.03529	3.1
149.04558	1.1
149.09717	0.6
157.06625	0.5
159.04558	0.4
161.04608	2.8
161.05882	0.6
173.09688	1.4
175.11275	1.8
177.01942	1.2
177.12779	1.2
179.05626	11.2
185.09706	1.5
189.00429	1.3
191.05646	1.4
203.10780	5.7
203.14389	1.8
220.74680	0.4
229.10027	1.0
229.12323	17.8
230.12683	1.5
255.17499	0.9
257.08154	0.6
269.15442	1.1
271.16916	1.3
273.18585	5.9
274.18686	0.6
285.18741	0.7
289.18024	1.1
291.33289	0.5
297.14911	2.7
299.16507	9.9
300.16867	1.5
301.10855	0.5
313.18021	0.8
317.17545	5.8
318.17996	1.0
321.19812	0.4
341.17914	0.6
343.15491	39.6
344.15875	4.6
357.17078	1.2
361.16556	70.2
361.29376	1.5
362.16919	8.1
403.17615	12.9
404.17978	2.0
463.19449	0.9
463.33612	0.5
523.21838	100.0
523.33441	9.8
524.22186	16.7
524.29425	0.8
524.35229	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	523.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03473	2.0
59.01376	59.2
61.98830	12.7
63.99551	3.0
67.01877	2.2
71.01391	17.7
73.02959	12.9
80.02699	4.6
83.01419	6.0
84.02177	4.2
85.02976	3.1
87.02405	25.3
89.02457	2.4
93.03474	6.2
94.80563	1.8
96.54048	1.9
96.96032	2.8
99.00887	2.4
101.02475	11.3
103.01892	3.5
103.05578	2.3
105.03473	100.0
106.03868	2.5
107.05054	3.0
127.00393	3.8
133.02861	2.6
140.82274	2.3
145.03003	2.7
151.11308	67.2
152.11649	2.8
154.04245	5.4
167.10756	3.1
169.12357	6.3
189.00366	4.1
191.05656	7.7
201.12805	7.8
219.06528	2.7
239.14400	20.2
257.15466	25.1
258.15759	3.7
260.16617	2.8
269.21500	2.1
277.10809	8.0
304.15573	3.8
470.66623	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2182
Annotation	(-)-Isolariciresinol 4-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
50.96801	0.2
51.07495	0.2
59.01375	0.6
61.98825	0.3
64.14794	0.2
69.64516	1.1
69.64928	0.5
71.01375	1.3
73.02975	0.3
84.98427	0.2
85.02959	0.8
87.21847	0.2
89.02479	0.2
93.03470	1.0
99.00898	0.4
101.02462	0.9
108.02219	0.4
109.02964	3.8
113.02463	0.5
116.42599	0.2
121.02084	0.5
121.02226	0.3
121.02966	11.7
122.03770	12.2
123.04617	1.3
124.01679	0.8
129.03436	0.4
134.03755	0.7
134.58778	0.2
135.04587	1.7
136.01640	0.4
136.05281	0.9
137.02455	1.6
137.06107	0.2
146.03752	0.5
147.04530	5.5
147.46371	0.2
148.05232	0.7
149.06091	0.5
149.28738	0.3
150.03284	0.4
154.02756	1.2
156.82663	0.2
160.05286	0.4
161.04720	0.4
161.06102	1.8
162.06889	0.5
163.04056	0.3
164.04828	0.5
165.05583	22.7
166.05913	1.3
174.76660	0.2
175.07623	0.3
178.06371	0.6
179.07156	7.5
180.07414	0.5
191.07233	0.5
209.08250	0.7
209.68423	0.2
223.09792	1.0
250.37947	0.2
292.90619	0.3
298.12109	0.5
301.10733	0.3
313.14447	0.9
315.12381	2.5
316.12955	0.6
343.15326	0.4
345.13120	0.4
346.14215	8.7
347.14523	1.1
361.16574	100.0
362.16910	13.0
362.20514	0.2
463.22290	0.5
523.20837	0.4
523.27802	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.4
57.03452	4.6
59.01378	1.5
60.86501	0.4
61.98836	1.2
70.36265	1.7
71.01389	3.8
73.02949	41.9
75.00886	0.5
83.01392	26.1
84.01701	0.8
84.78244	0.4
87.00883	6.6
89.91622	0.4
99.00888	23.3
100.01268	0.7
101.02454	6.7
103.00391	2.3
112.98824	0.4
115.00391	1.8
117.01948	1.1
127.00391	69.7
128.00729	1.7
133.01447	1.8
142.99895	4.9
145.01418	1.5
163.02502	0.5
170.99353	2.0
172.05359	0.6
189.00417	100.0
190.00739	2.9
205.14923	0.4
207.01465	43.3
208.01782	1.8
234.87555	0.4
245.16060	0.5
271.17078	1.1
289.18008	1.0
326.20349	0.5
343.22562	0.5
373.57550	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.1818
Annotation	Verbenabraside A
Peak:m/z	Relative Intensity
51.01722	0.4
57.03443	0.8
57.38008	0.3
59.01377	3.9
61.98831	4.0
69.03451	0.7
71.01380	3.5
71.57760	0.6
72.99323	0.6
73.02935	2.1
75.00879	0.5
75.12290	0.4
78.98601	0.7
79.95747	1.3
80.96516	9.5
80.96964	0.7
81.03467	0.9
83.01384	1.1
85.02950	4.8
87.00885	0.7
87.04532	0.6
88.98781	0.5
89.02470	0.7
93.03472	1.0
94.98102	2.0
95.01390	2.7
96.96023	1.4
97.02946	0.7
99.00900	1.1
101.02438	2.2
108.02185	59.8
109.02981	32.0
109.69022	0.4
110.03300	1.2
111.00944	0.5
113.02450	1.4
121.02982	0.9
123.00912	2.2
123.04525	0.6
125.02457	1.0
127.00359	0.8
133.02989	0.5
134.03749	0.6
134.97586	0.8
135.00931	0.5
135.04549	8.3
136.07698	0.4
136.99190	0.4
146.64270	0.4
148.99171	0.4
151.03990	1.0
152.01172	55.3
152.98586	0.8
153.01961	19.9
154.02283	0.9
157.70676	0.4
163.04008	0.9
163.11302	1.0
164.98633	1.5
179.03517	8.5
181.12352	3.4
182.12691	0.5
187.88190	0.4
189.00417	0.7
191.05675	2.3
199.09727	0.4
225.00784	1.7
225.11290	1.9
249.11240	0.5
257.08069	0.8
287.22345	1.1
291.12411	0.7
336.19766	0.4
472.41547	0.4
479.19366	2.9
481.00009	0.4
505.17123	5.5
506.17450	0.7
523.18195	100.0
524.10620	0.8
524.18567	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	522.2851
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71208	0.1
57.03442	0.3
61.98830	100.0
62.98542	0.3
69.58075	0.5
69.58498	0.4
71.01380	0.1
73.02955	0.6
83.01411	0.4
87.00880	0.2
99.00928	0.3
101.02449	0.1
121.02993	0.3
127.00383	0.8
146.08287	0.1
169.33794	0.1
179.07191	0.2
189.00476	0.5
223.95654	0.1
249.18564	0.1
265.50485	0.1
277.12228	0.1
283.13403	0.3
301.14517	0.1
309.15121	0.3
327.16089	0.3
361.23965	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.3324
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	2.1
55.51416	0.2
57.03445	2.7
58.00596	1.7
59.01378	27.9
60.01697	0.4
61.98826	1.9
64.86512	0.2
69.03455	0.6
69.54897	1.5
71.01382	34.8
71.04999	0.3
72.01707	0.4
72.99306	2.3
73.02949	7.5
75.00885	0.7
78.29919	0.2
78.95908	0.3
83.01393	5.0
84.02200	0.3
85.02956	14.4
85.06598	0.2
86.00127	0.5
86.03304	0.3
87.00884	4.4
87.04552	0.3
89.02452	14.7
90.02784	0.2
95.01399	3.0
96.96037	0.6
97.02954	0.6
97.06619	0.2
99.00886	3.2
101.02453	20.3
102.02813	0.5
107.05125	0.2
111.00887	1.8
111.08147	0.2
113.02461	13.2
113.35806	0.2
114.02846	0.2
119.03519	6.7
120.99699	0.6
121.10250	1.8
123.08180	0.6
125.02447	0.7
125.09762	0.4
127.00385	0.7
127.11309	0.8
128.03458	0.2
129.01993	0.9
131.03520	0.6
137.09760	0.5
139.00435	0.2
141.01923	0.4
141.09232	0.6
143.03531	1.4
143.10817	0.4
149.02498	0.4
149.04584	0.5
150.66670	0.2
152.01175	0.2
153.12897	0.3
155.10808	0.7
157.12357	0.8
159.03023	1.7
161.04567	5.0
167.10811	0.2
169.12428	0.5
171.13953	1.2
176.01077	0.5
177.01947	1.0
179.05672	1.5
183.13910	0.6
187.13387	0.7
189.00444	0.5
197.06062	0.4
199.13370	0.4
200.14171	0.2
201.14980	5.9
202.15240	0.4
206.71094	0.2
232.03810	0.4
295.22699	0.2
299.18881	0.2
299.25568	0.3
319.17484	0.2
324.86438	0.2
345.18857	0.2
357.26422	0.4
358.27109	0.3
359.28009	18.4
360.28329	2.4
362.19254	0.3
363.20163	1.5
491.31763	0.4
503.32285	0.5
521.17407	3.1
521.33252	100.0
522.17102	0.6
522.33606	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	521.3327
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	1.9
57.03451	3.2
58.00593	2.3
59.01379	48.6
60.01714	0.7
61.98829	2.1
62.25314	0.2
69.03468	0.6
69.41580	0.8
69.42001	1.5
70.17101	0.2
71.01385	50.3
71.05008	0.6
72.01728	0.9
72.20865	0.2
72.99305	3.4
73.02951	8.2
75.00870	0.6
78.95944	0.3
81.03468	0.2
83.01387	5.7
83.05040	0.2
85.02959	16.3
86.00116	0.3
86.03297	0.4
87.00887	4.7
87.04535	0.7
89.02452	34.3
89.20494	0.2
90.02782	0.5
95.01399	4.7
96.96014	0.9
97.02962	0.6
97.06615	0.6
99.00893	3.3
99.08187	0.3
101.02455	33.7
102.02785	0.9
106.06683	0.2
108.02200	0.5
109.02975	0.4
111.00898	0.9
113.02464	19.8
113.09723	0.3
114.02784	0.3
116.92890	0.4
119.03516	16.5
120.03899	0.5
121.10249	1.7
122.10587	0.2
123.08207	1.3
125.02449	0.7
125.09737	0.3
127.00405	1.0
127.11313	0.5
129.01932	0.9
131.03508	1.9
135.04584	0.3
137.09839	0.2
139.00410	0.2
139.11333	0.2
141.09258	0.4
141.12796	0.2
143.03522	3.5
143.10750	1.0
149.04556	1.1
152.01184	0.4
155.10851	0.3
157.12358	2.6
159.03008	2.3
161.04575	8.0
167.10805	0.4
169.12379	0.7
171.13928	1.3
179.05626	7.4
180.06000	0.2
181.12328	0.4
183.13953	0.6
187.13387	1.1
189.00439	1.4
191.05658	0.4
199.13382	0.7
200.14146	0.4
201.14977	2.7
295.22675	0.4
299.25912	0.4
315.25568	0.2
339.25488	0.3
341.27164	1.0
342.27133	0.3
357.26498	0.4
359.28012	31.9
360.28378	3.5
381.54764	0.2
431.30066	0.5
435.13687	0.2
461.31290	0.2
503.31943	0.4
521.33264	100.0
522.33624	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	521.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03460	2.8
58.00587	4.7
59.01382	100.0
61.42630	2.2
61.98834	58.2
69.03470	5.0
71.01382	71.3
71.19430	4.5
71.19777	5.1
72.01700	2.3
72.99306	4.6
73.02950	27.4
78.95902	4.2
83.01396	5.6
85.02954	10.2
87.00902	6.3
89.02453	92.8
95.01410	4.1
96.96050	18.4
96.96957	5.3
97.02958	8.5
99.00883	28.3
101.02451	45.2
106.86649	2.4
107.05046	5.2
111.00900	9.3
113.02444	12.0
115.04025	5.1
119.03538	3.3
123.04552	4.5
125.02470	34.4
127.00383	9.8
131.03500	16.9
143.03560	4.5
149.04575	59.4
155.10785	4.3
159.04556	3.7
161.04601	6.3
167.10753	19.7
175.04028	3.2
177.01952	56.6
178.02293	3.0
189.00378	14.8
191.05602	13.6
195.44829	2.6
221.06598	3.1
221.11847	5.6
233.06625	13.3
275.01379	2.7
293.08771	55.7
297.31168	2.8
311.09836	2.9
359.27545	3.4
367.08151	2.9
461.31152	5.6
521.17169	3.2
521.33167	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	521.2515
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	1.4
59.01371	2.0
61.98829	2.1
68.01083	0.4
70.60999	1.5
70.61369	0.5
71.01375	1.3
73.02950	7.1
78.95908	27.3
83.01396	4.8
88.98804	0.5
90.08000	0.4
96.96015	1.7
96.96959	2.2
99.00884	5.7
110.98485	0.6
113.09681	0.6
120.49576	0.5
126.99515	0.7
127.00397	12.8
127.01335	0.7
134.03789	0.6
134.98650	0.5
135.04507	0.7
137.70035	0.4
141.09248	0.6
142.99884	0.8
144.00694	0.5
150.98035	0.8
152.99599	43.0
153.99924	0.6
155.10759	0.7
156.90611	0.5
161.02510	0.5
167.10864	0.6
171.00615	3.1
179.14432	1.2
181.12253	1.0
189.00415	14.5
190.00746	0.9
195.13924	12.5
196.14505	1.2
205.12227	1.0
211.13374	0.7
223.13399	6.8
224.13777	0.6
227.03261	4.8
228.13667	0.6
231.21169	0.8
245.04344	2.7
249.22154	0.7
251.67482	0.5
256.13297	0.5
265.21780	0.7
265.74744	0.4
275.20120	4.5
276.20541	0.7
293.21219	54.7
294.21567	5.7
295.22748	0.5
296.23120	1.3
391.38870	0.5
423.17764	0.7
429.20535	1.9
452.18112	1.2
477.14569	0.6
521.25140	100.0
522.25427	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	521.3328
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	2.3
57.03448	2.8
58.00600	1.7
59.01379	30.8
59.59908	0.2
60.01712	0.5
60.99285	0.2
61.98830	2.1
69.03459	0.5
69.77306	1.2
71.01385	39.3
71.05040	0.4
72.01736	0.7
72.99310	2.5
73.02951	8.4
74.03292	0.3
75.00880	0.5
77.89904	0.2
81.03475	0.2
83.01389	4.6
83.01893	0.2
83.05002	0.2
84.01699	0.2
84.02193	0.3
85.02956	15.5
86.00095	0.5
86.03299	0.3
87.00351	0.3
87.00884	4.5
87.01392	0.4
87.04523	0.6
88.98804	0.3
89.02451	16.8
90.02771	0.4
95.01405	2.8
96.96021	0.6
97.02957	0.6
97.06588	0.6
99.00262	0.3
99.00887	3.3
99.04574	0.3
101.02454	22.1
102.02848	0.4
107.05026	0.7
108.02164	0.4
109.02962	0.4
111.00890	2.4
111.08182	0.2
113.02463	14.4
113.09700	0.4
114.02782	0.6
116.92879	0.2
119.03516	6.1
120.99692	0.4
121.10241	1.5
123.08185	0.7
125.02459	0.5
127.00391	1.0
127.11311	0.9
128.03595	0.3
129.01990	1.0
131.03516	0.7
135.04541	3.0
135.82710	0.2
137.09758	0.5
139.00360	0.3
139.11305	0.4
141.01910	0.3
141.09229	0.5
143.03517	1.4
143.10811	0.4
149.04585	0.3
149.09731	0.2
151.11313	0.2
152.01233	0.2
152.07161	0.3
153.05626	0.5
153.12860	0.3
155.10757	0.7
157.11217	0.2
157.12340	1.3
159.03043	2.0
161.04578	5.1
161.05916	0.4
161.09712	0.3
162.05054	0.3
169.12332	0.4
171.13954	1.4
177.01926	0.4
179.05646	1.6
183.13857	0.4
187.13420	0.9
188.56618	0.2
189.00429	0.8
191.05640	0.4
196.10812	0.2
199.13400	0.4
200.14220	0.2
201.13095	0.3
201.14986	5.4
202.15240	0.4
232.03854	0.3
299.25818	0.2
317.19635	0.3
319.17456	0.2
341.27066	0.3
357.26379	0.4
359.28030	19.1
360.28336	2.6
362.19666	0.3
363.20163	1.3
377.12540	0.3
431.30029	0.3
491.32175	0.4
503.32187	0.6
521.17566	2.1
521.33246	100.0
522.33624	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	521.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.9
57.03441	2.1
58.00585	1.2
58.63351	0.5
59.01378	39.4
60.01691	0.6
61.98817	1.5
69.03428	1.2
71.01386	23.0
71.05012	1.1
71.70762	1.1
72.01701	0.5
72.99303	1.8
73.02950	13.7
75.00874	0.7
83.01388	4.8
83.05042	1.3
85.02951	4.7
87.00877	6.6
89.02454	5.2
95.01396	1.6
96.96053	0.6
97.02949	0.8
99.00877	2.2
99.08170	1.7
101.02455	11.7
108.02192	0.9
108.04564	0.7
109.02990	1.0
109.06606	1.1
111.04569	0.7
111.08166	1.7
113.02453	5.2
115.04015	0.6
119.03513	1.7
122.06120	1.2
125.02444	0.6
127.00456	0.7
127.07655	0.7
129.09200	1.4
136.07774	0.6
137.06099	0.6
139.11259	1.0
151.00377	0.9
152.01157	1.0
152.07187	1.8
153.01872	0.9
155.07158	2.9
161.04559	1.7
162.09242	0.9
165.12881	3.4
170.06528	0.5
173.83720	0.6
180.06668	1.4
181.12360	1.7
183.13940	2.0
189.00479	0.8
193.16016	3.9
201.14888	1.1
207.10294	2.0
219.13808	0.6
225.11385	4.0
237.14929	7.8
241.00288	0.6
253.09666	0.6
255.15892	3.6
271.06219	2.8
273.17053	4.8
293.09390	0.5
297.12210	0.9
307.95313	0.5
313.11966	0.6
377.28986	1.2
417.21155	6.5
418.21631	0.7
435.22391	9.2
436.22345	1.0
450.20639	0.9
458.36475	0.6
459.22202	1.5
461.19919	2.9
477.23392	100.0
478.24609	13.7
498.16556	0.5
521.13062	1.7
521.22400	2.3
521.33240	10.4
522.33649	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	520.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.5
57.03456	0.7
59.01377	53.9
60.01709	0.6
61.98829	100.0
62.98528	0.2
65.61662	0.2
69.41106	1.8
69.41521	0.4
71.01382	6.1
72.99347	0.3
73.02940	2.0
83.01418	1.0
85.02953	3.5
87.00881	1.1
89.02438	1.4
95.01402	0.6
96.96021	0.2
99.00893	1.1
101.02457	4.7
113.02461	3.0
119.03483	0.4
125.02467	0.3
130.37219	0.2
143.03464	0.4
159.03014	0.5
161.04596	1.5
209.15326	0.9
274.72113	0.3
296.79605	0.2
353.19687	4.7
354.19876	0.3
359.28015	1.5
371.20755	7.1
372.20837	0.8
413.21796	12.2
414.22229	1.5
521.33319	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	520.2677
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07585	0.1
61.98827	0.3
62.96384	0.2
70.36764	0.5
78.95905	43.0
96.96973	6.5
96.97610	0.3
107.13132	0.2
150.98039	1.6
152.99597	100.0
153.99953	1.7
171.00656	3.9
240.02768	0.2
279.23303	1.1
433.23584	26.9
434.23926	3.3
520.26788	7.7
521.27161	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2678
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79467	0.1
62.96388	0.2
71.49611	0.2
78.95908	40.9
94.51459	0.1
96.96971	5.3
148.04407	0.1
150.96936	0.1
150.98039	1.8
152.99603	100.0
153.69418	0.1
153.99965	1.6
171.00656	3.7
213.58191	0.1
240.02679	0.2
271.63004	0.2
279.23270	1.1
280.23709	0.1
300.93115	0.1
410.05875	0.2
433.23596	25.5
434.23862	3.4
461.68051	0.1
520.26807	6.7
521.26978	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2678
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	0.4
61.98816	1.1
62.96406	0.4
70.80023	0.6
70.80395	0.5
78.95905	63.3
80.91678	0.8
88.36552	0.3
88.98831	0.6
96.96964	5.2
97.90881	0.3
98.20039	0.3
150.98016	2.0
152.99596	100.0
153.99931	1.7
171.00626	2.0
275.54047	0.3
279.23297	2.2
390.78635	0.3
433.23584	41.9
434.23917	5.9
520.26794	7.4
521.26898	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	521.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03060	0.3
57.03429	0.5
59.01385	2.6
61.98815	1.1
62.26212	0.2
67.59465	0.2
69.78500	1.8
71.01390	3.2
73.02953	1.3
78.95943	0.3
83.01378	0.4
85.02959	1.2
88.98833	0.3
89.02462	0.9
93.03468	0.3
95.01364	0.4
99.00875	0.6
101.02441	1.5
103.63624	0.3
109.02943	0.3
112.23262	0.3
113.02456	1.0
121.02964	3.4
122.03753	1.1
123.00896	0.6
123.04550	0.6
124.01661	0.8
127.00430	0.4
128.03535	0.3
135.04584	0.5
136.05269	0.9
137.02455	0.9
137.06071	0.4
143.05040	0.6
145.03012	0.9
146.03679	0.4
147.04552	2.1
149.02490	1.5
149.06076	0.4
150.03233	5.7
151.03995	0.4
153.05632	0.4
158.03729	2.1
159.04532	7.4
160.05312	24.1
161.04524	1.2
161.06038	6.5
163.04005	5.3
163.05273	0.4
164.04793	5.1
164.07085	0.6
165.05258	0.3
173.06071	3.1
174.06805	0.6
175.07649	23.5
176.04810	0.8
176.08011	1.1
177.05574	6.9
178.06358	6.6
179.03397	0.4
179.07010	0.7
189.00345	0.4
192.07898	0.8
193.04994	0.4
193.08699	2.8
225.65271	0.3
299.13156	0.5
299.18503	0.3
300.02728	0.3
314.11584	1.1
329.13931	100.0
330.14255	11.7
341.13736	0.3
359.14987	4.1
359.20538	0.7
360.15341	0.8
398.71469	0.3
503.21634	0.4
521.27087	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.3171
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16263	0.4
53.98933	0.5
55.01882	2.8
57.03448	5.1
58.00594	3.5
59.01380	85.6
60.01711	1.6
61.98832	11.8
69.03463	0.8
69.80666	3.3
71.01386	62.0
71.05029	0.9
72.01725	1.5
72.99314	4.6
73.02954	10.6
75.00863	0.9
79.95766	0.6
80.96544	0.6
83.01390	6.6
83.05038	0.6
83.43685	0.4
85.02961	19.6
86.00131	0.6
86.03281	0.5
87.00890	11.2
87.04546	0.8
89.02455	43.9
90.02796	0.7
95.01402	4.6
96.96027	35.3
97.02966	1.0
97.06603	1.4
99.00892	4.4
99.04571	0.5
101.02455	41.9
102.02804	1.3
111.00891	1.8
111.08153	0.6
113.02467	24.6
114.02793	1.2
119.03523	21.8
120.03900	0.4
121.10264	1.7
125.02479	1.0
125.09753	0.8
127.00381	1.0
127.11327	2.4
129.01965	1.4
131.03510	2.3
133.01482	0.4
137.09804	0.7
138.97169	0.6
141.78160	0.5
143.03525	4.9
149.04588	1.1
151.11363	0.6
155.10808	0.9
157.12383	0.7
159.03018	2.4
161.04590	9.4
164.52408	0.5
167.10829	1.3
171.13907	4.1
177.01994	0.7
179.05637	7.1
183.13901	0.5
185.11894	1.2
189.00452	1.9
190.22894	0.5
191.05653	1.0
199.13409	0.9
200.14183	2.2
201.14975	2.1
227.16479	1.0
229.18045	4.2
241.00154	3.6
259.09808	0.8
271.02435	1.1
271.19223	0.8
285.45639	0.5
299.01840	2.4
300.02338	0.7
309.24353	0.5
313.05911	0.7
314.04221	2.6
315.05054	1.2
315.25342	0.8
321.24255	3.1
339.25421	4.2
357.26453	33.6
358.26886	3.5
429.28580	1.1
431.32370	0.5
459.29684	1.8
477.23508	0.7
477.30002	0.8
501.30383	0.7
519.11719	42.4
519.31726	100.0
520.11987	8.5
520.32043	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	519.317
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	2.3
55.97480	0.2
57.03452	2.9
58.00611	1.3
59.01379	28.9
61.98831	7.1
68.99814	0.3
69.01753	0.2
69.03478	0.3
71.01385	33.4
71.05016	0.3
71.70011	0.4
72.01739	0.7
72.99304	2.3
73.02950	8.9
75.00880	0.8
75.61481	0.3
81.03482	0.4
83.01393	5.1
83.05014	0.4
85.02959	15.5
86.00110	0.6
86.03300	0.3
87.00886	3.4
87.04495	0.3
89.02454	13.2
90.02789	0.3
93.03465	0.5
95.01405	2.7
96.96024	2.3
96.96965	0.6
97.02968	0.5
97.06603	1.5
97.07127	0.2
99.00887	4.1
101.02453	20.0
109.06615	0.3
111.00901	1.4
111.08147	0.3
113.02463	13.1
114.02818	0.4
116.92882	0.3
118.98104	0.3
119.03515	5.1
119.05975	0.2
120.99641	0.6
121.10241	1.3
125.02448	0.6
125.09740	0.5
127.00378	2.1
127.11314	1.2
129.01967	0.8
131.03540	0.4
135.39209	0.3
137.09731	0.9
141.02000	0.3
141.12947	0.2
143.03528	1.1
146.39107	0.3
149.04582	0.2
149.09682	0.3
151.11269	0.5
153.09247	0.3
153.12706	0.3
155.10735	0.8
159.03015	2.0
161.04576	4.1
162.04967	0.3
167.10902	0.3
169.12311	0.2
171.13960	1.5
179.05652	1.2
185.11871	0.6
187.13351	0.5
189.00418	2.9
190.00856	0.3
191.05621	0.4
199.13434	0.7
200.14217	1.5
201.14954	1.2
205.03510	0.3
212.52089	0.3
227.16557	0.6
229.18091	1.7
239.09541	0.3
303.23358	0.3
321.24301	0.9
339.21780	0.3
339.25333	1.4
357.26459	17.2
358.26849	1.9
361.18658	0.9
362.19461	5.3
363.19867	0.8
391.23352	0.6
394.18246	1.3
418.08044	0.2
429.28922	0.3
451.16260	0.3
459.30118	0.5
465.28748	0.4
477.27438	0.4
483.29614	0.9
489.30740	0.9
501.30725	2.4
502.30951	0.4
517.29980	0.2
519.31702	100.0
520.32068	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	520.1668
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	0.6
61.98830	100.0
69.78223	1.0
71.01389	0.5
89.02444	0.2
112.47829	0.2
125.02460	0.2
139.05977	0.1
143.91708	0.1
247.11179	0.2
293.09052	0.2
352.76273	0.2
419.87048	0.2
471.37241	0.2
521.22070	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1175
Annotation	circumpyrene
Peak:m/z	Relative Intensity
55.01883	0.9
57.03450	3.0
58.00596	0.7
59.01377	27.3
60.01702	0.5
61.98830	6.4
69.17400	0.4
69.76443	2.6
71.01386	15.4
71.05013	0.7
72.99304	1.1
73.02950	3.7
74.03240	0.3
75.00865	0.6
79.95721	2.4
80.96532	1.8
83.01408	2.4
85.02953	6.1
87.00886	2.3
89.02454	7.0
95.01410	1.2
96.96022	72.9
97.02992	0.8
97.06591	0.7
99.00882	1.8
99.04527	1.5
101.02454	11.1
103.26727	0.3
106.22218	0.4
111.04576	0.5
113.02468	6.9
119.03514	3.1
125.02453	1.0
127.00344	0.6
131.03490	0.7
133.02989	0.7
138.40471	0.4
138.97096	0.7
143.03497	1.6
149.04433	0.5
155.10855	0.4
161.04550	3.0
167.10820	1.0
168.11133	0.7
170.86261	0.4
177.01901	1.3
178.99759	0.3
179.05614	2.1
191.05511	0.4
221.06558	0.4
222.99420	0.4
240.97801	0.3
241.00206	6.8
253.09305	1.8
254.09622	0.7
255.09679	0.4
259.01382	0.4
259.09814	2.2
263.07657	0.5
263.16611	0.9
264.16986	0.9
265.17267	0.4
271.02493	1.5
281.17554	3.4
282.17917	4.3
283.18332	1.9
299.01959	2.5
313.05902	1.4
314.04233	2.3
315.04910	1.2
357.26465	5.6
384.78540	0.4
401.58572	0.4
414.47556	0.4
417.25089	0.6
439.16299	0.9
459.23157	0.4
459.29816	2.7
475.26199	0.5
477.23483	1.9
477.30551	1.0
501.30841	0.9
518.30615	0.6
519.11731	100.0
519.31769	24.1
520.12042	13.9
520.24231	0.8
520.31580	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	519.2359
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93920	1.1
55.50305	1.2
59.01368	3.1
61.98832	7.3
64.77866	1.8
70.33907	6.0
78.95905	30.1
84.36227	1.2
85.65843	1.3
96.96019	2.0
96.96970	3.2
98.20615	1.6
108.34899	1.5
117.57329	1.5
132.64587	1.5
152.99596	41.9
163.11212	1.5
165.12869	27.6
166.13298	1.9
171.00641	4.1
191.05675	2.0
227.03203	4.4
245.04303	4.7
247.20641	15.5
248.20978	1.9
257.38138	1.4
273.18555	8.6
291.19650	80.7
292.20001	10.2
334.90674	1.5
351.07089	1.6
412.88318	1.5
427.18964	2.3
519.23590	100.0
520.23621	18.4
520.30792	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2516
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	8.4
61.98831	100.0
69.64269	42.1
78.59930	4.2
78.95913	5.2
95.42913	4.5
111.28067	4.5
131.50896	5.1
152.99606	9.5
306.00803	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	519.2726
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32584	0.3
56.61033	0.3
59.01371	0.7
61.98832	3.8
62.68396	0.3
71.71841	0.5
78.95909	51.9
82.76625	0.3
96.96968	6.9
150.97995	1.4
152.99602	100.0
153.36276	0.3
153.99948	2.1
171.00624	4.0
315.46762	0.3
334.79858	0.3
365.26865	0.9
380.46118	0.3
432.22205	0.6
519.27234	18.5
520.27722	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	519.1137
Annotation	6-Methoxykaempferol 3-(6''-acetylglucoside)
Peak:m/z	Relative Intensity
51.08307	0.2
55.01876	0.5
57.03445	0.8
58.00571	0.4
59.01379	11.1
61.98827	0.9
63.02425	0.3
65.00008	0.3
65.00304	1.2
69.38548	0.3
69.38946	2.0
71.01385	8.9
72.99346	0.5
73.02953	2.1
79.95743	0.3
83.01394	1.5
85.02953	2.7
87.00895	0.7
89.02456	6.7
91.01904	0.3
93.03502	0.5
95.01413	1.0
96.96021	2.1
97.02970	0.8
97.06597	0.3
98.19875	0.4
99.00913	0.7
101.02454	6.5
107.01428	0.6
108.02156	0.2
109.02959	2.6
113.02465	3.4
119.03515	2.8
121.02968	3.9
125.02482	0.6
127.00372	0.7
131.03532	0.3
133.03004	0.5
135.00948	0.2
137.09706	0.5
139.04057	0.3
143.03529	0.8
147.00882	0.4
148.01759	0.3
149.02515	0.4
149.58682	0.2
149.99651	0.5
151.00381	1.4
157.02919	0.2
161.02477	0.4
161.04565	1.8
162.03136	0.2
163.00391	0.7
163.04060	0.3
164.01181	0.3
165.01949	11.8
166.02257	0.6
169.01469	0.2
171.04533	0.7
171.13913	0.2
173.02454	0.3
175.04039	0.3
177.01878	0.3
179.05591	1.6
182.90701	0.2
183.03023	0.3
183.04539	0.2
187.04016	0.4
189.00406	0.7
189.02000	0.2
190.03020	0.2
191.03523	0.2
191.05699	0.3
193.01459	2.3
194.01797	0.3
197.02611	0.2
199.04018	3.1
200.04355	0.2
200.14191	0.2
201.01952	0.7
203.03510	0.7
209.15494	0.2
215.03506	1.6
215.10699	0.3
216.04205	0.2
218.34917	0.2
225.02080	0.3
226.02742	1.4
227.03525	4.5
228.04141	0.8
229.01443	0.5
229.18039	0.2
235.17032	0.2
242.02321	0.9
243.00415	0.4
243.02975	7.2
244.03464	0.8
253.18163	0.4
254.02237	2.4
255.02974	2.7
255.15974	0.7
256.03708	0.8
257.04608	0.5
259.06021	0.4
259.09796	0.4
268.03665	0.3
269.04544	2.6
270.01724	0.9
270.04663	0.3
271.02463	70.4
272.02850	6.1
282.01743	0.4
285.04037	2.1
286.04691	0.7
287.05569	1.2
291.23413	0.3
297.03885	0.9
299.01971	100.0
300.02512	16.3
301.03168	0.9
314.04315	93.1
315.05032	53.7
315.18130	0.2
316.05444	4.3
339.25186	0.2
357.06229	1.1
357.19598	0.2
357.26453	5.2
358.26932	0.3
421.14893	0.9
422.14548	0.2
451.16614	0.9
459.22327	0.5
475.25134	0.2
477.10297	4.6
477.23224	0.3
478.10739	0.5
501.24020	0.2
519.11353	85.3
519.24219	3.6
519.31689	12.8
520.11719	14.0
520.19794	0.3
520.24554	0.4
520.31842	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.2902
Annotation	Terpendole C
Peak:m/z	Relative Intensity
58.02974	12.0
59.01359	1.5
61.98832	31.8
66.03478	1.7
69.97417	1.7
69.97826	2.3
71.01390	0.8
74.02477	24.4
78.58553	0.6
78.95916	2.1
81.04588	2.3
82.02974	3.2
84.04553	1.4
86.02486	10.5
86.06125	2.1
87.05653	4.0
88.04044	0.9
89.58664	0.6
96.04568	0.8
97.04093	3.4
98.20544	1.3
99.05651	22.2
101.07220	4.3
102.05627	5.4
107.06147	1.1
109.04070	4.1
109.07737	0.9
110.02486	0.8
111.05669	2.0
111.08149	0.6
111.52102	0.6
112.02766	0.7
112.04049	2.9
113.03637	0.8
117.46819	0.7
121.04073	0.6
123.05659	2.3
124.04053	1.1
124.07693	1.0
125.03606	4.3
126.04332	0.8
126.40248	0.6
127.05152	5.0
128.03557	65.3
129.03888	1.9
135.05663	7.8
137.07217	1.3
141.06679	3.2
141.29094	0.7
143.04640	77.9
144.04968	2.5
145.06233	3.2
146.04605	8.7
149.07204	1.1
152.99635	4.0
153.06720	6.1
155.08302	0.6
166.09871	5.5
167.04645	4.0
167.08260	6.5
170.03329	1.6
171.04134	2.7
179.04634	21.3
180.04935	1.2
181.06293	3.1
184.10928	0.8
185.05653	2.3
191.05591	1.9
192.06181	0.7
192.07756	3.4
195.13969	0.8
197.05701	3.2
199.15273	1.8
204.07288	0.6
210.08847	17.8
211.09033	0.7
212.38210	0.7
228.09953	1.1
245.04070	0.8
245.19427	10.5
254.07809	41.2
255.08109	2.6
272.08865	56.0
273.09061	4.2
291.19693	5.8
293.21268	1.8
308.07410	1.1
331.20331	0.6
344.19510	0.8
354.14355	0.8
389.24820	6.3
475.34351	0.8
500.20950	0.7
500.27930	10.6
501.28143	1.4
518.29022	100.0
519.22443	4.9
519.29706	14.4
524.56885	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
56.58768	0.6
57.03440	1.0
58.00588	0.9
59.01377	15.3
61.98819	4.1
62.50256	0.6
63.16702	0.6
70.38315	2.1
71.01383	19.1
71.05006	1.0
73.02943	5.9
75.00874	0.7
81.03475	2.0
83.01373	3.1
83.05030	6.6
85.02953	6.2
86.02455	0.8
87.00881	2.8
89.02454	11.9
93.03477	0.8
95.01400	1.5
96.96030	1.8
98.20593	0.6
99.00909	3.0
101.02457	10.6
101.06076	0.9
104.05043	0.8
106.06635	96.5
107.06944	4.0
113.02469	10.4
116.92863	1.1
118.06628	1.0
119.03516	3.6
119.05029	3.1
121.02917	0.7
125.02525	0.7
127.00410	2.0
129.01949	1.0
130.08743	1.7
131.03560	3.1
132.19801	0.6
142.08736	1.0
143.03552	1.2
145.05064	2.0
149.04568	1.0
149.06042	1.4
150.05623	100.0
151.05984	4.9
159.03011	0.9
161.04575	6.3
163.04048	2.1
164.07207	7.4
167.05019	0.6
177.01947	3.9
179.05621	2.7
185.11894	0.9
188.09296	1.3
189.00394	2.3
192.06654	10.2
193.05077	12.3
194.05650	6.4
221.06633	3.5
236.05635	1.0
252.08842	3.2
253.09216	0.7
263.07678	1.5
293.08496	0.8
296.07751	2.1
312.10809	1.4
335.81195	0.7
338.08887	1.8
339.07086	1.5
354.11929	17.9
355.12442	1.8
356.09927	4.6
356.20880	2.5
398.10901	7.2
406.17896	0.9
429.13568	3.1
500.14148	2.7
518.15106	36.2
518.26074	8.0
519.15540	5.3
519.24579	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	518.1513
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	0.3
59.01379	3.3
61.98831	100.0
62.98533	0.3
63.05078	0.2
65.19423	0.2
69.54641	1.4
71.01389	2.0
71.01742	0.2
73.02938	1.2
74.02467	0.2
83.01410	0.6
85.02957	0.8
85.66006	0.2
87.00923	0.4
88.98824	0.2
89.02462	0.9
97.06593	0.2
99.00893	0.4
101.02449	1.3
113.02483	1.1
119.03500	0.3
127.00385	0.8
128.03549	0.4
130.08768	0.3
143.03604	0.2
143.04666	0.5
161.04630	0.4
189.00395	1.0
210.08774	0.2
306.07690	1.0
375.27533	0.3
388.64163	0.2
452.56671	0.2
517.30029	1.0
518.31049	1.2
519.31750	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.4
57.03445	1.2
58.00601	0.5
59.01377	35.9
60.01712	0.4
61.98829	100.0
71.01386	10.4
71.01781	0.5
72.99322	0.4
73.02946	13.9
73.13326	0.3
74.03271	0.3
83.01389	5.6
85.02938	1.7
87.00887	0.6
89.02457	3.1
94.06732	0.3
95.01396	0.5
96.95993	0.3
99.00875	2.4
99.04454	0.3
101.02451	13.9
102.02781	0.5
113.02455	6.2
114.02763	0.4
116.92825	0.4
119.03493	2.3
125.02496	0.4
127.00383	5.9
131.03525	1.5
137.09727	2.8
142.99887	0.4
143.03540	2.1
148.38454	0.3
149.04570	2.9
155.03531	0.3
161.04567	6.0
179.05591	0.5
183.75752	0.2
186.08548	0.3
189.00404	7.5
189.12752	0.7
203.05525	0.9
221.06674	1.8
332.67166	0.3
411.19931	0.6
433.68640	0.2
448.46509	0.3
519.31470	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
54.96738	0.5
57.03443	2.0
58.00605	0.9
59.01377	47.6
60.01721	0.8
61.59463	0.5
61.98829	100.0
63.94495	0.5
69.03477	0.9
71.01384	24.0
71.71072	0.6
72.01720	0.5
72.99322	1.0
73.02948	25.5
83.01395	9.1
85.02957	3.8
87.00892	2.1
87.04514	0.5
88.98816	1.9
89.02446	7.4
94.45877	0.4
95.01397	1.0
96.01116	0.5
96.96043	1.2
97.02957	0.6
99.00887	3.2
99.05695	0.7
101.02451	23.5
102.02803	0.7
113.02461	11.5
116.92860	0.9
119.03501	3.6
120.99707	0.6
125.02509	1.6
127.00385	3.5
128.03574	1.5
131.03546	2.0
134.03760	0.6
143.03535	2.6
143.04666	1.8
145.08870	0.5
147.83466	0.5
149.04575	4.1
153.75462	0.5
155.03529	0.7
160.00769	0.6
161.04561	8.2
177.01878	0.5
189.00392	4.0
189.12897	3.7
191.05583	1.0
191.44312	0.5
203.05650	1.1
217.14574	0.9
221.06738	2.0
221.16591	0.7
271.09366	0.5
272.08759	1.0
306.07532	4.1
333.13242	0.8
353.10342	0.7
357.13452	0.7
357.26431	0.6
375.27765	1.0
518.31226	0.9
519.23438	5.6
519.31970	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	517.1195
Annotation	Siphonodictyal B3
Peak:m/z	Relative Intensity
61.98820	0.7
63.02401	0.3
65.00320	0.7
67.34925	0.3
68.99818	0.6
70.05122	1.5
77.23891	0.3
83.01381	0.5
90.71319	0.3
95.01381	0.9
96.02156	0.3
97.02985	0.3
107.01403	0.8
107.87417	0.3
109.02965	0.3
111.00874	1.3
116.92809	0.3
121.03017	0.3
123.00896	2.0
124.01675	7.4
125.02467	1.8
137.02455	0.5
139.00394	1.7
141.01968	1.2
148.43628	0.3
151.00378	6.4
152.01167	60.2
153.01566	2.4
163.00400	1.9
165.01982	0.8
167.03452	0.6
173.13448	0.3
175.06078	0.4
177.01903	0.6
178.99873	18.1
180.00471	1.2
183.02979	0.5
191.03607	0.3
193.01463	2.2
195.02988	0.7
205.01472	0.4
205.65051	0.3
206.99303	0.7
207.02968	1.4
208.00136	51.1
209.00769	5.9
210.01419	0.4
222.51001	0.3
223.02475	1.0
235.02518	0.5
276.01550	0.3
353.10779	0.3
443.11743	0.7
471.11456	0.8
517.11951	100.0
518.12329	13.0
518.19073	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1863
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02983	1.9
59.01373	0.7
61.98823	2.4
69.60291	0.4
70.61129	1.4
74.02469	3.4
75.06628	0.3
86.02490	1.5
87.05653	0.9
89.03964	0.9
95.74511	0.4
97.04082	0.8
99.05661	3.4
100.06059	0.5
105.03467	0.6
106.04268	0.5
108.02175	0.4
109.02952	0.7
109.04086	0.5
109.89706	0.4
112.04046	0.6
117.03475	6.5
119.05083	0.4
121.02979	1.1
123.05638	0.4
127.05100	0.7
128.03554	9.0
129.03886	1.5
133.02960	4.3
134.03755	92.5
135.04482	4.4
135.05643	0.7
137.02435	2.9
139.04030	1.2
141.06784	0.4
143.04642	10.9
144.05019	1.9
146.04605	0.9
147.04510	0.5
148.05322	0.8
149.06114	6.8
150.03253	0.5
153.06725	0.8
160.00481	2.0
160.01851	3.4
161.00963	0.7
167.04713	0.8
167.08261	0.7
168.05147	0.4
174.03233	6.2
175.03746	0.7
177.03438	1.0
178.02667	1.9
179.03435	6.2
179.04732	1.1
180.05013	0.9
185.05696	0.6
193.05063	100.0
194.05377	5.3
197.05711	0.4
199.07367	0.4
203.07146	50.8
204.07417	3.3
210.08809	1.6
211.09192	0.9
224.04816	0.6
237.05426	0.4
239.03535	1.1
240.04131	0.4
243.16536	0.4
247.07652	0.5
250.06377	0.5
251.07130	1.4
254.07820	3.4
255.08058	1.5
265.08722	1.9
267.03006	1.1
268.03745	6.9
269.04141	0.8
272.08850	4.5
273.09241	2.3
277.12253	0.9
283.06110	7.1
284.06519	0.6
288.06445	1.3
289.06949	0.9
293.11859	3.7
294.12491	2.3
298.08411	0.8
306.07632	14.1
306.11038	0.8
307.07959	10.1
307.74329	0.4
308.07336	1.8
309.14966	1.8
313.10803	71.2
314.11115	6.6
318.57983	0.4
353.13931	4.4
397.12961	4.4
398.13199	0.6
518.29565	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	517.265
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42551	0.3
54.78214	0.3
57.03453	3.7
58.00602	0.3
59.01376	16.9
60.01712	0.3
61.98832	10.2
65.62150	0.3
69.03447	1.5
69.41637	1.3
69.42062	2.5
71.01382	9.9
71.05023	3.4
72.99306	0.7
73.02947	2.8
81.03501	0.5
83.01388	1.3
83.05028	1.7
85.02950	2.7
85.06599	1.5
87.00875	1.0
87.04525	1.4
89.02451	7.0
93.03458	0.4
95.01397	0.9
95.05032	0.8
96.96013	0.9
97.02934	0.8
97.06603	2.6
99.00816	0.4
99.04533	1.0
101.02450	9.7
107.08668	0.6
108.23945	0.3
109.06593	1.8
111.04527	1.5
111.08167	0.9
113.02448	4.0
113.06144	0.5
119.03500	1.7
121.02985	1.4
121.06541	0.4
122.03319	0.6
123.08183	0.7
124.76906	0.3
125.02440	0.6
127.07668	0.4
129.09290	0.6
131.03511	0.4
137.09718	0.6
139.74327	0.3
143.03500	0.8
147.11778	0.6
149.09734	2.6
151.11267	1.3
155.10852	0.6
161.04564	3.6
161.13472	0.7
167.10791	20.9
168.11099	1.6
172.70422	0.3
175.11308	0.7
177.09230	0.9
179.05650	1.3
181.12335	0.4
183.10263	1.3
189.00479	0.5
193.12354	3.8
195.10269	1.8
201.16518	1.5
205.12338	0.6
207.13924	1.0
209.15530	0.6
211.13405	1.1
219.13974	0.6
219.17596	2.1
223.13367	0.9
224.33261	0.3
237.14980	0.5
245.15404	0.9
253.09271	34.8
254.09613	2.4
263.16495	21.4
264.16772	2.3
269.17566	0.6
281.17569	100.0
282.17908	9.9
355.24780	0.6
517.30243	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	518.0938
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72373	0.3
55.01873	2.0
57.03452	5.8
57.39653	0.4
59.01370	3.9
61.98832	5.1
68.84058	0.3
71.01392	4.8
71.24908	0.6
71.25225	0.5
72.99326	0.5
73.02950	45.3
74.03283	1.0
75.00877	0.7
83.01395	31.9
84.01704	0.7
84.21831	0.3
85.02961	0.3
87.00880	2.4
88.98835	0.7
89.02462	1.4
96.96033	0.5
99.00892	30.4
100.01199	0.7
101.02451	4.2
113.02466	0.9
113.34363	0.3
116.92895	0.4
117.01928	0.9
119.03533	0.5
127.00390	73.6
128.00740	1.9
132.97972	0.3
133.01453	0.3
133.02956	0.5
134.03732	0.5
135.04520	2.7
136.01672	7.1
137.02483	0.4
142.99879	4.7
144.00201	0.4
145.01428	1.4
149.06131	0.3
150.05559	0.5
151.04034	11.1
170.99312	1.7
179.03497	1.4
189.00420	100.0
190.00769	4.0
203.07092	0.4
207.01472	8.0
342.11163	0.9
357.13440	11.6
369.04770	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.2731
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69659	1.0
59.01372	1.1
60.80978	1.1
61.98830	13.0
62.96435	1.0
68.13646	0.9
71.72096	1.4
71.72516	1.1
73.73948	0.9
75.00871	3.1
78.95904	17.0
83.22090	0.9
83.23489	1.1
116.92855	1.3
135.36238	1.1
140.01172	4.0
152.99585	4.8
196.03806	8.9
200.74391	1.0
214.04916	1.6
255.23277	100.0
256.23645	10.2
452.27832	61.3
452.32800	0.9
452.34451	1.6
453.28107	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	516.2745
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02972	6.7
61.75550	0.4
61.98824	1.2
62.39500	0.3
66.03478	0.8
67.03014	0.5
68.05084	0.4
70.03003	0.4
70.17992	1.6
71.01413	0.5
72.00925	0.9
74.02478	13.2
74.92836	0.3
81.04592	1.0
82.02994	1.8
83.99379	0.4
84.04568	0.7
85.04102	0.4
86.02479	6.4
86.06116	0.7
86.99100	1.5
87.05633	3.4
88.07908	0.4
90.00201	1.5
95.81799	0.4
96.04536	0.5
97.04091	1.7
98.20592	0.6
99.05652	13.9
100.05952	0.4
101.07210	2.2
102.05617	1.7
107.06165	0.7
107.76597	0.4
109.04053	1.5
109.07733	0.8
111.05637	0.7
112.04037	1.3
113.03575	0.8
116.01773	1.3
119.99986	0.4
120.01241	0.7
123.05650	1.5
124.04066	0.8
125.03587	1.1
126.01982	0.7
127.05181	2.7
128.03554	34.3
129.03903	0.9
129.99663	0.6
131.04601	0.5
135.05656	3.3
135.78610	0.4
137.07240	1.0
141.06732	3.5
143.04637	49.4
144.01245	0.4
144.04945	1.3
145.06236	1.9
146.04597	4.1
149.07161	0.4
153.06725	3.7
155.08348	0.6
160.00757	15.8
161.01068	0.6
166.09932	2.1
167.04651	4.0
167.08255	1.7
171.04062	1.0
171.07790	1.1
177.03415	5.7
179.04634	10.5
180.05038	0.5
180.07773	0.7
181.06161	1.7
184.10963	0.7
185.05663	1.8
192.07776	1.0
197.05685	1.7
198.08813	0.7
199.34879	0.4
204.70543	0.4
210.08853	8.5
211.09003	0.7
228.09879	0.5
240.97296	0.4
242.07881	1.1
254.07828	14.4
255.08153	0.7
272.08871	25.3
273.09189	1.3
288.06558	9.7
289.06882	0.6
306.07648	100.0
307.07922	7.4
365.16302	0.5
516.27417	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.0031
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	76.4
60.52565	0.9
61.98825	3.6
71.01379	2.9
71.55426	1.0
73.02959	1.3
78.95905	6.5
85.02952	1.1
87.00871	0.9
89.02445	1.2
90.97157	0.9
96.96023	2.5
96.96976	5.5
101.02439	1.3
111.01998	5.6
113.02486	1.6
131.03487	1.3
132.98207	2.2
136.94012	3.2
149.04503	1.2
159.01474	2.1
174.99245	30.2
175.99509	0.9
178.95045	3.6
201.02562	19.1
201.53389	0.7
202.02701	1.4
203.02242	1.9
217.00294	100.0
218.00639	3.7
223.00168	0.9
241.01256	1.4
273.58786	0.9
283.02234	1.6
303.82697	1.5
320.96191	1.8
343.03537	1.2
344.03699	1.2
355.04337	5.6
359.01471	14.0
360.01566	1.7
374.99200	71.8
375.99670	4.5
376.03906	0.8
399.03015	1.2
406.91684	0.9
416.23535	0.8
445.83932	1.0
451.09766	1.2
517.11719	5.6
517.61951	1.7
524.79791	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66605	0.6
58.94804	0.7
59.01377	18.6
61.98830	6.9
67.01882	6.3
71.01391	6.7
71.57284	0.6
71.57715	1.0
73.02959	3.3
74.45837	0.6
83.01396	1.2
85.02955	2.7
87.00839	0.8
89.02441	3.6
91.05518	2.5
93.03443	0.7
96.96014	2.7
99.00936	0.9
100.83134	0.6
101.02431	3.6
102.02790	0.7
107.05029	1.2
113.02464	2.6
115.34254	0.6
123.04498	1.6
125.02428	0.9
127.00397	1.5
135.04520	1.8
147.08185	2.8
149.02434	0.7
173.06010	1.5
179.05695	0.7
189.00383	1.8
191.07144	86.9
192.07486	5.8
217.05042	8.3
231.10252	4.2
249.11310	40.1
250.11656	2.4
257.08231	1.2
261.13446	1.0
275.09250	4.2
293.10385	4.3
293.13452	0.9
313.60373	0.8
411.16666	1.0
455.15552	100.0
456.15948	12.7
471.15674	0.9
515.23297	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.2495
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.1
57.03448	65.8
58.03784	0.8
59.01379	100.0
60.01700	1.3
61.98831	12.8
65.59289	0.6
69.03466	0.9
69.31679	0.8
71.01385	24.2
71.57538	0.8
71.57964	0.9
72.99324	1.4
73.02951	11.7
74.02483	2.4
75.00873	9.4
81.03480	2.2
82.02980	1.1
83.01400	5.8
83.05016	0.9
85.02957	12.8
86.99075	0.7
87.00892	1.3
89.02456	7.1
93.03474	1.3
95.01418	2.2
96.04578	2.1
96.86774	0.6
96.96021	2.1
97.02991	0.7
97.04106	1.4
97.06587	0.9
98.02492	0.8
99.00912	4.5
99.04527	80.7
100.00391	0.9
100.04858	1.8
101.02454	33.3
102.02789	0.9
107.05050	1.3
108.04576	1.2
109.04196	0.7
111.04557	1.1
112.04059	2.0
112.07714	1.1
113.01701	1.4
113.02460	10.2
115.57185	0.7
116.92945	0.8
119.03536	2.1
122.06165	1.5
123.04548	1.0
124.04106	0.9
125.02464	34.1
125.03535	2.4
126.02863	0.8
127.00417	2.1
127.05136	0.8
131.03548	0.8
135.04567	0.9
135.08202	1.1
137.07283	1.8
138.05630	1.0
139.05128	1.5
140.07263	0.8
143.02594	0.7
143.03558	3.0
143.04576	0.9
143.07199	2.2
147.05664	1.4
151.05235	0.8
152.03618	0.8
155.08327	2.0
159.03041	1.6
160.00786	3.4
161.04565	5.5
165.06738	2.8
167.10837	0.8
177.01956	0.9
179.05704	1.3
181.06212	1.8
189.00499	2.5
191.05719	1.4
209.05667	1.7
209.15610	2.2
212.09531	0.6
223.13359	0.9
225.05119	6.4
227.06825	1.1
243.10695	0.9
253.04636	16.2
253.09009	0.8
254.04964	0.8
259.04031	1.8
261.15134	1.4
271.05728	4.5
279.16098	1.9
287.03467	1.9
303.57620	0.7
303.68658	0.7
305.04477	16.5
306.04910	1.2
347.17282	0.7
353.19537	6.2
371.20764	28.3
372.21222	3.2
375.43152	0.7
413.21844	11.6
414.22388	1.9
439.15939	0.7
453.25162	2.1
471.26373	0.9
494.69592	0.7
515.17505	1.5
515.25543	10.0
516.25360	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.2494
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.5
57.03440	1.5
59.01116	0.9
59.01381	14.2
60.47287	0.6
61.98592	0.7
61.98834	9.1
70.49287	2.5
71.01038	0.6
71.01385	4.3
71.05017	2.6
73.02940	3.2
83.01383	2.2
83.05044	1.6
85.02953	0.9
89.02451	1.3
91.84661	0.7
93.03442	1.1
95.05019	3.4
96.96021	4.5
97.02966	3.6
97.06593	11.4
99.00889	55.2
99.04511	0.9
100.01224	1.3
101.02440	3.0
109.06600	1.1
113.02452	1.7
117.07099	2.7
123.04519	2.5
123.08181	1.8
125.09732	6.6
127.00380	1.7
127.11272	1.9
127.97495	0.7
128.03580	0.8
135.04546	1.0
135.08162	7.5
137.02448	0.8
141.89014	0.7
142.02708	1.6
145.10219	0.9
153.09227	23.2
154.09497	1.3
154.94229	0.7
163.11301	5.9
169.08755	0.9
171.10297	3.9
179.07135	4.5
181.12346	13.9
181.43016	0.7
182.12604	0.8
183.97112	1.1
189.00385	1.4
189.05580	0.9
191.05605	1.3
197.08200	19.0
197.11832	1.2
198.08507	0.9
199.13400	7.7
203.38623	0.7
207.10268	23.5
208.10619	1.4
209.11911	0.8
215.09239	27.1
216.09628	0.9
225.11317	36.6
226.11603	2.7
230.95203	1.7
243.12346	30.7
244.12695	2.4
271.11984	1.0
289.12906	15.1
290.13235	1.3
299.14944	1.2
317.16052	20.7
318.16327	1.0
326.00769	1.2
331.02109	0.7
346.79248	0.8
387.10519	0.8
411.12582	0.8
423.22559	0.8
429.17911	1.4
452.31055	0.9
497.23688	3.4
515.24884	100.0
516.14246	0.9
516.17188	0.9
516.25275	15.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1249
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	1.5
58.00587	1.8
59.01382	45.4
64.96669	1.0
69.49480	2.5
69.49888	6.6
71.01385	43.2
72.99302	3.3
73.02955	3.3
75.00871	2.4
81.53259	1.1
83.01402	2.0
85.02953	4.9
87.00906	2.9
89.02455	43.5
93.03435	5.2
95.01407	1.5
96.96973	2.5
99.00887	8.4
99.52783	1.1
101.02455	15.0
111.00971	1.4
111.04541	2.4
112.75301	1.1
112.98807	11.5
113.02467	12.2
115.00355	3.0
119.03514	13.0
124.98832	2.1
129.01967	2.6
131.03542	3.0
131.08318	2.1
133.01450	1.5
137.02454	1.8
142.04982	1.1
142.99869	15.8
143.03523	3.7
145.01392	1.9
149.04512	1.2
161.04549	4.9
172.90010	2.0
172.96249	1.9
173.00911	21.6
173.04552	10.3
175.02473	1.3
179.05624	17.7
282.14069	1.2
341.10901	100.0
342.11206	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	515.1405
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03427	0.5
59.01385	2.2
61.98828	10.8
63.66145	0.4
67.01881	0.6
69.01740	0.4
69.03454	0.9
69.19656	0.4
71.01379	2.2
71.52739	0.3
71.56296	0.5
71.56676	0.5
72.99298	0.4
73.02944	1.1
78.95919	0.4
81.03454	1.0
83.01411	0.7
83.04993	0.4
84.09864	0.4
85.02959	8.4
87.00893	2.3
89.02464	0.7
90.23817	0.3
93.03465	5.4
96.96005	1.2
99.00883	1.2
101.02479	1.0
109.02972	1.1
111.04536	1.4
113.02469	0.8
115.04008	0.4
116.92851	1.5
117.03471	1.4
122.06122	1.2
123.03262	0.5
127.00400	1.0
127.04046	2.5
132.02179	0.8
133.02960	5.6
135.04546	4.8
136.04915	0.3
138.05618	2.1
153.01927	0.4
160.01646	2.5
161.02454	48.3
162.02791	2.5
171.03055	0.7
173.04543	1.9
177.01958	0.6
179.03517	4.5
189.00461	2.4
191.05620	100.0
192.05945	4.1
205.05049	0.8
207.06651	0.5
233.04529	0.8
267.08685	1.3
269.12735	0.9
270.13104	0.8
293.10266	0.4
294.36731	0.4
323.07709	45.7
324.08057	4.4
341.08731	2.3
353.08749	3.8
401.98935	0.4
409.19092	0.6
453.18668	0.7
455.21417	2.9
471.19687	2.2
515.14044	34.4
516.14600	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	515.1763
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	1.5
57.03449	2.3
57.10989	0.7
59.01380	36.5
61.98831	29.2
69.47217	1.6
69.47629	6.1
71.01385	17.5
71.05024	0.8
73.02958	3.8
78.95918	1.7
82.95430	1.6
83.01392	2.7
85.02956	7.9
87.00880	1.7
88.98861	0.9
89.02448	10.4
91.05543	1.0
93.03457	1.4
95.01435	1.4
95.04998	1.1
96.96023	13.1
96.96977	1.4
97.02969	0.9
99.00872	2.4
99.92631	1.1
101.02454	12.6
107.05049	1.7
108.02180	1.6
109.02977	1.0
111.04400	1.0
113.02456	4.8
114.93417	1.1
116.92897	1.4
119.03519	3.8
121.06620	1.0
125.06096	1.0
127.00393	2.7
128.03545	2.0
130.08752	2.0
135.04559	2.0
137.39839	0.8
143.04718	1.1
143.08685	1.4
144.07806	0.8
149.04601	0.8
149.06122	2.5
152.01181	1.6
159.08185	2.3
161.02478	1.2
161.04613	1.8
163.04080	0.9
167.03456	1.0
172.05341	2.1
173.04558	3.9
175.07635	1.0
179.03496	2.5
179.05586	1.7
187.07663	13.7
188.07887	1.1
189.00438	2.8
191.03514	7.5
191.05602	2.4
203.07109	1.2
213.05588	1.8
231.06616	100.0
232.06964	6.3
233.08177	1.8
249.07657	11.3
265.05630	1.0
269.10159	0.9
269.13748	1.1
269.30719	0.8
275.09219	14.9
276.09802	1.0
293.10272	6.0
294.10522	1.0
353.08810	1.8
411.12967	83.6
412.13300	9.6
429.14401	3.6
431.18985	4.2
455.15546	57.1
456.15765	7.7
471.15506	2.7
514.32568	2.0
515.14380	1.4
515.21295	2.1
515.33441	1.5
518.41449	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3066
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24837	0.0
55.01883	0.3
57.03451	0.1
58.00587	0.3
59.01378	5.6
59.98532	0.0
60.01725	0.1
68.41785	0.0
69.03471	0.1
70.40913	0.2
71.01382	4.6
72.01723	0.1
72.99295	0.3
73.02955	1.0
75.00903	0.1
81.03465	0.1
83.01400	0.5
83.05045	0.2
85.02959	1.2
85.03456	0.1
87.00884	0.6
89.02454	3.1
90.02824	0.1
91.04046	0.1
95.01387	0.3
97.02979	0.2
99.00909	0.2
99.04587	0.1
101.02451	4.0
102.15687	0.0
103.04052	0.1
105.57220	0.0
113.02461	2.1
113.06084	0.1
114.02805	0.1
115.04042	0.1
119.03513	0.9
125.02477	0.2
127.07647	0.3
131.03554	0.2
133.05104	0.3
143.03539	0.4
145.05086	0.1
149.04596	0.1
156.07036	0.1
157.05122	0.1
161.04575	1.6
179.05685	0.5
182.13087	0.1
205.19614	0.1
228.33455	0.1
233.22818	0.3
235.08208	1.2
236.08615	0.1
241.19553	0.1
253.09273	15.5
254.09662	0.8
259.20642	0.4
275.20108	0.3
277.21704	100.0
278.22046	10.9
469.08423	0.1
513.32043	0.1
522.27454	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	514.1829
Annotation	Unknow
Peak:m/z	Relative Intensity
54.76696	0.6
57.03439	1.3
59.01372	5.0
61.98832	5.8
68.53614	0.6
70.86426	2.1
71.01385	2.5
73.02956	2.0
73.42155	0.7
75.29230	0.7
77.63670	0.7
78.95918	1.9
83.01394	0.8
84.04558	1.3
85.02943	1.0
87.00878	0.8
94.03001	1.0
95.05043	4.2
96.00917	1.0
96.96014	1.1
99.00892	1.5
101.02469	0.9
107.03782	1.5
108.59702	0.6
109.02937	1.2
110.02498	2.8
110.06126	13.8
111.06480	0.8
112.04053	12.5
113.02442	1.6
118.06614	3.3
120.04511	0.7
121.02914	0.8
121.05340	1.3
122.06132	51.9
123.03279	24.0
123.06434	1.8
124.04065	19.2
124.07709	0.8
126.90454	0.9
127.00377	2.8
134.06096	0.9
135.04564	1.5
136.07716	0.9
138.05623	100.0
139.05940	4.6
139.17923	0.7
140.07176	4.3
144.04544	1.6
146.06131	29.6
147.06918	13.6
148.04117	1.0
148.07715	4.7
149.04872	1.7
150.05602	5.2
161.04881	8.2
161.06087	1.6
162.05583	1.7
173.04883	1.2
177.01897	1.2
178.05087	7.2
179.05894	3.9
182.04623	7.2
183.05403	4.8
184.06158	19.6
189.00461	3.7
192.04346	0.7
207.06659	2.5
215.04333	0.9
218.78413	0.9
239.08168	1.8
253.09795	8.9
255.11340	3.3
256.11633	0.9
257.12930	17.9
258.10129	2.3
258.13211	1.6
267.08676	3.8
267.11380	8.4
268.12115	10.5
269.12918	57.0
270.13382	5.7
285.12476	7.7
286.12769	1.2
287.13986	18.1
288.14346	1.7
295.10831	1.5
300.11093	3.7
313.12048	2.0
331.12976	2.4
368.16217	1.2
378.18265	2.5
380.16129	5.0
390.18137	5.4
391.17981	0.9
396.19254	1.4
398.17163	3.6
408.19284	13.0
409.19452	1.9
410.17255	0.9
426.20334	9.7
427.20731	0.9
434.17184	4.1
437.10495	1.1
440.18579	1.6
452.18210	40.1
453.18610	6.0
459.19461	0.8
470.19293	89.1
471.19690	15.8
514.17230	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.1831
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98409	0.8
55.51450	0.9
57.03445	1.0
59.01381	9.6
61.98843	4.8
70.03001	0.9
71.01393	3.9
71.69445	1.0
73.02943	5.0
80.05047	0.9
83.01379	2.8
84.04568	2.3
85.02937	1.8
87.00916	1.2
89.02449	1.4
93.03479	1.6
95.05060	4.2
96.04594	1.1
96.96037	8.7
96.98809	0.8
97.01672	1.1
97.06614	0.7
99.00885	2.8
101.02451	2.9
107.03777	1.8
109.02939	1.5
110.02470	2.8
110.06139	16.7
111.06462	0.9
112.04065	12.3
118.06664	3.7
121.05342	1.5
122.06146	41.6
123.03289	26.9
123.06432	1.8
124.04079	20.6
124.07688	5.0
125.04378	1.0
126.90340	0.9
127.00407	6.3
127.05151	0.9
128.03561	1.0
132.04532	2.5
133.05276	1.6
134.03763	0.9
134.06148	1.7
135.04512	1.5
136.07681	1.0
138.05632	100.0
139.05966	4.1
140.07201	5.6
145.06239	2.1
146.06139	33.8
147.06941	10.5
148.04059	1.3
148.07686	6.2
149.04811	1.6
150.05621	4.8
154.08745	3.2
161.02443	2.8
161.04866	8.2
161.06111	1.4
162.05573	2.0
166.05043	1.7
173.04738	1.4
176.03513	1.9
177.05583	1.0
178.05093	6.7
179.05865	4.5
182.04591	9.1
183.05458	4.2
184.06163	21.3
184.07524	1.0
185.06445	0.9
189.00441	8.9
191.05620	5.4
196.07681	1.2
207.10515	0.8
213.44597	0.7
214.12366	1.5
215.04243	1.1
219.06598	1.3
220.06822	1.0
226.12383	1.0
227.08209	2.5
239.08203	1.8
253.09801	5.5
254.10199	1.0
255.11372	3.4
257.12961	23.4
257.15640	1.3
258.13184	2.5
267.11423	6.5
268.12170	7.8
269.12943	55.2
270.13223	3.9
283.10995	1.7
285.12451	11.6
286.12848	1.6
287.14017	49.3
288.14432	4.9
288.17203	0.8
295.10895	1.8
300.11096	3.6
313.12003	4.9
331.13004	8.5
368.16116	1.7
378.18277	1.0
380.16080	3.5
381.17447	0.9
390.18152	2.8
392.16492	1.0
398.17276	5.2
399.17572	1.3
408.19290	14.3
409.19214	1.4
410.17227	1.1
426.20319	10.3
427.20508	1.8
428.12436	1.1
429.14517	3.8
434.16971	1.2
440.18512	1.3
452.18262	35.5
453.18491	5.7
470.19342	68.8
471.14178	2.1
471.20404	9.0
514.18085	0.8
514.28339	1.3
515.12732	3.0
515.22791	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	513.3068
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.3
57.03448	0.2
58.00581	0.2
59.01377	5.9
60.01714	0.0
61.98844	0.1
63.84912	0.1
69.03479	0.1
69.96683	0.0
70.53595	0.1
70.53920	0.1
71.01383	4.4
72.01724	0.1
72.99312	0.3
73.02949	1.0
73.03306	0.1
78.95904	0.1
81.03469	0.1
81.81503	0.1
83.01398	0.5
83.05054	0.2
85.02953	1.0
87.00873	0.6
89.02451	3.4
90.02783	0.1
91.04045	0.2
95.01385	0.3
97.02985	0.2
99.00880	0.3
99.04539	0.1
101.02451	4.2
102.02820	0.1
103.04047	0.1
112.01635	0.1
113.02469	2.0
114.02872	0.1
115.04000	0.1
119.03512	1.0
125.02492	0.2
127.07705	0.2
131.03545	0.2
133.05086	0.3
141.09296	0.0
143.03543	0.4
152.99631	0.1
157.05075	0.1
161.04572	1.6
179.05629	0.5
192.34871	0.1
197.11839	0.1
205.19611	0.1
233.22850	0.3
235.08217	1.2
236.08652	0.1
253.09274	15.7
254.09607	0.8
259.20642	0.4
261.88193	0.1
275.20047	0.4
277.21704	100.0
278.22052	11.9
446.92316	0.1
450.42023	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.0697
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09563	0.2
57.03446	1.4
59.01374	6.5
60.01702	0.6
61.01805	0.4
61.98832	2.8
69.62394	1.5
71.01400	0.9
72.99300	0.2
73.02949	0.4
74.99101	0.2
78.95882	0.2
85.02949	0.3
89.02439	0.3
95.01371	0.2
96.96029	2.5
97.02941	0.5
98.95598	1.4
99.00883	0.5
99.04550	1.0
99.92591	14.2
100.92611	1.0
100.93372	1.0
101.02462	0.6
112.57185	0.2
113.02440	0.3
114.93404	0.3
114.94936	2.0
115.92089	12.1
116.92870	100.0
117.92890	6.0
117.93641	0.2
125.02456	0.2
129.95670	0.2
130.63338	0.2
138.98575	0.6
139.95724	0.7
141.01949	0.2
141.93579	0.4
142.94493	0.3
156.95987	0.8
158.93935	1.5
159.02945	0.2
161.04544	0.9
169.93210	0.3
170.93881	0.2
182.97551	2.7
183.94702	1.4
183.97670	0.2
184.95488	0.3
191.05605	0.2
192.05701	0.2
198.97087	0.2
200.94987	0.2
203.07120	0.4
204.07495	0.2
209.96344	0.2
224.98758	0.2
226.96521	12.2
227.96692	1.1
268.97604	0.2
286.25464	0.2
298.98685	0.2
310.98685	0.3
333.00760	0.3
351.01694	0.9
352.02390	0.4
353.03195	0.3
354.04138	0.2
391.04825	0.2
404.00430	0.4
427.12787	0.4
433.05774	0.7
453.13040	0.2
477.04974	3.8
478.05240	0.9
495.05881	0.2
513.07007	23.2
514.07190	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03467	0.2
58.00590	0.2
59.01377	100.0
60.01715	1.0
61.40749	0.2
61.98830	1.9
70.98647	0.3
70.98962	0.2
71.01383	2.9
72.99296	0.2
73.02951	0.5
80.78352	0.2
83.01418	0.3
85.02945	1.0
87.00904	0.2
89.02456	1.7
95.01398	0.4
96.96011	0.4
101.02445	1.7
113.02456	1.3
114.76746	0.2
116.08340	0.2
119.03531	0.7
161.04623	0.6
179.05762	0.3
189.00444	0.2
229.12469	0.5
253.04767	0.3
273.11209	0.9
305.04553	0.2
333.58084	0.2
343.20190	0.2
453.17642	6.1
454.17786	1.0
511.70624	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.2089
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.3
57.03446	0.6
57.70603	0.2
59.01379	0.8
61.98832	100.0
66.20148	0.2
67.01878	0.3
69.56291	0.2
70.86024	0.5
70.86391	0.4
71.01392	0.8
73.02975	0.3
77.54822	0.2
82.51166	0.2
83.01392	4.2
83.49530	0.2
85.02985	0.7
95.01410	0.2
96.96023	0.3
96.96965	0.4
97.02974	0.3
98.97462	0.2
99.00900	0.7
100.01682	0.7
101.02495	0.4
104.92874	0.2
105.01978	0.2
108.02235	0.4
109.02967	1.8
111.00898	6.4
112.04064	0.2
113.02467	1.1
113.19526	0.2
120.47189	0.2
121.02997	0.6
122.03781	0.9
122.06159	0.4
123.04542	0.8
125.02442	1.1
126.09312	0.3
127.00464	0.3
128.01172	0.8
129.96761	0.2
133.02963	0.4
135.04572	0.9
137.02463	0.9
138.05643	0.8
139.00394	7.1
139.01453	0.4
139.04050	0.8
140.00743	0.3
144.04585	1.2
144.13364	0.2
145.02962	0.2
147.04596	0.3
148.01711	0.4
149.02455	2.1
150.03279	0.5
151.04155	0.2
156.00667	6.5
157.01437	7.3
159.04568	0.5
161.02426	2.0
163.04030	1.3
165.01933	0.3
173.02551	0.3
174.03223	0.4
175.04068	0.7
176.01236	0.4
177.01965	1.9
177.05525	0.3
178.02658	0.3
183.12131	0.2
187.04065	0.9
188.04913	0.4
189.00453	0.3
189.02005	0.5
189.05658	0.3
189.07733	0.2
190.02724	0.4
191.03545	2.7
193.05077	5.0
194.05399	0.6
195.06693	0.6
201.05530	0.4
203.03566	1.5
203.07257	0.4
205.01410	2.6
205.05092	0.5
206.02229	3.3
206.05806	0.6
207.02623	0.3
207.06651	4.1
208.07074	0.4
215.03415	0.5
216.04245	0.4
219.02979	0.5
219.06700	0.9
222.05359	0.4
223.06139	0.6
231.02977	0.2
231.06680	1.1
233.04565	1.0
234.05331	4.4
235.05919	0.3
247.02451	0.3
247.06137	0.3
249.04056	0.4
251.05647	0.6
257.04559	0.7
269.13034	0.5
275.05627	1.4
277.03741	0.4
277.07141	0.9
278.04349	0.2
279.05130	1.7
279.08795	1.0
289.07187	3.2
290.07632	0.5
307.08231	24.6
308.08539	2.3
308.11639	0.4
332.42883	0.2
333.06207	0.3
351.07315	0.5
413.10883	0.3
441.10123	1.3
452.18225	0.4
464.79886	0.2
466.63565	0.2
469.13403	1.3
470.19424	0.9
481.09995	0.4
495.11493	0.7
513.12762	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	511.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01844	0.2
57.03447	37.6
58.03783	0.6
59.01377	6.2
61.98828	16.9
71.01385	0.9
71.72374	0.3
73.02966	0.2
78.60049	0.2
78.95920	1.0
81.03445	0.7
83.01398	0.8
85.02954	0.4
87.00902	0.4
88.98788	0.3
89.02468	0.3
93.03471	0.8
96.96027	0.7
99.00916	0.4
99.04527	25.9
100.04866	0.7
101.02451	7.3
109.01896	0.2
113.02449	0.2
113.64983	0.2
121.02969	100.0
122.03304	4.1
125.02461	13.6
126.02822	0.3
135.04491	0.2
135.60175	0.2
143.03471	0.4
173.04556	0.3
174.64809	0.2
191.05591	0.7
246.97820	0.2
289.19159	0.5
301.46085	0.2
311.57721	0.2
441.40143	0.2
449.14572	0.5
449.27536	0.5
511.18005	1.1
511.25629	2.2
512.18042	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.1929
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	0.3
59.01376	8.5
60.01715	0.6
61.98829	100.0
62.98514	0.3
70.13528	0.8
71.01370	0.9
89.02474	0.2
96.96053	0.2
96.96942	0.2
101.02451	0.4
121.02978	0.3
126.09262	5.1
127.09613	1.9
131.38414	0.2
146.63164	0.2
158.14442	0.2
161.04610	0.6
164.10849	0.7
182.11935	0.6
183.12291	0.3
184.13515	0.2
184.95573	0.2
232.13379	0.5
233.13818	0.5
282.25519	0.2
286.14520	0.8
288.16074	1.8
289.16400	3.1
289.19498	0.3
362.09708	0.2
448.19913	0.3
512.19757	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	0.4
59.01377	3.7
61.98831	5.7
69.69121	1.6
71.01389	1.1
73.02932	0.6
73.25886	0.3
73.92591	0.2
83.01401	0.5
85.02943	0.5
87.00893	0.4
88.98814	0.4
89.02448	0.7
93.03468	0.8
96.96015	1.1
99.04507	0.5
101.02460	0.9
108.02242	0.3
113.02454	0.6
117.03467	1.5
119.05042	81.8
120.05371	3.3
120.99660	0.3
123.04580	0.4
124.69228	0.2
125.02532	0.4
125.03532	0.4
127.00399	0.3
135.04546	0.3
145.02971	8.9
146.03336	0.4
161.04591	0.4
163.04025	100.0
164.04369	4.0
177.05045	0.3
183.14940	0.3
189.00365	0.4
191.05740	0.3
193.05107	0.3
203.12918	0.3
211.65117	0.2
239.87364	0.3
253.04749	0.8
253.09721	0.3
305.04593	0.4
325.09277	7.5
326.09613	0.6
349.16544	5.1
350.16949	0.5
392.19669	0.4
449.14288	0.6
467.15753	0.3
511.22461	1.8
512.21259	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88037	0.4
59.01373	0.7
61.98831	100.0
64.85704	0.4
64.95463	0.4
69.93585	2.2
80.96407	0.4
96.37769	0.4
98.20631	0.7
112.87956	0.4
128.16324	0.4
154.01906	0.4
166.57072	0.4
180.21669	0.4
188.93077	0.4
201.53139	0.4
238.20520	0.4
299.77206	0.4
350.08029	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
71.70481	0.8
78.95906	0.6
84.82776	0.5
86.64579	0.6
92.50523	0.5
111.54250	0.5
112.03324	0.6
127.86704	0.6
141.04512	0.6
145.03030	0.8
191.05675	0.9
228.11470	0.7
277.21747	1.5
357.18246	0.6
410.73755	0.6
513.33020	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.255
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72755	0.3
61.98832	100.0
69.52719	2.3
69.53139	0.8
70.15030	0.3
78.95908	1.5
85.20683	0.3
92.92076	0.3
135.04575	0.9
152.99641	0.9
193.05078	0.4
215.82811	0.3
255.23297	3.2
279.23373	1.2
280.23599	4.7
280.26257	0.4
281.23941	2.5
282.24191	2.8
329.10635	0.5
452.27878	1.5
510.28433	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.1455
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	0.3
57.03435	0.5
59.01379	100.0
60.01717	1.2
61.98835	0.3
66.49725	0.2
71.01386	4.4
73.02969	1.0
78.95937	0.2
83.01399	0.6
85.02973	0.8
88.07841	0.2
89.02470	0.5
96.96024	5.1
98.19761	0.4
99.00887	0.6
99.04527	1.0
101.02463	2.0
113.02478	0.6
114.93416	1.0
125.02486	0.4
133.02953	0.3
134.46962	0.2
143.03584	0.2
147.04567	0.8
149.04602	0.4
161.04617	0.8
173.06116	2.2
187.04045	0.8
188.04750	0.4
191.05704	0.5
203.05583	1.5
203.07216	6.6
204.07515	0.6
413.14529	0.5
445.11639	0.3
451.12479	3.7
452.12952	0.5
511.07410	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.1951
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	1.0
59.01381	14.8
61.98828	5.7
62.78802	1.1
64.34107	1.1
70.02979	3.1
71.01402	2.8
72.00910	17.9
73.02962	2.3
78.95926	1.3
80.05060	1.7
82.02979	4.0
82.06630	2.3
87.92535	1.7
96.00961	1.4
96.04560	2.1
96.96048	2.3
98.02477	3.9
98.06086	2.0
98.19862	2.1
98.85000	1.3
99.00868	1.9
100.04095	2.6
103.92055	3.3
104.92776	1.4
108.02201	2.7
123.94660	1.7
124.07662	1.1
126.09237	5.9
128.03535	3.3
136.04091	5.9
136.07623	1.5
138.05632	2.9
140.07179	4.5
143.04677	1.4
144.03052	21.8
152.07199	9.8
153.06747	1.3
161.96159	1.9
163.08746	2.2
164.07201	9.8
169.09875	1.7
171.05428	1.1
180.06653	3.4
181.09810	7.4
182.08145	1.3
183.15007	2.1
197.09360	4.2
199.94122	1.6
208.06148	3.1
208.81834	1.3
225.08801	31.6
226.09056	1.7
232.13458	1.5
243.09851	100.0
244.10248	5.4
288.15985	6.8
289.19211	2.3
315.07358	2.4
332.15518	1.3
392.55093	1.2
492.65295	1.1
536.19977	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.219
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07180	0.2
57.03162	0.4
57.03448	9.0
59.01371	1.8
61.98830	100.0
62.98538	0.2
66.75675	0.2
69.16047	0.2
69.45907	0.4
69.46318	1.0
71.01382	0.4
71.47131	0.1
73.02945	0.3
78.95856	0.2
83.01390	0.2
88.98831	0.4
89.02433	0.4
96.96043	0.3
98.19868	0.3
99.04529	6.4
101.02458	1.8
103.16367	0.2
121.02968	23.1
125.02460	3.3
142.02711	0.1
159.26207	0.2
191.05650	0.2
204.10869	0.2
272.44095	0.2
318.05457	0.2
425.14825	0.3
450.23291	0.4
511.18240	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.2344
Annotation	Unknow
Peak:m/z	Relative Intensity
53.90932	0.4
56.33080	0.4
57.03443	4.7
59.01378	100.0
60.01713	1.4
61.04912	0.4
61.98832	18.2
69.24616	4.3
71.01379	5.3
73.02945	1.7
83.01385	0.4
85.02941	2.5
89.02457	0.5
93.03471	1.0
97.06598	1.1
98.20728	0.5
99.00876	1.0
101.02473	2.7
113.02482	2.1
113.06085	1.0
116.92844	0.6
126.09264	86.3
127.09637	3.1
140.67029	0.4
159.03046	0.6
161.04578	8.0
163.07651	1.6
164.10841	1.7
170.08215	0.6
182.11877	15.3
183.12204	0.9
188.03534	0.7
232.11174	0.9
232.13412	10.6
232.26865	0.4
241.86479	0.4
270.14865	1.6
288.16052	63.5
289.16370	6.0
370.37762	0.5
432.20084	0.6
450.21283	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	510.2343
Annotation	Unknow
Peak:m/z	Relative Intensity
55.19893	0.3
57.03441	4.1
59.01378	100.0
60.01698	0.6
61.98827	5.1
67.78356	0.5
69.45348	0.8
69.45754	3.5
71.01389	5.3
73.02956	1.7
74.32059	0.4
75.00881	0.4
80.16264	0.4
85.02985	2.1
85.76523	0.3
89.90935	0.4
93.03475	1.3
97.06600	1.1
98.20666	0.7
99.00883	0.9
101.02460	3.8
113.02473	2.5
113.06078	0.4
126.09263	60.0
127.09607	2.4
143.03542	0.5
159.02988	0.9
161.04576	8.9
163.07697	0.8
164.10812	0.9
170.08266	1.0
182.11888	7.5
205.03441	0.6
232.13411	8.6
233.13731	1.1
248.15491	0.5
256.23380	0.4
270.14847	1.5
288.16046	48.4
289.16400	4.9
427.40106	0.4
450.21170	2.0
451.21683	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2498
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74056	0.3
51.48494	0.3
57.03437	0.3
59.01378	100.0
60.01718	1.1
61.98829	17.0
70.61361	0.9
71.01397	1.3
72.99274	0.3
73.02967	1.0
85.02948	0.6
87.00858	0.3
89.02470	0.7
96.96026	0.6
101.02484	0.3
115.92143	0.4
116.92844	0.3
119.05041	1.8
120.99664	0.3
121.03220	0.2
121.04097	1.7
127.00377	0.4
134.06157	0.3
139.05174	0.5
163.04060	1.6
163.05206	0.8
177.01950	0.4
191.05710	0.5
193.12372	0.3
195.13980	0.8
205.06163	0.7
213.14941	1.8
215.16524	0.3
253.08838	0.3
259.17007	0.6
299.17688	0.4
302.17651	2.3
317.18546	1.4
329.17865	0.3
343.14761	0.3
347.18561	0.4
359.19727	2.4
377.22101	0.5
381.13412	0.3
449.22910	9.2
450.23392	1.4
509.26093	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	509.2886
Annotation	CHEBI:68981
Peak:m/z	Relative Intensity
59.01379	7.5
61.24723	0.3
61.98820	1.3
66.02028	0.5
68.39291	0.5
71.16367	0.8
76.70282	0.4
78.95908	20.1
85.40930	0.4
90.76160	0.4
92.56475	0.4
96.96976	2.0
152.99602	32.3
171.00661	2.2
193.22687	0.4
207.03857	0.4
222.11192	0.4
227.03229	4.7
245.04329	5.2
281.24844	100.0
282.25201	10.4
344.66779	0.4
350.66809	0.4
376.80814	0.4
417.23978	0.6
509.28812	70.4
510.29123	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	510.0887
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25816	0.3
51.59254	0.3
57.03444	0.4
59.01378	48.4
60.01707	3.3
60.38838	0.3
61.01778	0.4
61.98830	17.8
63.02398	0.6
65.00313	0.7
71.01402	1.9
71.04261	0.4
71.04597	0.6
73.02962	1.2
83.01405	1.0
85.02953	1.0
87.00864	0.4
88.98790	0.5
89.02449	0.5
93.03438	0.3
95.01398	0.4
96.00915	1.8
96.96011	4.2
98.95625	0.4
99.00923	0.7
101.02443	1.1
107.01406	2.1
108.02192	0.9
109.02953	2.1
113.02427	0.8
120.99667	6.4
121.02982	2.5
121.99998	0.8
122.99191	0.4
127.00384	1.0
135.00903	0.4
142.66405	0.4
148.01656	1.0
151.00378	10.6
151.08817	0.4
152.00745	0.5
153.01956	0.6
161.05956	0.4
163.00398	2.7
163.04002	0.6
164.01109	0.5
169.01468	0.9
173.06093	0.3
174.03210	0.4
178.99870	5.9
189.00386	0.9
191.05627	0.6
192.00699	0.6
199.03989	0.5
200.04901	0.4
201.05536	0.8
203.03526	0.3
211.03941	1.1
213.02046	0.3
215.03429	0.4
220.06889	0.4
226.02760	0.8
227.03502	3.0
229.05016	0.8
243.02995	5.3
244.03326	0.6
245.04539	1.5
254.02197	1.6
255.02969	17.9
256.03381	1.6
271.02451	31.9
272.02789	3.1
273.03845	1.3
273.07159	0.3
283.02460	1.8
284.03302	1.8
285.03894	0.8
299.02054	0.8
300.02737	61.8
301.03476	48.0
302.03900	4.1
447.09299	100.0
448.09631	13.2
450.11176	0.6
467.15909	0.6
468.16431	1.6
509.16901	1.6
509.29626	2.5
510.17194	3.1
510.30161	0.8
511.18536	0.9
527.37079	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2367
Annotation	Tricalysioside A
Peak:m/z	Relative Intensity
52.68549	0.2
55.01863	0.4
57.03444	0.4
57.81259	0.3
58.00593	1.4
59.01379	35.5
60.01710	0.4
61.98829	4.5
71.01385	18.4
71.04994	0.5
71.43481	0.6
72.99310	1.6
73.02937	0.9
79.66959	0.3
83.01396	0.9
85.02951	3.4
87.00868	1.5
89.02452	19.6
90.29192	0.2
95.01385	1.0
96.96031	0.3
101.02459	11.2
102.02775	0.4
113.02459	7.2
116.92877	0.4
119.03525	9.2
119.05022	0.8
121.06635	1.6
127.00390	0.3
131.03513	1.0
141.42198	0.3
143.03528	2.3
149.04575	0.8
157.06712	0.3
161.04594	2.4
163.04034	1.3
170.83932	0.3
179.05630	9.9
179.07207	0.5
180.05981	0.3
189.12856	5.9
190.13164	0.4
196.55959	0.3
204.29663	0.3
213.15097	0.4
233.11841	2.4
264.87711	0.3
285.18588	1.2
288.27127	0.3
303.19653	6.8
304.19986	0.8
327.12558	0.4
329.17557	14.9
330.17941	1.8
347.18634	100.0
348.18967	12.0
361.20322	1.5
378.33301	0.3
389.19720	7.1
390.19876	1.1
449.22342	1.4
509.23898	80.9
510.24258	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	509.2025
Annotation	Hypochoeroside G
Peak:m/z	Relative Intensity
50.78606	0.7
55.01872	1.7
57.03439	2.4
58.00597	1.7
59.01382	35.6
61.98832	7.3
70.80055	1.7
70.80419	1.2
71.01382	29.6
72.29964	0.7
72.99297	2.4
73.02950	10.2
73.89416	0.7
83.01408	3.8
83.04976	0.8
85.02956	13.2
87.00886	1.9
89.02456	10.4
93.70284	0.7
95.01404	2.1
95.69263	0.8
96.96011	3.4
97.02949	0.9
99.00890	2.6
101.02457	18.4
105.03465	0.9
111.00925	0.7
113.02454	10.9
116.92877	0.9
119.03522	4.6
119.05035	2.9
123.04575	4.3
125.02451	1.4
129.01866	0.9
143.03413	1.0
149.02419	2.7
155.08707	1.5
155.54694	0.7
159.03055	1.4
160.53386	0.8
161.04572	9.1
163.04036	3.5
167.03490	1.7
173.09700	2.2
179.05669	1.3
179.20450	0.8
183.13876	2.3
185.13371	3.9
186.13753	0.8
189.00418	1.0
191.05533	0.9
195.13922	3.3
199.11273	1.6
203.07205	1.8
211.11273	10.8
213.14961	20.4
214.15327	0.9
221.13506	1.0
223.14946	15.7
224.15245	2.0
225.15077	0.9
229.12303	1.0
237.12787	3.7
237.39903	0.9
239.14441	3.7
241.15985	27.5
242.16286	2.6
249.12773	0.8
253.09320	6.2
255.10286	6.7
261.18494	1.1
267.13928	4.3
272.88409	0.9
285.14966	3.4
286.15710	1.0
311.12943	0.9
329.13962	16.4
330.14078	2.2
403.21088	2.2
421.22034	2.1
423.23816	2.2
425.39639	0.9
428.18213	0.9
465.15369	1.2
465.21378	11.1
466.21539	1.4
509.20193	100.0
510.20554	16.0
537.89691	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.1298
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	0.4
59.01377	100.0
60.01705	1.1
61.98831	3.5
69.43849	0.7
69.44270	1.7
71.01388	2.4
73.02950	0.7
79.95762	0.3
80.96521	0.2
83.01405	0.2
85.02974	0.7
87.00874	0.4
89.02453	0.3
89.76604	0.2
96.00942	1.0
96.96020	6.7
99.00897	0.5
101.02469	0.8
107.01461	0.2
113.02470	0.6
120.99666	9.8
121.02997	0.6
127.00421	0.3
143.05040	0.4
151.00381	1.4
158.03839	0.2
161.04597	0.2
161.06029	0.5
163.00397	0.3
173.06081	0.5
178.99870	0.7
189.00426	0.5
191.05573	0.3
196.28053	0.2
201.05528	0.6
211.04033	0.3
217.05060	0.7
218.02167	0.8
219.06645	0.8
227.03462	0.4
229.05083	0.3
240.04504	0.2
243.02988	0.9
245.04529	0.8
255.02997	2.3
255.06770	0.4
271.02448	4.5
273.07614	0.9
283.02399	0.3
297.15738	0.4
300.02744	10.0
301.03537	6.4
318.29645	0.3
363.10553	0.5
407.09927	0.6
447.09308	15.1
449.10718	1.7
467.15988	2.8
468.16370	0.3
491.28671	0.4
508.30905	0.6
509.16855	7.1
509.28934	1.6
510.17346	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.1793
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.4
57.03458	2.3
58.00594	1.1
59.01379	100.0
60.01726	1.1
61.98838	7.2
71.01385	17.0
71.71043	1.5
72.99313	1.5
73.02950	5.1
74.86514	0.8
83.01408	3.0
85.02958	6.7
87.00887	3.0
88.98811	0.7
89.02454	10.3
95.01409	2.1
96.96022	5.9
97.02946	1.0
99.00909	1.4
101.02447	16.2
113.02464	11.2
116.92909	1.0
119.03513	4.4
120.81882	0.7
120.99677	1.5
125.02448	0.9
127.00446	0.9
131.03514	0.8
142.13629	0.7
143.03502	1.3
152.07233	0.7
161.04590	2.5
175.02536	1.1
179.05624	2.3
192.03062	0.8
195.13957	1.6
225.15016	1.9
283.25473	0.7
284.03363	2.2
285.03967	3.7
347.24292	0.7
365.18338	1.1
369.19165	25.5
369.23654	1.5
370.19763	2.6
387.20270	13.3
387.24988	1.2
388.20862	1.7
429.21280	40.7
430.21613	6.2
447.09427	4.8
466.20215	1.1
481.20175	0.7
508.31076	1.5
509.16464	0.8
509.23615	1.5
509.31302	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	507.2807
Annotation	Foliasalacioside H
Peak:m/z	Relative Intensity
55.01878	0.7
56.44250	0.3
57.03446	0.7
58.00589	1.2
59.01378	48.7
60.01704	0.4
60.99257	0.3
61.98824	1.3
71.01383	17.5
71.04993	0.6
71.44380	0.2
72.01702	0.3
72.99315	1.7
73.02950	2.4
81.24603	0.3
83.01376	1.9
85.02954	5.1
87.00897	0.9
89.02448	12.8
95.01382	1.3
96.96067	0.3
99.00899	1.0
101.02448	12.4
108.20369	0.3
113.02457	6.8
119.03519	4.8
127.00407	0.7
131.03479	0.5
137.09729	0.4
139.11378	0.3
143.03522	0.5
149.04518	0.3
161.04504	0.6
165.12892	0.7
167.10780	0.4
167.97305	0.2
168.11464	0.3
170.48933	0.4
170.91319	0.3
179.05656	0.7
183.13994	0.3
189.00523	0.3
191.05652	0.3
249.18517	0.3
260.45901	0.2
265.21762	0.5
271.18082	0.3
272.16589	0.7
315.13617	0.2
315.17114	5.1
316.17651	0.4
327.21716	0.4
345.22787	0.6
346.94492	0.3
416.51123	0.3
447.25851	0.6
489.27069	3.6
503.72617	0.3
507.28061	100.0
508.28360	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	507.2964
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	2.4
61.11032	0.4
61.98824	1.5
71.01402	0.8
71.61462	0.7
84.83735	0.4
89.02441	0.6
91.04020	1.1
112.09730	0.5
117.03490	20.6
118.03816	0.8
119.05045	32.0
120.05411	1.3
121.02980	3.9
123.04524	1.5
133.02953	1.5
134.03766	0.8
134.41180	0.4
145.02974	100.0
146.03331	4.3
162.03191	0.7
163.04028	23.9
164.04288	0.7
193.05173	0.6
227.94690	0.4
240.06303	0.4
251.71198	0.5
269.21182	1.4
287.22281	8.5
288.22937	0.5
297.11090	0.6
325.10339	0.5
334.52359	0.5
347.25681	0.9
415.24881	13.5
416.25201	1.5
433.26007	14.5
434.26178	1.7
507.29623	76.5
508.29956	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	507.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.3
57.03426	2.3
58.00579	2.7
59.01378	65.0
61.98833	5.5
66.29327	0.6
69.75553	3.4
69.75983	2.1
71.01384	58.3
72.01727	0.9
72.72521	0.6
72.99315	4.3
73.02955	16.1
75.00899	0.9
77.12118	0.6
78.95878	1.7
82.90019	0.7
83.01402	3.8
85.02962	9.7
85.40029	0.7
87.00869	2.7
87.04533	1.1
89.02451	76.2
90.02780	1.4
93.03488	1.1
95.01389	2.8
96.96004	2.0
97.02950	1.9
97.06673	0.7
99.00890	25.2
100.01210	0.9
101.02456	36.5
102.02830	0.9
108.33453	0.7
113.02457	13.6
113.03177	1.3
114.02768	0.9
115.03979	1.1
119.03544	10.6
119.05029	11.7
119.86501	0.8
125.02448	3.7
127.00400	4.8
131.03517	13.1
133.02979	1.1
139.52577	0.7
143.03523	2.6
149.04573	43.6
150.04819	0.8
155.10796	2.2
161.04561	3.8
163.04021	9.0
177.01888	1.0
178.02789	0.7
179.05632	5.8
189.00426	3.6
191.05615	12.9
199.09787	2.2
211.13414	0.8
221.06615	1.7
233.06706	0.7
244.94368	0.9
251.07669	4.5
267.19672	8.7
275.16483	1.0
283.11948	1.3
293.08548	1.0
293.17682	3.4
311.18604	4.5
315.18295	1.6
343.14154	1.1
406.66968	0.7
447.22330	100.0
448.22693	14.1
507.18707	2.8
508.23282	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	507.2725
Annotation	Unknow
Peak:m/z	Relative Intensity
62.06126	0.3
63.70184	0.3
71.58047	0.5
72.58015	0.3
72.75230	0.3
78.95908	8.9
96.54189	0.4
96.97003	0.7
107.19650	0.3
122.19297	0.3
133.89432	0.3
139.30688	0.3
152.99606	17.0
158.04402	0.4
171.00694	1.5
172.00490	0.3
185.07310	0.3
198.80014	0.4
227.03290	2.4
245.04396	1.6
261.22217	0.5
279.23291	100.0
280.23627	12.5
374.59064	0.3
507.27267	36.1
508.27646	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	507.2807
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25952	0.2
55.01000	0.2
55.01871	0.8
57.03442	1.9
58.00576	0.9
59.01378	23.2
60.01706	0.3
61.98833	1.4
69.03451	0.5
71.01384	13.5
71.05021	1.1
71.71224	0.4
72.99316	2.6
73.02951	2.4
83.01415	1.9
83.05030	0.4
85.02957	4.2
85.06593	4.6
87.00877	0.8
87.04535	0.4
88.98818	0.5
89.02454	7.6
92.57426	0.3
95.01398	1.2
96.96027	3.2
99.00871	0.9
99.08170	0.6
101.02455	8.9
101.06090	0.6
109.06581	0.4
111.08124	0.3
113.02454	4.6
113.09718	0.5
115.04012	0.5
116.92856	0.9
119.03526	2.3
119.05009	0.3
121.02936	0.4
123.08169	0.4
125.02431	0.5
125.09739	0.3
127.00391	0.7
127.11238	0.4
128.03539	0.9
129.05597	0.6
129.09230	0.7
139.11299	0.4
141.05579	0.4
141.09238	0.4
143.03447	0.3
143.04550	0.3
151.00371	0.3
155.10780	0.4
165.12866	1.5
167.14403	0.6
168.11539	0.3
169.01526	0.3
180.11678	0.3
183.13934	0.7
185.15433	0.3
187.09801	0.5
189.00421	0.5
193.16008	2.7
209.11855	1.0
227.12915	2.4
241.09738	0.4
242.89452	0.3
245.13939	0.7
247.20740	1.4
247.22998	0.3
265.21729	1.0
271.06177	1.0
272.09143	0.3
285.20676	0.5
291.19760	1.0
303.21817	1.1
309.20709	3.4
310.20859	0.4
327.21768	3.5
328.21985	0.5
345.22821	5.3
346.23181	0.8
447.26227	1.8
465.14444	0.4
465.27020	2.4
466.27173	0.5
489.26880	0.3
507.28085	100.0
508.28439	15.5
519.60388	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.223
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	1.8
58.00588	1.9
59.01377	37.9
60.07185	0.9
61.98829	6.1
63.68519	1.2
64.40467	1.1
71.01385	26.3
71.61629	1.8
72.99304	1.7
73.02954	1.6
77.71679	1.0
78.95905	1.3
79.80933	1.2
83.01392	2.5
85.02965	5.4
87.00870	3.3
89.02449	26.0
93.03479	2.1
95.01401	1.3
98.37117	1.1
101.02465	15.9
113.02470	12.2
119.03513	13.1
127.00389	1.7
134.03731	1.8
143.03505	2.0
148.00562	1.2
161.04570	4.0
179.05635	13.8
189.00441	1.9
189.50146	1.1
190.57211	1.1
193.05087	2.1
213.12851	19.7
214.13199	2.2
229.08696	1.2
247.86043	1.1
253.15904	3.2
255.17435	2.8
257.19107	9.6
258.19238	2.0
281.15417	2.8
283.16995	13.4
284.17456	1.5
301.18054	6.0
325.65518	1.1
327.16006	46.6
328.16388	6.4
341.17645	1.5
345.17068	84.7
346.17340	9.1
387.18140	13.7
388.18387	1.7
436.18341	1.2
462.34729	1.3
475.17123	1.4
507.22318	100.0
508.22543	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	507.2446
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16014	0.9
55.01872	1.6
57.03437	2.3
58.00585	3.5
59.01379	79.2
59.37502	0.9
60.01685	1.2
60.50250	0.9
61.98830	8.9
69.34199	10.8
71.01386	58.1
72.01704	1.3
72.99307	3.6
73.02948	15.0
75.00883	1.3
83.01397	5.5
85.02958	11.1
87.00874	3.3
89.02452	65.9
93.03462	1.4
95.01373	2.2
96.96023	2.8
98.19849	2.3
99.00892	14.7
101.02455	37.9
111.00820	1.6
113.02458	16.0
115.04036	1.3
119.03519	13.0
120.14630	1.0
125.02460	3.6
127.00378	6.7
131.03516	21.8
135.04538	1.7
137.02422	1.3
142.13950	1.0
143.03540	2.6
149.04575	35.0
150.04910	2.2
161.04532	3.6
177.01886	2.0
179.05629	7.2
183.10323	1.3
188.91679	1.0
189.00378	6.8
191.05618	13.3
210.05937	1.0
211.13374	1.3
221.06667	1.0
228.38152	1.0
233.06577	1.6
245.11459	1.4
251.07793	2.9
265.13416	1.5
293.08899	1.4
315.18082	3.6
323.87234	1.1
345.17020	2.3
447.22345	100.0
448.22705	13.7
463.25137	1.3
471.23557	1.3
507.23111	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1658
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06939	3.1
59.01379	7.4
61.98827	23.1
62.36174	2.6
64.37428	2.5
71.01392	24.2
78.95942	4.5
89.02473	3.1
91.01926	3.7
96.55196	2.7
96.96069	3.0
108.02184	3.8
109.02962	20.8
115.00388	66.1
121.02969	5.3
122.03772	4.5
123.04505	6.0
124.01692	9.9
133.02998	10.2
134.03761	77.5
134.04736	5.4
135.04504	3.5
137.02481	6.7
137.06067	3.5
138.03265	3.3
139.04080	4.1
145.02983	7.1
146.03770	4.4
147.04544	13.7
148.05276	8.9
149.06140	8.9
151.04042	5.5
152.99684	4.2
159.04556	7.2
160.05328	7.4
161.06068	4.6
162.03217	4.3
175.07646	4.6
177.05577	3.3
178.02747	7.9
189.00375	4.4
190.02687	5.3
191.05672	4.5
193.05051	64.0
194.05399	6.1
213.05548	7.0
223.07472	3.2
229.05067	5.8
237.05412	4.2
239.07091	6.2
240.04326	3.5
241.05089	14.4
241.08669	4.8
251.07353	3.9
252.07861	4.9
253.05101	10.0
254.05807	11.7
255.09724	3.0
256.07413	7.7
257.34393	3.4
266.05801	13.2
267.06631	18.2
268.07352	33.4
269.08167	75.3
269.21286	8.5
270.08560	7.8
270.21451	14.5
271.09897	14.5
271.21884	6.0
272.06882	9.2
277.05011	6.4
281.08221	20.8
282.08966	9.2
283.09723	47.8
284.10480	61.2
285.11099	12.5
287.09171	7.1
294.04959	4.4
295.06140	35.5
295.09479	5.1
297.07986	5.7
297.11298	100.0
298.08417	14.7
298.11746	12.1
299.09262	13.4
299.12869	20.4
300.13300	4.6
301.11252	4.1
301.14435	18.5
309.07678	5.1
310.08435	34.1
313.10831	74.6
314.11246	6.5
325.10831	67.4
326.11105	6.2
343.11752	5.5
343.21967	3.1
358.22729	2.8
387.10831	19.8
388.11371	3.6
388.39560	3.3
463.17859	16.8
507.22571	30.1
508.22586	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	507.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90935	0.9
55.29824	0.9
57.03447	1.2
59.01378	6.3
60.46796	0.8
61.98836	9.0
69.88921	0.8
71.01384	7.3
71.71111	1.8
72.99294	0.8
73.02956	2.4
78.35845	1.1
83.01414	1.4
85.02974	0.9
89.02454	1.2
93.03485	2.3
96.96035	1.1
99.00896	1.7
101.02419	1.5
106.04259	5.7
107.05046	35.2
108.02180	4.3
108.05360	2.1
109.02988	7.1
113.02464	1.6
115.00388	9.7
121.02966	2.0
123.04565	7.8
124.01685	2.6
125.02659	0.9
127.00366	2.8
133.02966	3.5
134.03766	5.3
135.04547	100.0
135.91217	1.1
136.04909	4.8
137.02484	0.9
138.03291	1.3
145.02957	2.7
146.03732	2.6
147.04550	6.1
148.05280	2.9
149.06024	1.0
150.03456	1.1
151.03973	2.8
158.03729	1.7
159.04533	6.2
160.01767	1.0
160.05273	2.8
161.02316	1.1
161.06056	3.3
163.04012	1.7
173.02393	1.0
173.06058	1.6
174.03168	1.4
175.04044	1.1
177.05605	1.5
178.02739	0.9
187.04013	1.2
189.00452	3.2
191.05568	1.4
193.05011	2.5
196.00980	0.9
197.06010	1.1
207.06561	1.4
211.13472	1.0
221.05966	1.7
222.06705	0.9
223.07581	1.6
224.04887	1.2
235.05965	2.3
237.05495	1.5
239.07173	2.2
240.04419	1.8
241.05025	4.5
241.08699	2.3
249.05574	2.4
250.06348	2.7
251.07054	3.7
252.07866	3.1
253.05103	2.7
254.05731	2.0
255.10240	1.4
256.07367	3.1
262.06302	1.0
263.07098	2.3
264.07968	1.3
266.05701	5.0
267.06595	11.9
268.07364	9.1
269.08157	19.9
270.08585	1.4
271.09842	5.7
272.06833	4.1
272.09518	1.1
277.04932	1.6
278.05829	1.7
279.06674	5.1
281.08154	9.8
282.09018	6.1
283.09705	14.4
284.07507	1.8
284.10507	18.0
285.11121	3.4
285.20554	2.7
293.04657	1.3
293.08221	2.3
294.05396	2.0
294.08606	1.9
295.06161	11.6
295.09335	1.6
296.06674	1.4
297.08121	1.3
297.11307	32.5
298.08408	4.3
298.11703	3.5
299.09192	3.1
299.12881	3.1
304.07053	1.4
308.06754	1.2
309.07599	4.5
310.08450	15.1
311.09015	1.9
313.10803	18.0
314.11182	1.4
320.06870	2.8
321.07672	1.7
322.08469	1.4
323.05560	3.3
323.09274	2.7
325.10849	24.3
326.07889	1.4
326.11270	3.0
335.09329	7.8
338.07840	3.8
341.10339	3.4
343.11887	2.3
353.10303	15.8
354.10696	1.4
369.09738	2.5
371.11441	1.0
387.10858	14.8
388.11041	1.6
395.11349	3.7
463.17712	4.5
471.14526	12.5
472.14606	2.7
477.15564	19.2
478.15814	3.2
489.15500	12.1
490.15643	2.3
507.16415	2.0
507.35010	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1615
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26081	0.4
51.64947	0.4
51.94111	0.4
57.03444	1.1
57.24410	0.4
59.01107	0.6
59.01376	6.8
60.01698	0.5
61.98827	5.2
71.01383	5.2
71.56908	0.6
71.57294	0.5
72.71991	0.4
72.99286	0.7
73.02945	1.3
77.92973	0.4
78.95902	0.5
83.01395	0.7
84.04582	0.7
85.02962	1.2
87.00885	0.8
87.77916	0.5
88.04031	1.3
89.02455	1.6
91.12856	0.5
94.02963	0.5
95.03793	0.6
96.00920	13.0
96.08205	0.6
96.96042	2.7
97.06611	1.0
99.00903	0.8
99.04524	0.5
99.92595	0.7
101.02476	2.2
101.03040	0.4
102.69336	0.4
104.05070	0.5
106.06620	2.1
109.01691	1.8
109.03076	0.4
111.97606	0.4
112.04071	0.5
113.02426	0.7
115.00385	4.5
115.08740	0.5
116.92868	2.1
117.92866	0.7
118.92622	0.5
119.03598	0.4
120.01254	1.6
121.02963	1.3
122.06149	1.1
123.04545	0.5
124.07689	2.4
127.00400	0.7
128.03545	0.7
129.10368	5.8
132.03113	3.1
132.04572	23.8
133.05370	9.4
134.06171	2.6
141.05577	0.7
146.06143	3.4
148.04066	1.3
150.05545	1.2
161.04594	0.5
162.05589	1.2
165.02103	0.7
165.04332	13.2
165.05626	0.7
168.03044	2.8
172.10957	1.6
175.02493	1.2
176.03471	1.1
176.07138	0.6
177.01862	0.5
177.04237	2.7
178.05066	1.4
186.09210	2.0
189.00368	0.6
190.88239	0.5
191.05562	1.4
198.09386	0.6
209.03325	4.1
210.07698	2.2
212.02063	0.8
213.06667	1.5
214.12393	2.9
215.11819	4.4
226.07420	0.8
229.09846	2.4
240.10225	1.5
241.09770	2.3
255.11444	1.1
257.12952	18.7
258.13287	1.4
259.11844	2.8
268.08325	0.6
276.17184	2.8
278.15070	2.4
283.10858	9.4
284.11203	1.1
301.11951	11.0
302.12354	0.9
323.53104	0.5
327.09631	1.4
345.10910	100.0
346.11230	10.8
373.18634	0.8
387.12021	0.8
447.22296	0.5
463.22235	0.7
489.19647	5.5
490.20334	0.8
507.16110	13.8
507.22406	0.6
508.16479	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	506.3249
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50458	0.4
54.31708	0.4
57.99438	0.4
58.66082	0.5
59.01359	0.5
61.98539	0.7
61.98827	11.8
63.94436	0.4
64.95235	1.4
70.32950	1.9
75.05405	0.5
76.36929	0.4
78.95909	21.1
88.98795	0.8
108.97892	4.2
110.98605	0.5
120.37646	0.5
122.00131	1.0
140.01208	5.2
152.99590	3.4
196.03813	10.4
214.04869	2.0
245.04399	0.5
259.16040	0.5
279.23346	0.8
309.27979	100.0
310.28329	11.0
310.31726	1.0
337.21790	3.9
409.40518	0.5
506.32513	41.7
507.20706	1.0
507.27380	0.6
507.32980	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	507.1615
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26081	0.4
51.64947	0.4
51.94111	0.4
57.03444	1.1
57.24410	0.4
59.01107	0.6
59.01376	6.8
60.01698	0.5
61.98827	5.2
71.01383	5.2
71.56908	0.6
71.57294	0.5
72.71991	0.4
72.99286	0.7
73.02945	1.3
77.92973	0.4
78.95902	0.5
83.01395	0.7
84.04582	0.7
85.02962	1.2
87.00885	0.8
87.77916	0.5
88.04031	1.3
89.02455	1.6
91.12856	0.5
94.02963	0.5
95.03793	0.6
96.00920	13.0
96.08205	0.6
96.96042	2.7
97.06611	1.0
99.00903	0.8
99.04524	0.5
99.92595	0.7
101.02476	2.2
101.03040	0.4
102.69336	0.4
104.05070	0.5
106.06620	2.1
109.01691	1.8
109.03076	0.4
111.97606	0.4
112.04071	0.5
113.02426	0.7
115.00385	4.5
115.08740	0.5
116.92868	2.1
117.92866	0.7
118.92622	0.5
119.03598	0.4
120.01254	1.6
121.02963	1.3
122.06149	1.1
123.04545	0.5
124.07689	2.4
127.00400	0.7
128.03545	0.7
129.10368	5.8
132.03113	3.1
132.04572	23.8
133.05370	9.4
134.06171	2.6
141.05577	0.7
146.06143	3.4
148.04066	1.3
150.05545	1.2
161.04594	0.5
162.05589	1.2
165.02103	0.7
165.04332	13.2
165.05626	0.7
168.03044	2.8
172.10957	1.6
175.02493	1.2
176.03471	1.1
176.07138	0.6
177.01862	0.5
177.04237	2.7
178.05066	1.4
186.09210	2.0
189.00368	0.6
190.88239	0.5
191.05562	1.4
198.09386	0.6
209.03325	4.1
210.07698	2.2
212.02063	0.8
213.06667	1.5
214.12393	2.9
215.11819	4.4
226.07420	0.8
229.09846	2.4
240.10225	1.5
241.09770	2.3
255.11444	1.1
257.12952	18.7
258.13287	1.4
259.11844	2.8
268.08325	0.6
276.17184	2.8
278.15070	2.4
283.10858	9.4
284.11203	1.1
301.11951	11.0
302.12354	0.9
323.53104	0.5
327.09631	1.4
345.10910	100.0
346.11230	10.8
373.18634	0.8
387.12021	0.8
447.22296	0.5
463.22235	0.7
489.19647	5.5
490.20334	0.8
507.16110	13.8
507.22406	0.6
508.16479	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	506.2538
Annotation	Cytochalasin M
Peak:m/z	Relative Intensity
55.85181	0.5
57.03439	1.2
58.00600	0.5
58.02975	10.0
59.01382	7.8
61.98828	6.1
66.03485	1.1
70.02998	0.5
71.01385	3.4
71.57453	0.9
72.00938	0.8
73.02940	2.8
74.02477	21.9
78.95880	0.6
79.95731	0.7
81.04590	2.0
82.02982	3.1
83.01393	1.5
84.04586	0.9
85.02956	1.6
85.04088	0.9
86.02479	9.1
86.02946	0.8
86.06141	1.5
87.00887	1.3
87.02752	0.6
87.05654	4.5
88.04073	0.7
88.98817	0.9
89.02462	1.5
95.02507	1.0
96.04573	1.1
96.96014	7.6
97.04082	2.2
99.00895	1.8
99.05650	19.2
100.05993	0.6
101.02452	1.7
101.07224	3.5
102.05636	4.2
107.06201	1.4
109.04089	3.6
109.07723	1.3
109.46046	0.6
110.02488	0.8
111.00912	0.6
111.05676	1.6
112.04049	2.1
113.02476	1.2
113.03575	1.0
113.07186	0.7
116.92853	2.7
123.00872	0.5
123.05637	1.4
124.01655	0.6
124.04041	1.4
125.02480	2.2
125.03576	4.5
127.00385	2.7
127.05154	4.1
128.03555	54.8
129.03905	1.3
134.03722	0.7
135.04630	0.8
135.05655	7.2
137.07217	1.7
139.05154	1.1
141.06734	3.4
143.04640	73.6
144.04979	2.0
145.06181	2.7
146.04605	7.8
149.07176	1.0
149.99532	1.4
153.06709	5.2
155.08235	0.9
166.09851	3.4
167.04643	2.7
167.08289	5.8
168.00679	3.1
170.03348	1.8
171.04103	2.2
179.04639	19.3
180.05081	0.7
181.06177	2.2
184.10905	0.9
185.05666	2.1
187.11690	1.0
189.00427	2.4
191.05687	1.3
192.06288	0.5
192.07797	3.2
196.02425	0.6
197.05646	3.7
210.08868	16.2
228.09877	1.1
233.15784	8.7
241.00185	1.0
254.07809	37.7
255.08138	2.3
272.08862	54.8
273.09149	3.8
288.18884	0.6
331.06552	1.2
377.21100	6.9
378.21503	0.6
413.28015	0.5
421.12244	0.9
463.08151	1.0
463.13773	0.7
465.26996	0.7
488.17514	1.0
488.24374	13.2
489.24820	2.6
494.21414	0.6
506.25397	100.0
507.11646	7.6
507.25928	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	506.1876
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54610	0.7
58.00605	1.2
59.01377	34.1
60.01717	0.6
61.98837	1.0
69.97364	3.9
71.01384	26.5
72.00909	13.0
72.01287	1.0
72.99315	1.3
73.02969	1.1
82.90374	0.6
83.01392	0.9
85.02951	3.1
87.00878	1.4
89.02449	35.7
92.04856	0.6
95.01399	1.3
101.02445	14.6
107.47293	0.6
113.02459	12.3
113.77154	0.6
119.03506	12.0
119.04984	0.7
131.03575	1.6
139.04030	1.4
143.03510	3.5
147.04538	40.8
148.04829	1.4
149.04610	1.5
161.04559	4.2
164.07182	90.3
165.07541	4.3
179.05608	19.8
216.46696	0.6
232.36678	0.6
299.75836	0.6
341.10889	100.0
342.11282	7.4
428.28070	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.2541
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40932	0.7
54.52632	0.9
58.02978	4.7
59.01377	4.0
61.98822	3.2
66.03472	1.1
69.34023	4.9
69.34448	3.0
70.02988	1.1
71.01407	0.8
74.02481	12.1
78.95894	1.3
81.04601	0.9
82.02985	1.5
83.03337	0.8
85.02975	0.9
86.02496	5.0
87.05644	2.9
90.00204	1.1
96.04596	1.0
96.96015	1.6
97.04087	1.2
98.19881	1.6
99.05640	9.8
100.00443	1.0
101.07169	1.6
102.05629	1.5
103.68661	0.8
108.63272	0.8
109.04094	1.0
116.01767	1.0
120.95226	0.8
123.05650	1.6
125.03523	1.3
127.05126	2.3
128.03560	33.1
131.04614	1.0
131.32588	0.8
135.05652	3.2
141.06689	2.4
143.04639	44.7
144.04922	1.0
145.06247	1.3
146.04602	3.6
153.06676	3.0
160.00771	14.6
166.09912	1.0
167.04601	3.0
167.08209	2.0
177.03384	3.8
179.04648	8.1
181.06107	1.6
185.05756	1.5
192.07813	1.1
197.05600	1.2
198.08853	0.9
210.08801	9.1
242.07854	2.0
254.07787	12.1
272.08856	21.0
288.06604	7.5
306.07651	100.0
307.07999	6.9
377.81412	1.0
385.73285	1.1
399.97763	0.8
476.58163	0.8
488.24115	2.3
507.24033	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2803
Annotation	Mucronine A
Peak:m/z	Relative Intensity
51.48222	0.5
59.01375	2.4
61.49337	0.6
61.98835	1.7
64.02422	0.6
69.46358	5.1
71.01380	0.5
78.95924	0.7
87.00902	0.7
89.02470	0.5
91.04012	0.6
93.03480	1.7
95.26490	0.5
98.01070	0.5
107.18900	0.4
111.00912	1.0
117.03486	20.5
118.03757	0.7
119.05042	31.7
120.05373	1.7
121.02946	3.6
123.04544	1.5
127.00389	0.5
133.02959	0.6
135.04518	0.5
145.02969	100.0
146.03293	5.7
152.99634	2.2
162.03253	1.2
163.04019	21.9
164.04393	1.0
172.84126	0.5
173.04546	1.1
186.40562	0.5
193.15961	0.9
193.97282	0.5
261.05576	0.6
262.51218	0.6
267.19727	2.2
285.20700	9.1
286.21094	1.0
331.44202	0.6
413.23346	13.8
414.23621	2.5
431.24368	14.5
432.24905	2.4
505.28030	76.7
506.28336	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	505.2569
Annotation	Unknow
Peak:m/z	Relative Intensity
58.03457	0.4
59.01387	2.1
61.32049	0.4
69.60779	3.0
71.01411	0.5
72.71337	0.4
77.38898	0.4
78.95906	28.1
91.49084	0.4
92.43254	0.4
96.96967	2.1
100.76700	0.4
118.33626	0.4
150.97943	0.5
152.99602	46.2
153.99977	0.8
163.29808	0.5
171.00665	2.2
173.52005	0.4
203.86577	0.4
222.47173	0.5
227.03235	5.1
233.22658	0.7
245.04361	2.3
253.22952	0.4
259.20782	0.9
277.21716	100.0
278.22061	10.6
350.26523	0.5
413.21057	1.3
505.25690	76.0
506.26053	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	505.2569
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	1.2
69.54951	2.0
71.01367	0.3
71.72369	0.3
78.95905	13.6
79.74923	0.3
96.96969	1.3
127.07674	0.3
152.99602	21.9
153.99948	0.5
171.00664	1.6
196.89236	0.2
227.03275	4.8
233.22833	0.4
245.04297	2.1
259.20715	0.3
275.20200	0.7
277.21710	100.0
278.22067	11.3
279.23233	0.9
279.65067	0.2
280.23663	1.3
413.20905	0.5
505.25674	51.1
506.25970	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	505.265
Annotation	Foliasalacioside E2
Peak:m/z	Relative Intensity
55.01874	0.8
57.03453	1.7
58.00594	0.7
58.03806	0.2
59.01379	31.4
60.01711	0.5
61.98825	1.7
67.01917	0.2
69.03459	1.1
69.55668	1.5
71.01385	23.8
71.05034	0.4
71.81583	0.2
72.01720	0.5
72.99329	1.4
73.02950	14.9
74.03295	0.2
75.00887	0.5
81.03491	0.3
83.01393	4.3
83.05037	0.7
84.02194	0.3
85.02959	7.0
85.06618	0.2
86.00116	0.3
87.00890	3.4
88.98813	0.3
89.02454	8.0
90.02786	0.2
93.03457	0.3
95.01401	1.6
95.05046	0.6
96.96060	0.3
97.02957	1.1
97.06594	3.1
99.00886	2.4
99.04533	0.4
99.08164	1.3
100.14587	0.2
101.02457	14.8
102.02824	0.3
109.06622	0.3
111.08197	0.3
113.02463	7.7
113.09776	0.4
114.02847	0.2
115.04056	0.5
117.99679	0.2
119.03525	1.8
121.10226	0.2
124.01701	0.3
125.02466	1.6
125.06129	0.2
127.00406	0.7
127.11316	0.9
129.09236	0.5
131.03526	1.0
135.08214	1.1
137.02527	0.3
137.09743	0.4
139.07721	0.2
139.11296	1.7
141.09219	0.2
141.12988	0.2
143.03522	0.9
143.07149	1.9
145.03020	0.2
149.04616	1.4
149.09790	0.3
151.11346	0.3
154.10039	0.4
155.10820	1.5
159.03043	0.4
159.04558	0.4
161.04579	2.8
162.56439	0.2
163.11272	0.2
165.12894	0.7
167.10789	1.7
167.14503	0.9
179.49193	0.2
181.08737	0.5
181.12418	0.2
183.10281	4.8
185.11858	0.3
189.00537	0.4
191.05672	0.5
191.80011	0.2
193.15982	0.3
199.07602	0.3
201.11354	2.5
203.18059	0.3
211.94543	0.2
219.17384	0.3
221.19063	2.0
225.11089	0.2
233.06680	0.6
245.19156	0.5
247.17084	0.5
265.18066	12.2
266.18423	1.0
283.19147	5.1
284.19571	0.5
285.20892	0.2
293.08865	0.4
301.20209	9.9
302.20663	0.8
307.19272	0.3
343.21368	0.5
352.49155	0.2
361.18735	0.2
361.29694	0.8
373.18689	2.4
373.22491	0.3
445.24490	6.8
446.24802	0.7
463.25446	11.8
464.25775	2.1
487.25720	0.4
505.26706	100.0
506.26974	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	505.1016
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30206	0.3
59.01377	10.8
61.98834	4.6
71.01390	4.1
71.05035	0.9
71.69434	0.6
72.99313	0.5
73.02944	2.5
75.00883	0.4
79.95727	0.5
83.01421	0.6
84.64596	0.4
85.02961	1.1
87.00906	0.9
88.06194	0.4
88.98811	0.4
89.02422	0.8
95.01399	0.5
96.96022	13.7
97.02988	0.7
98.95610	5.4
98.96433	0.8
99.00893	2.0
99.92593	25.9
100.92612	1.6
100.93398	2.3
101.02460	1.5
108.02094	0.4
109.02908	0.4
111.00935	0.4
113.02416	0.9
114.94936	1.5
115.00459	0.8
115.92093	31.6
116.92875	100.0
117.01953	1.5
117.92883	5.8
117.93655	0.8
121.02994	0.7
125.02475	0.7
127.00440	0.6
133.03004	0.5
134.03748	0.5
138.19221	0.4
139.00421	0.6
139.11324	0.7
142.94444	6.0
149.02518	0.4
153.12943	0.4
158.93921	1.0
161.04547	0.5
165.05643	0.6
165.09225	0.5
169.93089	1.2
170.93973	0.6
175.02448	0.4
176.01155	2.8
177.01947	28.2
178.02299	1.9
189.00404	1.1
196.95486	0.4
197.11827	0.6
197.87619	0.4
210.27557	0.4
224.84578	0.4
224.94955	1.9
226.96526	1.7
233.02596	0.7
237.05894	0.4
241.00153	2.7
242.95943	0.9
243.12267	1.4
244.97566	1.2
251.03880	0.5
252.00919	1.0
255.91827	0.4
260.96997	3.4
261.97296	0.4
265.05276	0.9
279.03360	0.6
281.04810	5.9
282.05035	0.4
283.01279	2.7
283.04498	0.6
307.02817	0.4
309.04352	8.5
310.04727	0.7
321.06244	0.7
323.06296	0.4
325.03802	1.5
327.00171	0.7
335.05869	1.1
339.07242	2.0
351.05597	0.7
361.05197	0.7
361.16638	2.0
364.06281	0.6
381.08261	5.3
382.08643	0.7
385.18549	2.0
392.05698	0.7
393.06253	0.9
403.19766	0.8
405.17874	1.2
407.18100	0.7
419.02972	0.7
425.09210	5.9
426.09442	1.1
445.20758	1.3
461.03888	5.8
469.08115	2.4
505.02896	3.8
505.10040	30.9
506.03665	0.6
506.10382	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	505.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	88.0
58.03764	2.0
59.01380	100.0
60.01706	2.4
61.98825	6.9
63.79697	1.1
71.01384	31.3
71.61665	2.3
72.99307	2.1
73.02951	11.2
77.33846	1.4
81.03467	1.4
83.01398	6.6
84.67410	1.4
85.02966	15.3
87.00903	2.4
89.02438	4.0
95.01391	2.4
96.96004	1.3
99.00887	5.2
99.04532	82.0
100.04885	2.4
101.02459	36.0
110.53378	1.4
113.02471	13.5
125.02470	28.2
133.02905	1.6
143.03546	3.0
159.02899	1.8
161.04591	10.5
177.01913	2.0
178.02785	1.3
189.00499	1.4
191.05569	2.1
211.13464	1.7
219.31310	1.4
258.55841	1.4
289.33096	1.5
299.19037	1.5
307.10474	1.7
327.21930	3.3
343.28635	2.4
345.16962	1.7
351.09418	1.5
361.12997	14.2
362.13110	2.0
505.17328	2.8
505.33881	19.4
506.15421	2.2
506.34091	2.0
532.71875	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.2811
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98820	0.3
57.03476	0.4
59.01371	1.4
61.98830	100.0
70.08565	1.4
71.01384	1.9
71.54977	0.3
72.99314	0.7
73.00459	0.3
75.00870	1.6
75.72743	0.3
78.95910	6.9
85.02960	2.3
87.00899	0.8
89.02468	0.5
90.64253	0.3
95.01434	0.5
96.22089	0.3
99.00895	1.5
113.02464	3.2
115.45045	0.3
117.01968	0.3
122.00147	0.4
139.07481	0.3
140.01216	2.2
145.76009	0.3
152.99615	0.7
175.02620	0.6
196.03786	3.2
214.04831	0.7
249.06293	0.7
255.23264	9.1
255.25851	0.5
267.07260	0.6
279.23325	0.8
300.16489	0.3
307.26413	33.2
308.26724	3.6
444.33450	1.2
504.31027	12.5
505.30283	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	504.3093
Annotation	LysoPE(0:0/20:2(11Z,14Z))
Peak:m/z	Relative Intensity
59.01365	1.0
61.98830	21.1
70.96502	0.5
71.01366	0.5
74.45062	0.2
75.00871	0.6
78.95908	21.4
85.02953	0.8
91.83273	0.2
96.96943	0.3
99.00883	0.5
103.00340	0.3
112.43229	0.2
113.02448	0.9
122.00133	1.0
134.98558	0.3
140.01202	5.5
143.07120	0.3
148.24683	0.3
152.31560	0.3
152.99585	2.0
165.39583	0.2
166.02844	0.3
171.00510	0.2
196.03807	11.0
197.04071	0.3
214.04895	3.0
225.22192	0.3
249.05913	0.3
255.23314	3.3
258.29926	0.2
265.02603	0.3
268.31741	0.2
279.23267	0.7
307.26413	100.0
308.26767	11.8
386.13257	0.2
444.33289	1.3
504.30933	37.0
505.30811	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	503.2415
Annotation	Unknow
Peak:m/z	Relative Intensity
63.28223	0.6
66.10459	0.6
70.09299	1.2
70.09705	2.5
78.95908	40.2
96.96986	3.1
128.62611	0.7
152.99603	57.5
153.99983	1.3
171.00658	19.2
227.03235	2.2
229.23216	0.7
231.21167	30.4
232.21503	2.6
245.04305	100.0
246.04623	4.6
275.20154	47.0
276.20535	5.5
483.40427	0.8
503.24109	38.3
504.24496	5.6
517.74841	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.0995
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45612	0.3
57.03438	0.7
59.01373	7.9
61.98830	40.6
71.01377	3.2
71.66567	0.6
72.94621	0.3
73.02944	1.3
75.00869	0.6
80.31807	0.3
83.01382	0.8
85.02943	1.0
87.00913	0.4
88.98809	1.0
89.02424	1.6
93.03523	0.4
96.96028	0.9
99.00899	1.1
101.02439	2.1
105.07099	1.2
107.05037	0.7
113.02459	1.1
115.00364	0.4
115.92133	0.4
116.92854	1.8
119.03522	0.5
120.29222	0.4
121.02968	0.7
127.00375	1.0
128.03540	0.8
130.08727	0.3
131.05038	0.7
143.04599	0.4
147.04572	0.5
148.01686	0.4
149.02399	0.6
149.06107	5.2
175.04007	1.5
177.05591	1.0
189.00397	1.1
190.02757	0.9
191.05547	0.7
193.05063	100.0
194.01784	0.4
194.05408	5.5
235.06059	1.8
262.64053	0.4
263.12869	0.4
293.28937	0.3
306.07501	0.5
307.11899	0.4
307.18958	0.6
309.96591	0.3
318.24417	0.4
371.16995	0.6
372.17621	0.6
504.12308	2.5
504.21414	1.2
504.28061	1.4
505.11752	0.6
505.20120	0.6
505.26721	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	503.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
54.76447	0.9
57.03444	5.2
59.01378	100.0
60.01705	1.0
61.14879	0.9
61.98820	6.1
69.03456	1.4
69.42426	7.4
71.01009	1.8
71.01385	29.5
71.01780	1.5
71.17313	0.8
72.99314	1.5
73.02949	26.5
74.03328	0.9
75.00860	2.2
83.01389	7.2
85.02960	8.0
87.00878	3.1
88.98789	1.4
89.01977	1.4
89.02448	8.4
95.01398	1.8
95.05016	1.0
96.96015	15.6
97.02937	2.9
98.02591	1.0
99.00883	4.1
99.04485	1.0
99.92589	2.6
101.02456	21.2
107.05096	1.4
109.02953	1.3
109.06640	2.2
111.04572	1.2
113.02460	12.2
115.00362	3.3
115.92037	1.7
116.92892	5.1
119.03534	3.1
121.06586	1.6
122.03753	3.9
123.04559	2.0
124.05330	9.4
125.02495	1.1
125.06095	3.6
127.00372	4.2
131.03490	2.1
133.06612	1.6
135.04494	1.8
136.85820	1.1
137.06070	5.7
139.07671	65.1
140.07997	3.5
143.03491	1.6
145.06328	1.0
146.47044	0.8
149.04666	1.9
149.09747	2.2
151.07620	3.4
153.09200	1.0
161.04588	11.0
163.07671	1.6
168.07933	32.9
169.08316	1.7
173.09714	1.4
175.07671	1.6
176.08324	1.4
177.01941	16.7
177.03375	1.9
178.02287	6.7
179.02353	6.4
179.05653	2.0
179.07140	1.9
179.10783	4.1
189.00401	3.2
191.00899	1.5
191.05594	1.4
191.10797	35.7
192.11119	2.1
203.05608	2.0
203.10780	5.0
209.11827	15.8
210.12126	1.5
221.11841	18.1
222.12062	2.0
239.12875	37.5
240.13159	3.3
249.19366	0.9
281.14047	1.1
353.12195	0.9
353.15982	6.2
371.17023	1.0
383.17081	28.0
384.17429	3.9
401.18332	4.6
406.05627	1.2
413.18271	6.5
443.19199	30.7
444.19476	4.0
497.43423	1.1
501.49374	1.1
503.13211	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	503.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27485	0.8
57.03452	4.4
59.01378	100.0
60.01709	1.2
61.98828	3.6
66.22165	0.7
69.03502	0.8
70.02967	4.5
71.01385	26.1
71.01780	1.3
73.02951	9.2
75.00868	6.1
81.03426	1.0
83.01385	5.0
85.02956	11.0
87.00886	2.6
87.04575	0.9
89.02463	7.6
95.01421	3.5
95.05019	1.0
96.96008	4.7
96.96986	0.8
97.02939	1.9
98.19991	1.3
99.00899	3.3
99.92612	1.6
101.02448	15.3
109.02950	1.0
109.06593	1.1
111.04587	0.7
113.02457	14.1
114.05623	1.0
116.92892	2.9
118.98054	1.0
119.03506	2.8
121.02976	1.4
121.06615	1.3
122.03727	1.5
122.66921	0.7
123.04607	1.0
124.05316	3.1
125.02482	0.9
125.06097	1.0
127.00396	2.6
127.04005	0.9
128.03549	1.0
133.06586	1.8
135.04567	2.4
137.06110	2.2
138.06882	0.8
139.07664	25.9
140.08041	1.2
141.05571	1.1
142.89581	1.0
143.03548	1.7
149.04640	1.1
149.05994	0.9
149.09749	1.7
150.06891	1.2
151.07642	7.2
159.03160	1.2
161.04573	15.5
168.07925	16.2
173.09668	1.0
176.08414	1.3
177.01913	1.3
178.02338	0.8
179.03650	0.7
179.05676	2.0
179.07161	6.5
179.10857	1.2
189.00403	3.2
190.00920	1.7
191.00894	2.2
191.05624	1.7
191.09064	1.3
191.10783	21.6
191.12433	1.5
192.11182	1.1
199.23138	0.9
203.10818	8.4
209.11797	4.7
221.11847	10.6
222.12273	1.1
239.12918	8.3
281.13791	1.2
294.57309	0.8
313.26483	0.9
353.16064	9.2
383.17090	46.1
384.17551	5.1
401.18256	3.6
443.19104	12.1
443.24338	1.0
503.25748	1.1
526.87128	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
54.19721	0.3
54.60150	0.4
55.01871	0.8
57.03437	1.8
58.00602	0.6
58.40019	0.3
59.01379	100.0
60.01713	0.9
61.98825	3.4
69.03485	0.8
71.01389	15.7
71.05011	0.6
71.69751	0.4
71.80054	0.4
72.99323	1.0
73.02956	6.1
75.00875	0.5
79.95738	0.5
81.03484	0.7
83.01394	3.8
83.05049	1.2
85.02957	4.9
87.00878	1.9
88.66286	0.3
89.02448	7.4
89.02945	0.5
93.03490	0.9
95.01413	1.5
96.96029	3.9
97.02998	0.8
97.06600	0.3
99.00905	2.4
99.05643	0.7
101.02448	10.6
111.00887	0.6
113.02457	8.6
119.03522	1.9
121.10255	0.9
123.08162	0.4
125.02472	1.3
126.47933	0.4
127.00379	0.7
129.02011	0.5
130.08763	1.2
131.03549	1.0
133.02983	0.4
135.04590	0.4
137.09782	0.4
139.07704	0.5
139.11407	0.4
139.33453	0.4
141.06789	0.6
143.03542	1.5
143.10825	1.0
143.11858	0.7
149.04572	2.7
155.11896	0.4
157.12341	0.7
161.04575	3.4
163.11398	0.6
165.09232	1.2
171.13840	0.4
179.05724	0.6
179.10774	0.6
181.12440	0.4
183.13966	0.7
189.00473	0.7
189.07097	1.8
189.09259	1.0
191.05658	0.9
201.14977	1.7
203.05678	0.7
207.10266	5.3
221.06693	0.5
221.11755	1.8
239.12825	0.8
256.99753	0.6
269.12766	0.4
281.17642	0.5
283.22888	0.5
299.18896	0.4
340.21274	0.5
341.22134	0.6
341.27142	1.3
342.99860	0.8
345.19031	0.5
359.28033	2.0
383.27997	1.9
443.19272	0.9
443.26343	0.4
449.14703	0.4
467.32303	0.4
473.24625	2.7
502.26205	0.5
503.09192	0.6
503.16272	1.3
503.25836	4.3
503.32468	15.9
504.16714	0.4
504.26752	0.5
504.32776	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1403
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25498	0.2
57.03442	2.5
58.03747	0.2
59.01380	4.8
60.99306	13.6
61.98834	2.5
71.01379	1.5
71.66494	0.4
73.02956	0.9
81.89719	0.3
83.01383	0.5
85.02989	0.3
88.98813	100.0
89.02458	0.7
89.99165	1.0
99.00892	0.4
99.04530	3.4
101.02453	1.5
107.65684	0.3
113.02452	0.6
125.02473	1.2
127.00352	0.6
127.05162	0.4
128.03517	0.3
143.03574	0.3
149.04581	0.3
189.00453	0.4
191.05594	0.4
193.01509	0.4
193.05055	6.3
237.05818	0.3
251.07150	0.4
266.05789	0.7
267.06628	0.8
269.10339	0.6
281.08292	0.6
282.09009	0.5
297.11264	0.6
311.11377	0.5
325.07126	0.6
326.07962	0.3
340.09613	0.4
341.10339	1.1
351.14230	0.3
358.99829	0.9
413.14597	1.8
452.53729	0.3
487.59164	0.4
503.15854	1.5
503.21323	0.4
504.15594	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	2.0
61.98816	2.8
70.13370	4.0
79.84299	0.7
106.11333	0.7
117.03474	7.0
121.35649	0.8
121.63853	0.7
125.14521	0.8
133.02969	4.5
134.03757	90.9
135.04584	5.1
137.02457	3.6
139.04019	1.3
149.06085	5.9
166.66180	0.9
178.02757	2.5
179.03529	7.9
193.05061	100.0
194.05466	5.5
196.89491	1.1
298.08524	1.0
313.10797	66.3
314.11166	6.5
351.17661	0.7
458.06302	0.7
503.34134	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1227
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	0.7
59.01380	1.9
59.25158	0.2
59.30832	0.2
61.98827	0.8
65.75032	0.2
71.01373	1.1
71.66189	0.3
73.02950	3.4
75.00885	0.7
83.01398	0.4
85.02998	0.4
87.00869	0.3
89.02473	0.4
94.57962	0.2
96.96029	0.7
99.00874	1.1
99.92597	7.3
100.92600	0.5
101.02455	0.4
113.02454	0.6
115.00385	0.9
116.07223	0.4
116.92875	100.0
117.01102	0.4
117.01952	6.9
117.05611	0.5
117.92884	5.8
118.05150	0.6
121.02936	0.4
127.00436	0.5
128.03587	0.4
130.08766	0.3
144.04605	0.2
145.06224	0.4
161.04637	0.2
179.07132	1.3
181.62689	0.2
189.00410	0.6
190.00856	0.4
191.00925	0.3
193.05067	0.6
200.14140	0.2
203.10873	0.4
221.11783	0.3
232.37413	0.2
341.10828	0.2
386.58548	0.2
392.15314	0.2
503.16064	0.5
503.25903	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.2657
Annotation	Unknow
Peak:m/z	Relative Intensity
54.37369	0.1
58.75340	0.2
59.01368	0.2
61.98832	100.0
62.98541	0.2
69.49978	0.2
71.51740	0.3
75.74055	0.1
78.54416	0.2
78.95919	0.3
98.90285	0.2
133.55400	0.2
134.03784	0.7
140.20244	0.2
149.06126	0.3
168.17833	0.2
193.05104	1.1
217.51341	0.1
248.74998	0.2
313.10748	0.8
444.19437	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.2656
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
62.98531	0.2
69.39902	1.5
73.89833	0.2
98.19878	0.3
201.99791	0.2
202.31834	0.2
215.42094	0.2
256.35031	0.2
305.24799	0.4
324.90665	0.2
329.76212	0.2
372.50323	0.2
396.00955	0.2
500.92795	0.2
502.29114	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.2654
Annotation	Unknow
Peak:m/z	Relative Intensity
55.65542	0.1
58.97257	0.2
61.98828	100.0
62.98510	0.2
70.74694	0.4
123.60464	0.1
170.58505	0.2
172.97266	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	503.1194
Annotation	Germanaism A
Peak:m/z	Relative Intensity
55.59898	0.3
57.03445	1.0
57.84690	0.3
58.41582	0.3
59.01380	11.2
61.98829	3.5
71.01385	2.5
71.05496	0.3
71.62199	0.5
73.02938	1.7
79.46895	0.3
79.99622	0.3
83.01392	0.9
85.02962	0.9
87.00868	0.4
89.02447	1.7
96.96030	0.7
99.00896	0.9
99.04565	0.3
99.92584	0.4
101.02460	1.9
113.02477	0.9
115.03992	0.4
116.92870	0.5
119.03516	0.8
119.05048	0.3
121.02969	3.5
122.03748	0.7
127.00393	1.4
128.03603	0.4
133.02972	0.4
134.03720	0.3
134.06096	0.7
135.00961	0.4
135.06491	0.3
137.02455	0.4
137.06216	0.3
138.03183	0.3
146.03700	0.6
147.00914	1.0
148.01688	5.4
149.02454	13.5
150.02943	0.7
157.45512	0.3
162.03239	0.4
166.02695	0.3
173.02443	0.3
175.00397	0.5
176.01210	1.9
177.01945	51.4
178.02319	2.7
178.05014	0.5
179.03548	0.4
179.05649	0.6
189.00400	1.5
190.02727	29.2
190.99915	0.5
191.03117	1.5
191.05632	0.7
193.01424	9.8
194.01894	0.4
201.01860	0.5
203.03502	0.3
204.00699	0.6
205.01430	19.5
206.01787	1.1
218.02199	61.0
219.02696	6.5
221.00856	0.9
231.02962	1.0
249.90051	0.3
281.17572	0.4
322.04828	0.7
340.05920	5.3
341.06650	9.3
341.19717	0.3
342.06900	0.9
375.34799	0.3
459.22040	0.6
503.11929	100.0
504.12271	16.1
504.23727	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.3064
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84348	2.7
58.00608	2.7
58.62381	2.5
59.01374	16.8
60.74553	3.2
61.98823	15.1
71.01369	17.2
71.58702	5.9
73.02953	11.2
78.31036	2.9
78.95916	3.0
85.02962	3.3
89.02458	5.0
98.34856	2.8
101.02456	8.9
113.02469	11.3
125.06158	3.7
216.71254	2.5
232.13228	2.6
263.23950	4.6
275.23703	5.8
279.23291	100.0
280.23526	7.9
281.22693	2.7
293.24823	68.9
294.25208	5.0
303.23343	6.7
321.24292	19.4
333.24402	3.5
426.14877	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	502.081
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52221	0.3
59.01377	3.6
61.98830	100.0
69.68436	2.8
70.02977	0.6
70.05285	0.3
71.01392	2.9
72.99310	0.5
74.02483	3.6
85.02927	0.4
87.00879	4.2
88.04059	0.4
88.39783	0.4
88.75133	0.3
89.02459	3.8
98.02501	0.8
98.20605	0.6
100.04455	0.3
101.02450	1.7
113.02481	1.3
116.03555	1.7
119.03511	1.2
131.03516	0.4
159.96556	16.3
160.06172	7.4
160.94113	2.8
161.00946	0.4
161.04543	0.9
179.05621	1.2
213.67160	0.3
341.10934	10.2
342.11276	1.0
364.00269	0.4
442.06030	1.8
503.16281	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	502.156
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55269	0.2
57.03461	0.5
59.01378	5.7
60.01710	0.2
61.98830	100.0
69.03436	0.2
71.01383	4.3
71.71500	0.4
72.99352	0.2
73.02945	1.3
79.21237	0.2
83.01405	0.7
85.02957	1.5
87.00902	0.3
89.02457	3.0
95.01390	0.3
95.05063	0.9
96.96019	1.0
97.02960	0.5
97.06611	0.3
99.00869	1.1
101.02448	2.3
113.02469	1.6
115.04079	0.2
119.03529	0.4
121.02962	1.7
122.03346	0.5
125.02452	1.0
127.00393	0.6
131.03519	0.6
133.02971	0.2
143.03529	0.3
149.04576	1.3
160.20021	0.2
161.04585	0.5
177.02069	0.2
189.00439	0.7
191.05647	0.5
233.06715	0.7
259.09772	1.0
268.05859	0.2
281.17410	0.2
293.08774	0.9
328.95575	0.2
357.26505	0.3
374.09735	0.2
416.16431	0.3
434.88721	0.2
439.16156	2.0
440.16104	0.4
441.16745	0.3
442.16678	0.3
443.19385	0.6
458.17572	0.4
501.30716	0.9
502.30835	0.3
503.32300	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2704
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02205	0.8
51.39770	0.7
59.01379	100.0
60.01719	0.9
61.98830	3.5
69.53473	5.8
71.01392	6.0
73.02948	5.3
78.95905	0.9
83.01405	2.4
85.02995	1.0
89.02456	2.0
96.96057	0.7
97.06580	1.3
99.00902	0.8
101.02462	9.1
113.02413	3.8
116.92901	1.3
119.03520	2.0
121.10279	2.9
125.06017	0.8
131.03549	0.7
141.86833	4.9
143.07156	9.0
146.79906	0.6
149.04625	1.1
152.99704	0.9
159.87923	3.5
161.04594	2.9
172.48376	0.6
179.05685	0.7
187.86078	6.3
202.62462	0.7
203.18152	1.6
207.13988	1.0
247.17006	7.3
247.19077	0.8
253.09254	10.8
265.18079	15.1
266.18472	1.5
371.94962	0.7
499.79117	0.8
501.31985	2.1
501.63953	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2704
Annotation	Unknow
Peak:m/z	Relative Intensity
57.82626	0.3
59.01378	100.0
60.01708	1.1
61.98552	0.4
61.98825	2.4
71.01389	1.2
71.69559	0.5
71.69981	0.4
73.02959	0.6
76.50330	0.3
83.01369	0.4
83.13613	0.3
85.02979	0.7
89.02459	0.7
95.01409	0.3
96.36282	0.3
96.96020	0.7
97.61862	0.3
99.00903	0.8
99.92591	0.6
101.02460	1.2
113.02479	0.7
115.92087	0.8
116.92856	3.1
123.11143	0.3
124.68703	0.3
127.00403	0.4
161.04625	0.4
189.00452	0.7
197.40773	0.3
233.37238	0.4
374.70334	0.4
403.46576	0.3
457.16608	0.6
465.99615	0.3
501.30804	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.3066
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15948	2.0
58.00579	3.5
59.01380	30.9
61.98818	5.9
71.01389	17.7
71.05733	2.6
71.06078	3.5
72.99311	2.0
73.02944	13.6
73.90424	1.8
75.00864	2.7
78.95916	2.5
85.02977	4.8
89.02470	3.4
101.02452	7.1
113.02447	8.7
119.32097	1.7
127.75259	1.6
139.07613	2.2
152.99602	3.2
173.08875	2.0
263.23758	3.3
275.23672	3.5
279.23288	100.0
280.23749	11.9
293.24857	65.6
294.25140	9.7
303.23294	5.2
321.24274	16.4
322.24768	3.0
333.24228	3.2
337.23901	2.1
392.18088	1.7
401.56177	2.0
484.19846	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	501.27
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56010	0.1
55.01860	0.3
55.06386	0.1
57.03444	0.6
58.00591	0.3
59.01376	10.5
61.98834	0.4
69.03451	0.6
70.84087	0.5
71.01385	5.1
72.99333	0.2
73.02953	0.8
77.63478	0.1
78.95927	0.2
81.03484	0.2
83.01388	0.5
83.05029	0.4
85.02946	1.2
87.00874	0.8
89.02444	4.0
91.04028	0.2
95.01398	0.4
95.05045	0.2
97.06580	0.4
99.00888	0.3
101.02454	4.8
111.08203	0.3
113.02459	2.3
119.03519	0.9
125.02491	0.2
129.05591	0.2
135.11790	0.2
141.09262	0.1
143.03581	0.2
149.09727	1.3
149.13399	0.4
150.55212	0.2
151.11314	1.1
153.09221	0.2
155.10800	0.2
161.04562	2.1
167.10785	16.0
168.11166	0.8
177.09177	0.9
177.91476	0.2
179.05588	0.5
181.08748	0.1
183.10265	0.2
183.13950	0.3
195.10260	4.3
196.10677	0.3
203.18069	1.7
207.13870	0.7
221.19041	0.2
228.10017	0.5
229.15979	0.2
235.08215	0.4
237.18665	0.3
247.17007	6.9
248.17285	0.6
253.09270	25.9
254.09683	1.3
265.18054	100.0
266.18408	8.8
266.20667	0.1
318.89532	0.2
339.25223	0.2
390.06949	0.2
432.20175	0.3
464.18900	0.9
501.25775	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.2675
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	87.8
60.01718	0.7
61.98840	3.3
70.82316	0.6
70.82652	1.3
70.86671	0.5
78.95909	23.6
96.96989	1.7
120.16728	0.6
152.65845	0.7
152.99597	48.1
153.99939	1.1
165.24698	0.5
171.00623	3.5
225.22285	1.0
227.03284	8.8
228.03537	0.7
245.04337	4.5
253.21870	1.2
258.98175	0.6
271.22766	81.1
272.23135	8.2
277.21713	0.8
355.21649	0.6
499.26749	100.0
500.19925	0.9
500.27155	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	501.026
Annotation	Unknow
Peak:m/z	Relative Intensity
57.23396	0.3
58.25412	0.3
59.01378	81.4
60.01718	1.0
61.98836	0.9
62.33976	0.3
62.47298	0.2
69.36751	2.6
72.99317	0.3
90.97159	0.6
118.96658	0.3
132.98203	1.9
157.03571	2.9
159.01521	2.2
174.99265	22.6
175.99596	0.5
192.96153	0.4
201.02565	32.2
202.02713	3.4
217.00301	100.0
218.00624	2.9
292.96469	0.4
340.12427	0.2
343.03711	3.1
344.04074	0.4
359.01468	72.6
360.01648	9.0
373.78024	0.3
399.04684	0.5
470.81012	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1314
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	1.1
59.01371	0.8
59.23935	0.2
60.02424	0.2
60.99298	0.2
61.98834	0.9
62.96415	0.4
63.40997	0.2
70.93069	0.7
71.01393	0.6
73.02943	1.1
78.95911	100.0
83.01393	0.8
85.29804	0.2
88.04053	0.3
88.98816	1.5
93.03461	0.6
96.96084	1.8
96.96974	27.6
98.95602	0.6
99.00889	1.0
99.04568	0.3
99.92616	0.3
101.02454	0.5
108.02192	0.3
115.92083	0.7
116.92887	1.1
119.05017	0.3
121.02965	0.5
123.04547	0.6
127.00381	1.6
130.08696	0.3
132.02159	0.3
133.02977	1.2
146.08275	0.4
148.01682	0.6
149.02470	1.1
176.01176	3.3
177.01952	46.4
178.02296	2.5
178.91164	0.2
181.02747	0.5
185.09215	0.2
189.00432	2.3
191.05681	0.3
193.91106	0.2
208.03784	0.6
218.11946	0.3
265.74448	0.2
277.12231	0.6
280.05832	0.6
323.10104	0.3
339.07907	0.5
357.08914	51.1
358.09201	4.0
376.01706	0.2
381.83121	0.2
392.67426	0.3
399.09946	6.1
400.10211	0.6
439.13004	2.4
483.11472	0.3
501.12805	36.2
502.13116	4.9
527.45471	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1486
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	0.8
59.01380	12.5
61.98823	1.9
66.77478	0.4
69.89227	0.4
70.62714	0.8
70.63078	0.9
71.01387	3.8
71.05009	0.6
72.45717	0.4
73.02959	2.7
78.95907	34.0
79.95731	3.5
80.96518	1.4
81.03516	0.4
83.01399	1.5
83.05035	0.6
85.02956	1.7
89.02470	1.7
91.05528	0.9
91.66749	0.4
95.95264	0.7
96.96021	100.0
96.96928	10.3
97.95963	0.7
99.00895	1.4
101.02462	2.2
103.00402	1.1
104.98071	0.4
108.71873	0.4
113.02477	1.7
119.45911	0.4
123.04546	0.4
124.91609	0.4
125.02416	0.4
125.06044	0.9
127.00407	0.8
130.57176	0.4
134.04745	5.4
138.95995	0.4
138.97102	1.2
149.06093	0.5
150.98061	0.8
179.27701	0.4
181.08733	0.8
189.00375	0.9
192.99135	0.6
199.13390	0.6
209.11897	0.5
211.00133	0.8
225.00693	0.5
225.11356	1.0
238.40565	0.4
241.00246	1.5
259.01349	1.0
259.17007	0.7
263.16617	1.0
315.18307	1.0
328.04764	0.5
340.21088	0.7
346.05579	23.6
395.13928	1.5
413.14856	66.1
414.15237	6.6
455.15906	61.7
456.16223	6.8
481.13721	1.4
499.14883	25.4
500.14792	2.5
500.19641	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.2674
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80162	0.3
58.58181	0.3
59.01377	79.1
60.01712	1.2
61.98827	1.2
71.42800	0.5
78.95907	11.6
96.96992	0.8
103.47518	0.3
114.52453	0.3
123.08375	0.3
137.12677	0.3
144.59767	0.3
152.99600	13.3
171.00652	2.9
172.42969	0.3
186.98329	0.3
225.22256	0.3
227.03288	2.0
231.00578	0.3
245.04291	8.1
246.04431	0.3
253.21725	0.7
260.25131	0.3
271.22754	100.0
272.23108	9.7
409.64349	0.4
454.43524	0.3
499.26733	45.7
500.27188	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	499.1456
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	9.9
58.03782	0.3
59.01379	1.0
61.98821	0.7
67.39603	0.2
69.38058	0.2
69.68800	1.2
71.01412	0.2
73.02952	0.5
81.03462	0.4
83.01378	0.3
89.02437	0.3
96.96032	0.2
99.00892	0.3
99.04527	11.4
100.04890	0.3
100.08083	0.2
101.02452	3.0
105.07097	1.5
107.05015	1.3
111.94092	0.2
125.02462	9.9
126.02822	0.2
127.00379	0.4
130.87424	0.2
131.05054	0.8
135.08182	0.2
143.03578	0.4
149.02423	0.6
149.06094	7.0
150.06430	0.3
175.04027	1.5
177.05551	0.5
180.60107	0.2
189.00368	0.3
193.05063	100.0
194.05394	6.1
235.06097	1.2
277.10776	0.2
305.08743	0.5
337.09354	0.2
355.10321	0.2
413.13916	0.2
455.15497	0.6
499.14276	1.1
500.14682	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.109
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39216	0.6
57.03427	0.9
59.01105	0.8
59.01375	9.4
59.45485	0.6
60.99306	13.6
61.98831	13.5
71.01362	3.1
71.70869	0.8
73.02948	3.9
74.99097	1.5
80.12061	0.5
83.01384	1.8
87.00881	2.4
88.00404	2.7
88.04059	0.7
88.98808	100.0
89.02448	29.6
89.03014	0.7
89.99125	1.1
90.02783	0.7
96.96060	0.7
99.00880	1.0
101.02432	2.9
106.95676	0.6
113.02477	0.7
120.97996	0.6
127.00373	2.1
131.03497	0.7
136.99161	2.1
137.02461	0.7
149.04518	0.9
161.04552	0.9
189.00435	2.9
190.00751	0.7
191.05595	1.2
216.71846	0.7
221.82550	0.6
227.57565	0.5
251.35732	0.6
293.54013	0.6
312.19089	0.6
315.67557	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	2.1
57.03445	8.7
58.00585	2.0
59.01377	46.6
59.48840	0.9
61.98830	33.4
62.99082	1.0
69.39330	3.1
69.39748	6.0
69.60314	1.0
71.01386	48.0
72.01730	1.9
72.99304	4.1
73.02557	2.1
73.02949	35.8
78.95919	2.1
81.03480	1.1
83.01388	20.4
85.02956	9.8
85.81898	1.0
87.00887	6.6
88.98792	2.2
89.02452	59.9
90.02782	2.2
93.03468	4.2
95.01398	1.5
96.96031	6.7
97.02932	2.5
99.00889	37.3
101.02448	36.7
102.50925	1.1
102.93240	1.2
109.01764	1.0
109.02970	2.5
111.00854	1.2
113.02473	11.4
115.00279	1.6
115.03948	1.2
116.92848	3.9
118.06684	1.2
119.03501	6.8
121.05352	1.7
125.02479	5.2
127.00394	47.6
128.00737	1.3
131.03540	6.6
135.04555	8.2
137.02469	2.0
142.99893	2.5
143.03506	2.7
146.06169	4.8
149.04565	23.8
150.04988	1.1
151.03976	1.9
153.01910	1.2
161.02448	1.3
161.04552	3.9
166.05122	1.0
167.03578	5.0
178.99861	1.1
179.03477	2.8
179.05592	3.7
189.00420	61.9
190.00783	1.5
191.04016	1.9
191.05644	21.3
192.06013	2.5
201.11156	1.0
207.01442	5.8
219.06602	3.3
221.06712	1.4
241.09798	2.0
251.07692	2.2
255.11383	2.2
268.12170	1.3
271.02405	1.3
275.05655	1.8
293.08701	3.3
299.01801	1.4
305.16104	1.7
347.16788	1.0
410.21234	1.3
437.10571	4.1
437.20276	100.0
438.20605	11.9
454.19778	13.9
479.11853	1.3
497.13068	3.1
497.22488	2.2
498.22754	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.1
57.03450	3.4
59.01378	21.7
60.01690	0.4
61.98837	0.4
67.01887	8.6
69.03471	0.4
69.59373	0.6
69.59778	2.2
71.01385	9.1
72.99312	0.6
73.02949	21.5
73.69029	0.3
75.00875	0.4
76.35839	0.3
82.39126	0.3
83.01391	11.5
85.00885	0.3
85.02956	2.5
87.00871	1.2
87.42358	0.3
89.02451	2.8
95.05035	0.4
96.96015	1.2
98.20673	0.4
98.95579	0.3
99.00886	9.4
101.02450	6.3
101.58148	0.3
107.05044	1.0
113.02450	2.2
117.01982	0.6
119.03522	1.1
119.08698	0.6
127.00387	24.1
128.00708	0.7
131.08690	3.7
142.99889	1.7
147.08218	0.5
149.06120	1.3
161.04904	0.5
161.06088	2.6
162.06924	1.8
163.07678	4.4
173.06065	1.1
175.04105	1.4
175.07654	51.5
176.07996	4.3
189.00421	27.1
189.05566	1.5
189.09222	0.7
190.00797	1.3
191.07149	1.1
193.05075	1.0
201.05560	1.0
201.09131	2.6
202.09749	0.4
203.10786	3.2
205.05081	1.0
206.05830	1.0
207.06622	4.1
208.07082	0.4
213.09227	3.8
215.10678	0.4
217.05081	2.6
218.05702	0.4
219.06625	9.5
220.07010	0.9
229.08681	0.4
230.05873	0.5
231.06628	0.6
231.10239	6.4
232.10518	0.5
235.06081	1.3
238.04825	1.1
245.08180	0.7
247.09750	1.4
249.11333	3.6
250.11583	0.5
256.07303	0.7
257.08221	1.1
263.09177	2.6
266.28690	0.3
274.08383	1.8
275.09235	10.4
276.09595	0.9
277.10855	0.7
293.10294	3.6
309.58505	0.3
328.66196	0.3
343.04489	0.3
393.15833	0.7
411.17313	1.7
412.16827	0.4
437.14548	6.4
438.14951	1.2
453.13834	0.5
455.15509	9.4
456.16104	1.5
479.16028	0.6
497.16623	100.0
498.16934	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	497.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01815	0.4
57.03386	0.4
59.01295	12.8
59.01626	2.0
61.98746	2.1
67.34650	0.2
69.66122	0.7
69.66526	0.6
71.01298	7.1
71.01727	0.6
72.99252	0.3
73.02866	12.1
73.03320	1.0
74.03211	0.3
75.00823	0.3
78.95853	0.3
79.05473	0.2
79.95657	2.0
83.01390	4.3
83.01841	0.3
84.70412	0.2
85.02950	1.2
87.00818	0.4
89.02451	1.3
95.95196	0.4
96.96022	13.1
99.00896	2.5
101.02452	6.0
103.00302	0.7
104.64348	0.2
105.03437	0.3
109.02918	0.4
113.02453	2.2
116.92780	0.2
118.06566	0.3
119.03465	0.5
119.04903	0.2
123.03214	0.5
124.03989	0.5
124.07648	0.2
125.02428	0.4
127.00385	5.3
127.66145	0.2
131.03442	0.4
134.03661	0.2
138.05653	2.3
142.99812	0.4
143.03432	0.3
146.06131	1.1
147.06905	0.2
149.04507	0.6
149.05936	0.2
152.01122	0.5
152.98572	0.3
155.56395	0.2
157.06581	0.5
157.64531	0.2
161.04652	1.1
173.02400	0.3
184.06123	0.4
185.06096	0.3
187.07622	0.8
189.00421	5.6
190.00690	0.3
191.05566	0.3
191.07133	0.4
198.06799	0.3
203.07158	0.5
206.98705	0.2
213.05582	31.5
213.09023	7.5
214.05925	2.6
214.09560	0.7
214.11562	0.2
215.07118	0.6
217.05049	0.8
229.08708	0.6
232.03716	0.3
241.00290	0.4
247.09666	0.3
257.08179	100.0
258.08502	9.0
259.09763	0.5
271.14523	1.7
275.09192	1.8
293.10324	0.5
392.19989	0.2
410.21188	0.3
411.13345	9.0
412.13412	1.0
436.19257	0.5
437.14520	1.2
453.14355	5.2
454.14841	0.6
454.20255	1.7
455.16077	0.8
479.16406	0.3
497.17123	13.4
498.17401	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	2.6
57.03449	9.6
58.13099	0.4
59.01370	1.6
62.48022	0.4
64.52443	0.3
69.53658	1.0
69.54076	2.2
71.01380	4.0
73.02950	57.5
74.03284	1.1
75.00881	0.8
79.63581	0.3
83.01392	38.2
84.01733	0.5
87.00874	2.1
87.06547	0.4
96.96036	1.9
98.20721	0.8
99.00890	34.0
100.01251	0.8
101.02470	3.1
110.46484	0.4
117.01948	1.5
127.00391	92.7
128.00729	2.3
134.03786	0.6
142.99890	6.3
145.01443	1.4
164.38145	0.4
170.99330	2.1
189.00418	100.0
190.00722	3.4
247.13835	0.6
269.16956	0.4
335.15170	0.5
351.62021	0.4
393.64801	0.4
411.13211	0.8
453.14496	1.0
497.13263	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50245	0.5
53.52415	0.5
55.01868	1.4
57.03442	5.8
59.01377	3.8
61.98796	0.7
66.64880	0.4
69.03443	0.6
69.24120	5.3
71.01395	4.2
73.02951	29.6
81.03459	1.2
83.01395	18.4
85.02964	2.7
87.00880	1.3
87.04522	3.9
93.03458	0.6
95.01388	1.7
96.96021	2.1
97.02967	0.9
99.00893	19.3
99.01546	1.0
99.04447	0.6
101.02442	2.0
108.02189	39.8
109.02982	28.0
113.02454	0.6
117.01936	0.8
121.02998	0.5
123.00931	1.2
123.04475	0.5
127.00392	49.0
128.00731	1.4
135.04591	0.5
135.08192	0.8
137.09726	4.2
139.07639	0.9
142.99869	3.1
145.01434	0.8
146.71751	0.5
151.03998	0.7
152.01172	56.6
152.59842	0.4
153.01970	23.5
154.02284	0.6
155.10803	18.9
156.11134	0.7
163.03992	1.1
169.12465	0.5
169.53651	0.5
170.99313	1.7
179.10777	1.3
181.08670	1.1
189.00424	50.7
190.00735	1.3
191.10860	0.7
199.09792	3.7
212.04404	0.5
223.09648	0.6
223.51268	0.5
241.10854	1.5
255.12350	0.6
283.11884	1.3
411.13251	1.3
453.17957	3.8
473.09930	0.5
479.15741	0.5
497.16638	100.0
498.16986	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	495.2726
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	3.8
63.23434	1.2
71.20152	3.0
71.20509	1.6
78.95905	46.6
96.96970	4.1
145.57568	1.4
152.99599	67.6
153.99934	1.8
171.00635	19.0
203.11465	1.4
214.92014	1.6
215.92102	1.6
227.03206	5.2
245.04300	100.0
246.04604	4.2
267.23279	57.2
268.23599	6.5
326.04260	1.5
480.91394	1.5
495.27310	56.8
496.27475	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	496.255
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	0.8
61.98831	100.0
78.95914	1.5
84.42693	0.4
89.40135	0.5
91.64447	0.4
152.99535	2.2
169.60396	0.5
171.00681	0.7
214.72345	0.4
245.04318	4.9
325.29340	0.5
377.61453	0.5
497.25208	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.2551
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	0.7
61.98830	100.0
71.57977	0.5
78.40748	0.4
78.95941	1.4
108.53616	0.4
119.05054	0.7
119.98798	0.4
120.38027	0.4
133.61334	0.4
145.02959	3.8
152.99641	1.2
163.04088	0.9
171.00714	0.8
245.04268	2.6
264.19550	0.6
287.22482	0.7
335.23361	2.3
358.14377	0.4
379.22067	0.5
433.25961	6.2
434.26636	0.7
497.25534	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.1302
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	2.5
55.95992	0.6
57.03447	9.3
59.01374	3.8
61.98827	2.3
70.18365	1.9
71.01389	6.6
73.02952	58.4
74.03300	0.6
75.00879	1.1
81.03471	1.1
83.01395	37.0
84.01743	0.7
85.02994	3.0
87.00884	2.7
87.04530	2.4
89.02453	0.7
95.01389	1.1
96.96040	1.3
97.02972	0.6
99.00890	36.1
99.04529	0.6
100.01246	0.6
101.02444	3.0
108.02187	38.1
108.49728	0.6
109.02979	25.6
110.03335	0.7
113.02511	0.8
117.01979	1.2
123.00877	1.0
127.00391	92.7
128.00710	2.8
135.04518	0.7
135.08217	0.8
137.09723	5.1
139.07620	0.8
142.99892	5.9
145.01460	2.0
152.01173	59.5
153.01962	22.2
155.10796	17.2
156.11113	1.2
161.04800	0.6
170.99362	2.1
179.10783	1.5
181.08748	1.1
189.00426	100.0
190.00740	3.3
191.10796	0.6
195.03012	0.7
199.09787	3.3
232.51845	0.8
234.05476	0.7
241.10745	1.2
265.06998	0.7
283.12000	0.8
359.44702	0.6
392.15411	0.7
453.17822	2.6
497.16638	91.2
498.17053	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	495.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	3.2
59.01379	100.0
60.01707	0.7
61.98828	19.8
69.02779	0.8
69.72511	5.2
71.01398	3.3
73.02956	1.8
75.00874	0.7
79.95750	1.0
80.59953	0.6
81.95341	0.7
83.01388	0.8
83.06470	0.7
85.02978	1.8
87.00862	0.6
87.04523	5.5
89.02461	1.0
96.96021	12.5
97.95974	0.7
98.95621	10.8
98.96440	1.9
99.00860	1.1
101.02456	3.5
103.04024	60.2
104.04386	1.4
113.02484	1.4
120.27425	0.5
127.00416	0.9
133.03003	1.5
134.03764	0.7
153.44550	0.6
161.02524	1.5
161.04579	1.3
168.53825	0.6
171.58287	0.6
291.08853	1.7
306.07645	0.7
349.18799	0.8
435.15857	0.7
435.22253	2.5
453.16467	7.9
453.22632	1.1
495.17688	22.8
495.29575	1.0
496.18127	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	495.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	3.2
59.01379	100.0
60.01707	0.7
61.98828	19.8
69.02779	0.8
69.72511	5.2
71.01398	3.3
73.02956	1.8
75.00874	0.7
79.95750	1.0
80.59953	0.6
81.95341	0.7
83.01388	0.8
83.06470	0.7
85.02978	1.8
87.00862	0.6
87.04523	5.5
89.02461	1.0
96.96021	12.5
97.95974	0.7
98.95621	10.8
98.96440	1.9
99.00860	1.1
101.02456	3.5
103.04024	60.2
104.04386	1.4
113.02484	1.4
120.27425	0.5
127.00416	0.9
133.03003	1.5
134.03764	0.7
153.44550	0.6
161.02524	1.5
161.04579	1.3
168.53825	0.6
171.58287	0.6
291.08853	1.7
306.07645	0.7
349.18799	0.8
435.15857	0.7
435.22253	2.5
453.16467	7.9
453.22632	1.1
495.17688	22.8
495.29575	1.0
496.18127	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	495.274
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	6.1
71.72703	1.5
72.82534	1.7
78.95905	17.2
80.04431	1.4
108.02166	2.4
117.03465	6.6
123.04549	2.1
133.02985	7.0
134.03755	100.0
135.04468	5.7
136.70662	1.5
137.02428	4.5
139.03998	2.1
140.44969	1.4
149.06100	8.8
152.99590	24.1
159.37112	1.4
162.03233	12.8
171.00655	5.6
177.05537	7.3
178.02673	3.0
179.03586	8.8
193.05061	98.4
194.05391	4.8
245.04298	27.7
267.23279	19.9
268.23688	2.4
298.08466	1.7
313.10800	80.1
314.11096	7.6
315.19598	5.2
316.20419	2.1
326.30597	1.8
331.22894	2.0
370.28284	1.5
375.21829	20.0
376.21924	1.7
433.23331	2.7
449.65762	1.7
495.27182	19.2
496.27316	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	495.2744
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47541	0.8
61.98822	2.1
64.87209	0.7
65.61288	0.7
71.27967	1.1
78.95908	8.2
81.74073	1.0
96.96971	1.1
98.65775	0.8
99.00865	1.4
108.02167	2.2
117.03462	5.8
123.04520	2.5
133.02989	5.4
134.03760	93.0
135.04454	3.9
137.02455	2.8
139.04083	1.5
148.05350	1.2
149.06107	9.0
152.98418	0.9
152.99600	12.0
162.03247	43.3
163.03583	1.8
171.00667	2.7
177.05582	33.5
178.02734	3.1
178.05914	2.4
179.03506	7.3
189.05667	1.0
193.05066	100.0
194.05371	5.5
227.03191	0.8
242.67751	0.7
245.04292	17.1
260.17752	1.6
267.23251	9.5
268.23761	0.7
275.20184	1.5
298.08466	1.4
313.10806	88.6
314.11179	9.8
341.67783	0.8
350.41699	0.7
375.21774	8.0
376.22055	1.2
471.35196	1.0
495.27341	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	494.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01348	0.1
61.98830	100.0
62.98530	0.2
69.52377	0.1
70.81944	0.5
83.30752	0.2
119.05084	0.2
124.98856	0.1
129.74330	0.1
145.02977	0.7
146.08290	0.7
163.03995	0.2
217.11815	0.2
224.09830	0.2
277.12299	2.0
291.60394	0.2
431.24628	0.6
478.10303	0.2
495.27130	0.3
513.31567	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35110	0.2
61.98829	100.0
69.56444	0.2
70.29563	0.9
80.78976	0.2
115.76398	0.2
116.72101	0.2
117.03503	0.5
119.05044	1.0
145.02969	5.1
152.99712	0.3
163.03986	1.0
204.60518	0.2
221.90060	0.2
285.20895	0.3
312.75314	0.2
363.76770	0.2
431.24374	5.2
432.24884	0.9
495.22467	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26850	0.5
55.01326	0.4
58.85814	0.4
59.01102	0.7
59.01376	8.2
61.98834	4.4
65.90289	0.4
66.96461	0.4
71.01375	1.8
71.61485	0.6
72.99346	0.5
73.02953	1.5
75.74942	0.3
83.01368	0.8
85.02958	1.2
87.00898	0.5
89.02451	0.7
93.03519	0.5
95.05034	2.9
96.04562	0.4
96.96020	1.1
97.02966	0.4
99.00936	0.5
101.02447	1.6
107.05046	1.2
120.04523	0.4
120.99680	0.5
123.04505	0.6
125.29576	0.4
127.00427	0.4
159.11806	2.1
161.06085	1.1
162.06892	3.1
170.07410	0.4
173.83447	0.4
175.07707	0.9
181.51563	0.5
185.09496	0.9
189.00363	0.7
191.05620	0.8
201.05595	0.5
203.07216	3.2
203.10779	11.0
204.10960	0.6
205.04976	1.1
206.05913	1.8
211.07620	1.4
217.05048	1.7
229.08705	1.0
232.07478	0.6
238.04874	3.6
247.09749	100.0
248.10065	8.5
265.07178	0.7
273.07590	0.6
289.10883	0.8
291.08740	43.6
292.09131	3.8
305.24347	0.4
495.14307	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1983
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	1.2
61.98831	100.0
68.60717	0.3
69.73273	0.6
69.73692	1.4
70.20047	0.3
71.01385	0.6
72.99315	0.4
73.02917	0.3
78.95933	0.7
87.00925	0.3
88.98845	0.3
91.00301	0.3
96.96032	0.7
98.20633	0.6
103.91993	0.4
104.87888	0.3
106.05642	0.3
127.00377	0.3
128.03557	0.3
140.23225	0.3
144.04593	0.6
182.01949	0.3
189.00423	0.6
212.88933	0.3
217.06725	0.3
254.53464	0.3
268.98593	0.3
311.93173	0.3
495.11484	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2288
Annotation	Rhodioloside B
Peak:m/z	Relative Intensity
50.89468	0.6
55.01889	1.0
57.03448	57.5
58.00587	1.6
58.03774	0.9
59.01378	100.0
60.01708	0.7
61.40229	0.7
61.98831	14.4
69.03468	1.7
69.44955	1.5
69.45366	5.5
71.01382	45.6
72.99321	2.4
73.02951	48.7
74.02509	0.7
74.03310	0.7
74.99099	1.1
75.00887	2.0
79.05556	2.0
81.03455	6.5
83.01388	14.6
83.05025	1.0
84.02193	0.8
85.02954	14.1
86.03342	0.6
87.00887	3.8
88.98804	1.4
89.02450	16.6
93.03501	1.0
95.01419	2.5
96.00954	1.0
96.96030	3.3
97.02969	2.3
97.06612	1.7
99.00918	1.4
99.04528	61.1
100.04885	1.8
101.02454	62.2
102.02793	1.4
105.01916	0.7
109.03029	0.8
109.06625	1.3
113.02463	22.1
113.06107	2.9
116.92879	1.4
119.03504	9.3
120.99671	3.7
123.04535	16.8
123.05399	1.2
124.01672	1.3
125.02463	29.8
126.02826	1.3
127.00402	1.9
128.03572	1.5
131.03525	4.7
133.02994	1.0
134.03728	0.6
135.04543	2.8
136.04887	0.8
136.99132	0.7
137.09746	0.7
139.11327	1.5
141.05605	2.3
143.03510	7.9
146.49234	0.6
149.04581	7.1
149.05824	0.9
149.09737	1.3
149.99615	2.3
151.00383	0.9
153.05603	2.6
155.03557	1.2
155.10799	2.9
161.02464	1.6
161.04576	21.4
162.04918	0.7
167.10861	3.5
168.00642	4.5
177.01990	0.7
179.05644	8.2
183.10233	0.7
189.00439	2.2
189.07707	0.7
191.05605	0.8
191.14400	1.3
193.12323	3.5
197.11787	0.7
199.09802	2.5
203.05658	2.2
221.06602	4.0
227.16466	0.6
229.42783	0.7
235.13397	1.1
236.53676	0.6
261.37723	0.7
263.07584	1.6
299.02121	1.0
323.09970	3.4
331.06778	5.4
331.10626	1.3
331.17661	1.0
345.85312	0.6
356.28619	0.6
361.16272	1.1
379.16324	0.6
389.21722	0.9
407.10043	1.4
414.16785	1.2
433.20563	0.8
449.11160	1.1
457.20505	0.9
475.21777	4.2
493.09958	8.9
493.22900	86.1
494.10345	1.4
494.23181	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	493.2443
Annotation	Ephemeroside
Peak:m/z	Relative Intensity
55.29384	0.8
57.03458	0.8
58.00593	0.8
59.01379	24.3
61.98827	4.4
66.81183	0.7
69.71565	1.5
69.71973	3.7
71.01387	15.4
72.99330	1.2
78.95928	1.1
85.02963	3.3
87.00869	0.9
89.02456	21.0
95.01408	1.1
96.96026	1.1
97.13036	0.8
101.02452	11.6
113.02473	7.4
119.03528	9.3
143.03537	1.9
161.04631	1.5
171.10326	1.0
179.05630	7.9
179.07053	1.1
196.05524	0.9
201.12971	1.7
247.35417	0.6
256.77255	0.8
269.19092	4.8
287.20209	6.4
288.20532	1.1
293.55341	0.9
313.18121	13.5
313.21524	1.2
314.18365	2.2
330.39362	0.8
331.19153	100.0
332.19482	10.9
345.20859	1.1
373.20209	6.0
469.05768	0.9
493.24387	62.9
494.24908	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	494.188
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31015	0.8
57.03435	3.7
59.01378	28.7
60.78774	0.8
61.98829	58.0
65.28468	0.8
71.01384	5.3
71.66686	1.8
73.02948	3.2
78.95923	1.1
83.01393	3.3
83.05000	0.8
85.02942	2.0
86.69939	1.2
87.00871	7.9
89.02452	1.6
90.72820	0.9
96.96045	4.7
99.00880	3.4
99.04483	2.5
101.02453	2.8
117.01977	1.6
119.03568	1.0
120.99670	2.0
121.03004	1.1
125.02453	1.0
127.00362	5.7
161.04587	5.2
165.12836	3.3
179.05606	13.8
183.10228	2.3
189.00372	4.2
189.12819	1.7
191.05644	1.2
207.01572	1.0
207.13901	15.7
209.11835	11.4
225.15062	1.2
251.12840	6.2
269.13904	17.0
270.14169	2.0
277.73990	0.9
289.11859	1.4
297.35510	1.0
299.01855	1.5
352.67957	0.9
397.16632	1.0
409.11798	1.2
431.19202	100.0
432.19537	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	494.2157
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51587	0.7
61.98827	9.1
78.95908	45.3
86.35041	0.7
96.96965	5.8
98.20644	2.2
150.97978	1.7
152.99602	100.0
153.99956	1.9
171.00708	3.7
174.90074	0.7
229.36569	1.0
229.38618	1.0
301.62051	0.8
431.22061	31.9
432.22339	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	493.1749
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.2
56.98034	3.0
57.03449	0.4
58.99603	6.4
59.01380	6.8
61.98831	10.4
64.65255	0.2
70.52390	0.2
70.99883	0.5
71.01386	3.3
72.99323	0.2
73.01173	2.5
73.02952	1.1
74.99102	6.3
78.02342	0.2
78.95873	0.2
79.93925	0.2
83.01411	0.4
85.02954	1.4
87.00884	8.4
88.01170	0.2
89.02449	1.4
91.92959	0.2
95.01396	0.3
96.15141	0.2
96.96022	0.8
98.95608	0.3
99.00903	0.7
99.04519	0.3
100.97047	1.3
101.00670	0.4
101.02455	2.5
102.05618	1.1
102.98608	29.4
103.05962	0.2
103.98951	0.4
113.02458	1.7
115.00408	0.4
118.98114	0.4
119.03542	0.6
120.99697	1.2
125.02482	0.2
127.00430	0.2
127.95412	0.2
128.03563	1.9
129.03856	1.0
130.08788	0.3
131.03505	0.2
131.27629	0.2
143.03545	0.2
143.09042	1.1
146.04617	2.5
147.04945	0.5
152.45526	0.2
156.78154	0.2
157.03337	0.2
161.04579	0.7
163.11284	0.5
179.05603	0.4
195.10269	0.3
196.10632	0.3
197.10048	4.8
198.10320	0.2
209.11797	0.6
211.13408	2.6
212.13759	0.4
237.04372	3.8
238.04823	0.2
243.10588	100.0
244.10907	7.3
249.06152	13.5
250.06422	0.8
287.09293	0.2
305.14886	0.2
313.07501	0.3
313.11136	5.2
314.11450	0.6
315.17108	0.2
320.19623	0.3
331.08163	0.3
331.12143	0.2
331.24902	0.4
413.18265	0.4
413.23447	0.2
431.09650	0.5
431.19293	0.7
435.77661	0.2
455.15479	0.4
481.99377	0.2
493.17245	20.8
493.22696	1.7
493.29819	0.9
494.17569	3.2
494.23007	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1842
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90331	0.4
55.01883	0.5
57.03443	0.9
59.01378	100.0
60.01705	1.5
61.66991	0.4
61.98835	2.3
68.56368	0.4
71.01382	11.5
71.54469	0.4
72.01735	0.5
73.02949	3.9
77.10564	0.4
83.01381	2.1
83.12533	0.4
85.02955	5.2
87.00893	0.8
89.02441	2.8
95.01423	0.9
96.96034	1.5
98.19847	0.8
99.00900	2.1
101.02457	8.4
101.84682	0.4
113.02466	4.9
118.98197	0.4
119.03548	0.8
120.99681	3.1
127.00429	0.6
159.03026	0.5
161.04558	4.1
193.22322	0.4
197.11838	1.0
209.15514	2.2
229.48749	0.4
253.09160	0.6
265.42728	0.4
308.93649	0.5
308.97409	0.4
315.20239	0.4
353.19641	5.6
354.20157	1.2
371.20724	12.3
372.17004	0.4
372.20972	2.3
402.16125	0.6
411.16931	0.4
413.21793	20.9
414.22202	2.8
451.22208	0.8
451.35574	0.5
492.31955	0.9
493.17511	1.2
493.31662	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
55.87656	0.5
57.03458	0.6
59.01379	100.0
60.01713	1.5
61.98831	12.1
62.60443	0.5
69.68870	0.4
71.01381	4.1
71.68625	0.7
73.02956	1.3
75.00886	0.5
85.02963	2.0
87.00880	0.5
88.98807	1.3
89.02459	0.9
95.05037	3.4
96.95992	0.9
97.06585	2.2
99.00900	0.8
101.02453	2.5
113.02458	1.2
116.92875	0.9
127.00410	0.8
149.04518	0.4
159.03064	0.7
161.04581	5.1
162.09241	1.2
164.10818	69.5
165.11198	4.6
166.43288	0.5
167.03447	0.6
168.03856	0.5
174.17047	0.5
174.33278	0.5
189.00496	0.5
191.05547	0.5
238.80511	0.5
248.12914	1.4
260.10757	0.4
270.14975	55.1
271.15250	5.6
309.04791	0.5
432.20255	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	492.273
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	1.1
61.98836	6.5
78.95908	100.0
96.96988	8.8
104.26044	0.7
111.10606	0.9
152.99608	18.5
171.00653	22.8
216.83513	0.7
334.27023	0.6
407.37823	0.7
418.23560	2.1
492.27322	71.1
493.27570	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	493.0621
Annotation	Gossypetin 8-glucuronide
Peak:m/z	Relative Intensity
57.03450	4.0
59.01102	0.9
59.01377	11.3
61.01784	0.7
61.98817	2.5
63.02407	2.8
65.00326	6.8
67.01869	0.5
67.54098	0.6
71.01392	3.9
71.57214	0.6
72.99303	1.9
73.02937	1.4
75.00886	0.9
81.03458	0.8
81.36162	0.6
83.01394	4.7
85.02962	4.3
87.00873	1.3
89.02448	1.8
91.46739	0.6
93.03440	1.8
95.01345	1.4
96.95980	1.6
98.57242	0.6
99.00854	1.1
99.04523	1.4
101.02452	1.8
101.03975	0.7
103.00360	0.9
103.28925	0.5
107.01393	11.6
109.02955	9.3
111.00894	1.3
113.02464	6.4
114.60947	0.5
116.92870	0.9
117.03481	0.9
120.99679	6.7
121.02967	1.3
123.00924	1.3
125.02464	12.1
131.03546	0.7
137.02454	8.4
139.00391	1.8
143.05017	1.4
145.02962	1.8
147.00940	1.0
147.04579	0.8
149.02466	1.2
151.00386	42.4
152.00966	1.2
153.01942	0.9
153.07689	0.5
155.05017	1.3
157.02927	1.7
159.04559	1.6
161.02426	1.8
161.04616	0.7
163.00377	7.3
164.01161	6.6
165.01936	5.8
166.99869	1.3
169.01503	3.5
169.02791	1.0
171.04543	3.3
173.06107	0.6
175.03975	1.5
178.99870	20.8
180.00261	0.8
182.03741	0.8
183.04518	2.9
185.02443	1.3
187.03972	2.0
189.00369	1.2
189.01895	1.0
190.99809	5.1
191.05554	1.3
192.00603	1.1
193.01410	2.5
193.03517	2.3
199.04013	9.3
201.01939	1.7
201.05515	1.4
203.03453	1.9
205.01234	0.7
211.04062	0.7
215.03529	3.6
217.05084	4.7
227.03493	9.0
228.03914	1.1
231.03072	0.9
231.88661	0.6
243.02974	12.7
244.03459	0.8
245.04550	5.2
247.06055	0.9
249.03990	0.8
255.02956	10.6
256.03229	1.0
261.04068	0.7
264.42523	0.6
271.02475	24.6
272.02817	2.4
273.04001	18.7
274.04352	1.1
283.73007	0.6
289.92972	0.9
299.01965	74.5
300.02332	6.3
301.03653	0.8
316.02194	0.7
317.03030	100.0
318.03412	7.7
407.10458	0.6
493.06137	8.4
493.16458	0.9
493.23010	3.8
494.06635	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2497
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03466	0.9
59.01379	100.0
60.01717	1.6
61.98837	4.0
69.41515	5.3
71.01389	2.9
73.02958	1.6
79.05656	0.5
83.01413	1.2
83.79502	0.5
84.57602	0.6
85.02968	1.3
86.63356	0.5
87.31442	0.5
89.02466	1.3
96.96055	2.2
98.20685	1.0
99.00939	1.0
101.02483	1.5
107.70928	0.6
112.68132	0.6
113.02467	1.0
116.92901	1.2
118.98087	1.0
119.05015	0.6
127.00398	1.1
128.03488	0.6
142.61136	0.5
161.04588	0.6
163.04037	0.6
183.10332	0.6
189.00444	1.5
191.05598	0.6
203.03615	0.7
211.13509	0.9
329.23248	2.8
359.42477	0.5
491.28580	7.3
492.28854	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2859
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19367	0.1
55.01880	0.7
55.13398	0.1
57.03447	1.2
58.00604	0.7
59.01378	21.5
60.01727	0.3
61.98825	0.9
69.03454	1.0
69.40714	1.5
69.41122	0.2
69.88181	0.1
71.01384	10.8
71.21994	0.1
72.99322	1.3
73.02948	3.2
75.00880	0.3
81.03473	0.2
83.01389	2.2
85.02956	4.8
86.00114	0.4
87.00884	2.5
88.98828	0.4
89.02451	1.1
95.01390	1.0
96.96023	0.2
97.02986	1.0
99.00898	1.2
99.08185	0.7
101.02454	5.6
111.00911	0.7
112.01682	0.5
113.02464	3.1
119.03551	0.2
121.02940	1.0
123.00905	0.1
124.01667	1.0
125.02449	1.5
127.00415	0.2
129.09225	0.6
141.01978	0.2
141.12863	0.6
143.03516	0.6
155.14436	0.3
161.04536	0.3
171.10350	0.4
174.89127	0.1
189.00323	0.3
199.13449	0.3
205.49640	0.1
211.13437	0.4
229.14590	0.3
241.21692	0.4
251.20067	0.3
269.21210	2.0
270.21591	0.2
271.22681	0.4
283.22949	0.2
285.20651	0.6
287.22269	26.5
288.22623	2.8
299.22275	0.7
301.23877	0.9
322.55103	0.2
329.23328	2.9
330.23773	0.4
371.24466	0.3
413.25333	0.5
431.26495	15.3
432.26733	2.3
447.22400	0.6
449.27542	36.0
450.27850	5.1
473.27576	0.5
491.28571	100.0
492.28906	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	491.2862
Annotation	Bu 2867TF
Peak:m/z	Relative Intensity
55.01873	0.7
55.58827	0.2
56.82013	0.2
57.03452	0.7
58.00602	1.1
59.01379	27.0
60.01718	0.3
61.98841	0.6
70.87052	0.4
70.87447	0.5
71.01386	13.6
71.05055	0.2
72.99304	1.6
73.02955	1.3
75.00879	0.2
78.67093	0.2
83.01401	1.5
85.02956	3.9
87.00901	0.9
89.02453	8.7
95.01398	1.1
96.96027	1.2
97.06581	0.2
98.48973	0.2
99.00908	0.8
99.08186	0.8
101.02457	8.2
102.53204	0.2
104.56008	0.2
110.37919	0.2
113.02467	4.7
113.09743	0.3
118.68846	0.2
119.03524	2.2
120.03906	0.2
120.99660	0.5
125.09717	0.5
127.00386	0.2
127.11313	0.3
139.11339	0.5
141.34866	0.2
155.14583	0.2
163.11316	0.4
167.14488	0.3
171.10333	1.0
181.12341	0.3
182.13129	0.2
183.13914	1.0
189.00513	0.2
191.05646	0.5
193.12395	0.6
209.11826	0.5
211.13419	4.9
212.13889	0.4
229.14436	3.3
230.14792	0.2
241.00272	0.2
249.22261	0.9
293.21204	9.5
294.21503	0.8
311.22211	3.9
312.22656	0.5
329.23328	9.3
330.23660	1.0
336.98248	0.2
473.27469	0.5
474.27084	0.2
491.28586	100.0
492.28925	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	492.1355
Annotation	Unknow
Peak:m/z	Relative Intensity
56.17426	0.2
59.01381	1.8
61.98831	100.0
66.91459	0.2
71.01390	0.5
71.68735	0.2
71.69114	0.2
72.99310	0.2
73.02951	0.3
75.81569	0.2
78.95889	0.3
85.02946	0.2
88.98804	1.0
89.02467	0.4
96.66312	0.2
96.96027	0.4
98.02505	0.2
99.92622	0.3
116.92893	0.6
123.04573	0.2
128.03596	0.6
135.04590	0.3
137.03426	0.2
156.89476	0.2
164.10837	0.6
179.03499	0.3
184.25960	0.2
191.05605	1.1
207.06750	0.5
220.19545	0.2
223.85162	0.2
267.08820	0.8
268.09082	0.6
269.09396	0.6
270.09650	0.5
270.15091	0.5
290.73611	0.2
306.07703	0.2
492.13745	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.1724
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29522	0.2
52.40814	0.2
57.03453	1.3
59.01377	6.8
60.01728	0.2
61.98830	100.0
62.98531	0.2
64.12318	0.2
69.89212	0.5
69.89631	1.0
71.01385	1.7
73.02953	1.5
74.99082	0.4
75.00874	0.3
83.01410	1.0
83.80657	0.2
85.02959	0.5
87.00896	0.3
89.02469	1.0
92.99655	0.2
96.96033	1.0
97.06594	0.3
99.00855	0.6
99.04543	1.0
99.92613	0.3
101.02454	1.7
113.02491	0.7
116.92886	0.7
118.98074	0.3
119.03528	0.5
119.05072	0.3
120.99684	0.7
121.02985	0.2
123.04547	0.4
125.02454	0.4
127.00398	1.2
128.03577	0.8
135.04556	0.4
143.03540	0.3
161.04608	0.8
161.09709	0.3
187.11234	0.5
189.00412	1.8
189.09267	0.3
191.05678	0.4
205.12323	0.3
207.10245	0.4
223.13400	2.6
249.11394	0.4
267.12350	5.5
268.12784	0.6
288.15347	0.3
294.10776	0.3
295.11957	0.4
323.10016	0.2
429.17752	2.2
430.18100	0.4
433.24533	0.6
492.24734	0.3
492.31793	0.7
493.10580	0.3
493.22510	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2497
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	0.6
57.03449	1.2
58.00597	0.6
59.01378	100.0
60.01711	1.2
60.03867	0.3
61.26732	0.3
61.98828	2.7
64.84777	0.4
69.03468	1.0
69.52443	3.3
71.01384	15.2
72.99310	0.8
73.02952	19.0
75.00877	0.5
76.75901	0.4
79.54749	0.3
79.95751	1.3
83.01394	6.7
85.02969	3.7
87.00895	1.4
89.02454	5.0
95.01378	0.7
96.96018	16.8
97.02969	0.4
99.00900	3.2
99.88731	0.4
101.02452	19.2
102.02826	0.6
109.06664	0.6
111.08202	0.7
113.02469	8.2
114.02770	0.4
116.92898	0.5
118.98146	1.3
119.03500	3.2
125.02503	1.4
126.90585	0.5
127.00388	4.4
128.03592	0.6
131.03537	1.5
135.04550	1.2
142.99922	0.4
143.03526	2.7
143.04570	0.7
146.75368	0.4
149.04599	3.4
153.09241	5.2
155.03627	0.5
155.97905	0.4
161.04578	6.6
182.52983	0.4
189.00423	3.6
191.05673	2.3
203.05635	1.0
209.15475	5.5
213.10500	0.4
221.06750	2.4
224.17815	0.4
227.16586	0.7
232.13608	0.4
269.17639	0.5
285.12628	0.9
287.22141	0.5
356.14114	1.2
370.16064	0.5
371.16324	0.8
371.20673	6.4
372.21155	0.9
384.17468	0.7
385.17590	0.6
386.18997	0.8
389.21765	2.6
405.21625	0.5
431.22336	12.1
431.27994	0.8
432.23489	1.6
435.68228	0.4
447.22549	0.9
449.14774	5.3
449.27792	1.7
450.15372	0.7
475.21664	0.5
491.16028	10.6
491.28613	6.4
492.16541	1.7
492.32272	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3065
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	0.2
56.59600	0.1
57.03432	0.1
58.00582	0.2
59.01375	3.9
61.98829	1.1
63.83828	0.1
71.01383	3.4
71.72825	0.2
72.99303	0.2
73.02959	0.6
75.00879	0.1
78.95900	0.3
81.03453	0.1
83.01389	0.4
83.05019	0.1
85.02966	0.7
87.00906	0.5
89.02450	2.9
91.04052	0.2
95.01394	0.3
97.02940	0.2
97.06584	0.2
99.00888	0.2
101.02451	3.3
109.65047	0.1
113.02461	1.3
115.03961	0.1
119.03503	0.8
125.02484	0.1
131.03529	0.1
133.05060	0.3
135.03033	0.1
135.82285	0.1
141.89377	0.1
143.03525	0.2
152.99615	0.2
161.04573	1.1
179.05598	0.4
235.08255	1.2
235.20729	0.3
253.09299	12.1
253.21704	100.0
254.09633	0.5
254.22046	10.2
279.23315	0.2
295.22922	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.1569
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	23.4
59.01378	47.1
60.01706	1.9
60.61497	0.4
61.98829	100.0
69.03463	1.8
70.89387	0.6
70.89702	0.7
71.01383	7.2
71.05036	0.4
72.99311	0.5
73.02958	6.1
75.00869	0.6
81.03459	0.9
83.01391	2.2
84.36727	0.4
85.02965	1.8
87.00893	1.2
89.02449	5.8
96.96017	8.7
97.06590	0.5
99.00914	1.4
99.04527	25.5
99.92617	0.6
100.04850	0.6
101.02453	14.4
113.02464	4.6
115.91969	0.4
116.92892	1.4
117.92908	0.6
118.98119	3.5
119.03517	2.6
123.04529	2.8
125.02466	8.2
125.03338	0.6
126.02800	0.6
127.00410	1.5
131.03546	0.7
131.90225	0.5
141.05638	0.9
143.03548	1.8
149.04570	1.7
151.11304	1.4
153.05614	0.8
161.04584	4.0
167.05072	1.3
175.02463	0.5
175.07674	0.6
177.09233	4.0
179.05661	1.7
189.00505	1.3
191.05711	0.4
195.10278	14.2
203.05592	0.6
209.97491	0.4
221.06717	2.0
249.14952	0.5
253.09200	3.5
268.16367	0.7
283.05075	0.6
286.16733	0.5
325.12933	1.2
329.10715	0.7
345.15027	0.5
346.16187	0.7
347.11386	0.5
388.16559	0.5
427.16125	11.5
428.16470	1.6
431.19250	1.2
455.15601	5.4
491.15854	2.6
491.22601	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.2592
Annotation	Zygosporin E
Peak:m/z	Relative Intensity
51.04359	0.4
58.02974	15.1
59.01377	0.9
61.98827	3.2
66.03484	2.3
70.02970	0.6
71.01392	1.0
71.68050	0.7
72.00903	1.2
73.02936	0.5
74.02477	29.3
80.03788	0.6
81.04599	2.2
82.02994	3.6
82.06648	0.6
84.04549	1.3
85.04092	0.7
86.02480	12.4
86.06121	2.3
87.05641	6.6
88.04044	0.9
93.04592	0.8
95.02535	0.8
96.04552	1.2
97.04070	3.7
98.02471	0.9
99.05650	29.4
100.04066	0.8
100.05966	0.6
101.07226	5.6
102.05622	5.4
107.06155	1.7
109.04088	5.9
109.07712	1.9
110.02490	0.7
111.05656	2.6
112.04084	3.5
113.03594	0.9
113.07240	0.5
116.01801	0.6
121.04078	0.7
123.05650	3.3
124.04082	1.3
124.07717	0.8
125.03574	5.6
126.02000	0.5
126.04387	1.0
126.05518	0.4
127.05158	5.2
128.03552	76.8
129.03894	1.9
135.05652	9.7
136.06033	0.6
137.07195	1.9
138.05666	0.6
139.01523	0.6
139.05109	0.9
141.06723	5.0
143.04637	100.0
144.05002	2.8
145.06207	4.9
146.04602	10.3
149.07199	1.1
152.47679	0.4
153.06718	7.0
155.04659	1.0
155.08250	1.3
158.03334	0.6
166.09871	4.3
167.04623	4.9
167.08287	7.9
170.03336	2.9
171.04135	2.8
171.12170	1.4
177.51535	0.4
179.04639	26.2
180.04921	1.5
181.06242	3.4
184.10921	0.7
185.05676	3.4
192.07845	3.5
193.06195	0.8
197.05676	4.1
210.08853	21.8
211.09195	0.8
217.16318	12.7
218.16656	1.0
228.09898	2.1
236.06635	0.5
254.07817	54.4
255.08031	3.1
262.14044	0.4
272.08856	66.0
273.09229	4.7
304.19492	0.8
308.07419	1.9
361.21573	7.8
362.22150	1.1
373.08066	0.5
425.90305	0.4
472.24805	13.7
473.25128	1.6
490.25897	98.7
491.26199	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	490.2591
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00513	0.5
58.02974	13.5
59.01372	0.8
61.98830	2.1
66.03478	2.0
68.05055	0.6
69.82404	3.3
70.02977	0.8
71.01366	1.1
72.00898	1.6
72.06744	0.4
74.02476	30.2
76.67721	0.4
80.03789	0.6
81.04580	2.3
82.02995	4.0
84.04565	2.2
85.02956	0.5
85.04107	0.9
86.02483	13.0
86.06113	2.3
87.00842	0.8
87.05647	5.3
88.04063	1.0
93.03432	0.9
93.04566	0.6
95.02528	0.7
96.04552	1.0
97.04065	2.6
98.02529	0.5
98.19964	0.6
99.05650	26.1
101.07203	5.3
102.05627	5.0
102.25764	0.5
107.06156	2.0
109.04102	5.6
109.07723	1.8
110.02516	0.8
111.05659	2.6
112.04051	3.4
113.03577	0.7
123.05650	2.8
124.04060	2.1
124.07642	1.0
125.03593	4.6
126.02003	0.6
126.04373	1.4
127.05175	5.4
128.03554	71.7
129.03909	2.4
135.05666	9.0
137.07193	1.5
138.05640	0.5
139.01518	0.5
139.05138	0.8
141.06721	3.9
143.04637	97.2
144.05029	3.0
145.06201	4.0
146.04605	10.5
149.07230	0.8
149.99033	0.4
153.06721	6.7
155.08276	1.5
166.09843	4.0
167.04659	4.0
167.08289	7.1
170.03316	2.9
171.04144	2.5
171.12173	1.4
179.04631	25.1
180.04991	1.3
181.06239	3.2
184.10925	1.2
185.05627	2.9
191.05630	6.4
192.05978	2.6
192.07799	3.1
193.06178	1.3
197.05675	4.7
204.26369	0.5
210.08842	22.9
211.09166	0.6
217.16309	10.0
228.09906	1.7
236.06749	0.6
254.07803	52.6
255.08061	3.5
272.08859	64.1
273.09119	4.1
304.19516	0.7
315.15836	0.5
316.16168	0.7
361.21704	6.1
381.68985	0.5
469.38000	0.6
472.24857	12.0
473.25311	2.0
490.25937	100.0
491.26193	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	489.234
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	0.8
59.01376	100.0
60.01712	1.3
61.98830	15.8
69.03458	0.3
69.66016	1.0
69.66449	0.8
71.01382	6.5
72.99326	0.5
73.02950	7.4
75.00874	0.2
78.95911	0.5
81.03451	0.3
83.01385	2.7
85.02947	1.3
87.00903	0.6
88.98820	0.4
89.02448	2.4
96.57104	0.2
96.96015	1.6
96.97009	0.4
97.32495	0.2
98.20630	0.5
99.00902	0.5
101.02447	10.4
102.02844	0.3
113.02475	3.7
113.03618	0.3
115.00385	0.3
118.98138	0.4
119.03517	1.7
121.02962	0.3
125.02480	0.7
127.00473	0.4
128.03658	0.2
131.03505	1.3
142.65881	0.3
143.03523	1.6
149.04572	2.9
150.06844	0.3
152.99602	0.4
155.03561	0.3
161.04567	4.9
164.04846	0.9
178.06442	0.2
179.07114	1.7
183.10416	0.2
189.00572	0.4
191.05667	0.7
193.08777	0.8
194.09169	0.5
203.05716	0.7
209.11864	0.6
210.12212	0.3
211.12509	0.5
217.31602	0.3
221.06622	1.7
223.04335	2.8
224.04982	0.3
267.16049	0.4
299.42227	0.2
303.28076	0.2
303.38678	0.2
369.19333	0.7
386.10477	0.4
387.20255	0.3
401.12659	1.7
429.21344	1.8
445.20786	0.3
457.17661	0.3
489.19568	1.9
489.25040	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.234
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49352	0.4
57.03433	1.7
58.99591	0.8
59.01381	100.0
60.01709	1.0
61.98830	4.7
65.25731	0.5
71.01385	10.1
71.72290	0.5
72.99307	1.0
73.02946	3.9
75.00882	2.3
83.01387	2.2
85.02963	4.9
87.00874	2.0
89.02463	4.4
95.01384	1.4
96.96017	3.5
97.02953	0.7
99.00870	1.7
101.02457	6.1
102.98609	5.3
113.02459	5.6
115.00394	0.8
115.05535	1.0
116.92868	0.5
118.98118	0.6
119.03505	1.6
127.00418	2.1
128.03529	0.4
143.03494	0.6
161.04668	2.3
161.05748	0.4
165.07417	1.0
171.10194	0.7
179.05574	1.2
187.07619	1.4
189.00371	1.8
203.07132	0.8
207.13870	1.4
211.13359	0.7
213.10518	0.5
225.14931	5.3
226.15312	0.5
239.07478	2.9
241.14348	0.9
283.04871	7.4
285.12442	0.5
299.00754	0.6
313.18854	0.5
327.12704	0.6
327.21725	4.3
328.22015	0.5
342.99625	1.4
361.85388	0.5
369.19177	24.1
370.19461	3.0
387.20251	12.8
388.20654	1.3
429.21240	11.9
430.21481	1.4
445.20612	1.9
472.76740	0.5
489.27188	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2704
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00586	3.4
58.97222	1.4
59.01380	65.1
60.25242	1.6
61.98840	14.7
64.11457	1.5
69.03448	1.6
71.01385	67.6
71.29948	2.0
71.71495	2.6
72.99323	5.5
78.95907	4.8
81.12115	1.6
85.02966	4.7
87.00891	2.8
89.02451	69.2
90.02821	2.1
97.02967	5.8
97.33177	2.0
101.02460	21.9
113.02448	15.2
115.45292	1.5
116.92886	3.2
117.83130	1.7
119.03519	9.0
131.03537	2.5
143.03531	6.9
144.40086	1.7
149.04578	2.9
152.99594	4.9
161.04562	5.7
165.12859	4.1
171.00525	1.9
171.10214	2.9
179.05624	23.3
227.12903	3.1
247.20636	2.0
291.19653	22.0
309.20712	60.4
310.21048	5.0
488.34671	7.5
489.34988	100.0
490.35175	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	489.2704
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.7
57.03443	2.0
58.00589	1.2
59.01378	22.9
61.63639	0.4
61.98830	6.7
63.54354	0.4
68.99753	0.3
69.03442	0.9
69.46058	0.3
69.78734	1.8
69.79152	0.8
71.01382	16.6
71.05022	0.5
72.99322	1.6
73.02950	8.5
75.00873	0.4
81.03448	0.5
83.01398	4.6
83.05045	0.8
85.02960	6.1
87.00884	1.3
89.02451	8.1
95.01408	1.3
96.96029	2.0
97.02952	1.5
97.06609	1.5
98.19971	0.7
99.00877	4.2
99.04533	1.7
101.02451	8.2
113.02455	4.9
115.03986	0.5
118.98087	0.5
119.03529	2.1
120.99688	0.5
121.02950	1.2
121.10215	0.9
125.02458	0.4
125.09717	1.0
127.00383	7.5
127.11311	1.7
131.03606	0.6
135.04501	0.5
137.09689	0.4
142.99867	0.6
143.03586	0.5
149.04588	0.8
155.10809	3.9
161.04541	2.6
163.11307	0.6
163.27579	0.4
165.02065	0.4
165.12862	1.5
167.10825	0.5
171.10271	10.5
172.10556	0.6
177.12900	0.4
179.10863	1.0
181.12259	0.7
183.13875	1.3
185.11835	1.1
188.98750	0.4
189.00401	8.2
191.05585	1.1
197.11823	1.3
199.13333	0.6
199.86562	0.4
209.11845	1.8
211.13383	7.6
211.15421	0.5
215.86086	0.4
221.11836	1.0
227.12923	0.7
229.14432	19.9
230.14845	1.0
235.13332	0.5
236.74104	0.4
239.12828	0.5
247.20663	0.8
253.14551	0.4
257.13922	0.7
273.18503	0.5
291.19635	6.2
292.19971	0.9
294.57928	0.4
309.20676	5.0
310.21118	0.5
311.22205	1.1
327.21777	12.2
328.22067	1.5
369.22818	0.7
389.36139	0.4
390.56851	0.4
391.19687	2.2
429.25284	0.6
432.32809	0.4
471.26071	0.5
489.26999	100.0
490.27258	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	489.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20387	0.5
54.56054	0.6
57.03431	1.8
59.01379	41.9
61.98581	0.5
61.98834	5.8
67.55779	0.6
69.03461	0.9
69.28435	7.4
71.01389	11.4
71.04996	0.8
71.58171	0.6
73.02951	10.2
74.99091	0.8
75.00891	1.5
80.02683	1.4
83.01409	3.8
85.02956	2.6
87.00882	1.8
89.02446	3.5
89.41572	0.7
91.17593	0.7
92.27180	0.5
94.68653	0.6
95.01389	0.7
96.96009	5.6
98.03742	11.0
99.00913	1.7
99.04539	1.7
101.02461	7.5
109.52383	0.5
112.26443	0.6
113.02449	3.6
118.98116	0.7
119.03498	1.0
123.08162	2.7
125.02460	0.7
125.09715	2.0
127.00353	3.0
134.91656	1.1
141.09244	1.9
143.04611	0.9
161.04614	1.0
163.11278	2.3
179.05626	1.1
179.14423	2.9
189.00352	1.9
191.05550	1.0
205.12402	1.1
207.13829	1.2
223.11375	1.2
223.13412	14.4
224.13815	1.1
225.14952	5.3
241.14456	64.6
242.14828	4.9
243.16010	1.2
264.74789	0.6
267.16037	4.3
283.04999	1.7
285.12540	0.9
306.07736	1.7
327.21689	2.6
341.10931	0.7
342.99677	0.9
360.41751	0.6
361.67865	0.7
369.19159	2.1
385.18378	1.0
387.20157	0.7
403.19727	10.4
429.20917	1.4
445.20779	100.0
446.21091	13.7
489.12064	0.8
489.26685	2.8
511.79037	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2343
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	1.2
59.01378	100.0
60.01703	1.0
61.98835	6.3
69.03462	0.5
69.69299	3.3
71.01381	7.3
72.99332	0.6
73.02949	2.9
74.55246	0.4
75.00891	0.9
76.88491	0.4
83.01388	1.6
85.02956	3.2
86.63667	0.4
87.00902	1.0
89.02452	2.8
93.03501	0.6
95.01460	0.5
96.96028	2.9
97.02974	0.7
99.00903	1.8
99.92593	0.6
101.02457	4.8
113.02453	2.7
113.03586	0.5
114.05609	0.6
115.92107	0.4
116.92881	3.3
118.94195	0.4
119.03498	1.0
125.02489	0.9
127.00376	2.0
128.03558	0.4
129.01984	1.4
130.08754	0.9
131.04642	0.6
133.02997	1.0
137.02493	0.8
141.01924	0.8
148.01662	0.5
159.03036	1.0
161.02455	1.0
161.04572	1.1
162.44702	0.5
163.11371	0.6
177.01996	1.2
179.05682	0.7
189.00502	1.8
189.05670	0.4
191.05627	3.4
201.04083	1.9
204.54086	0.5
219.05113	0.6
225.15021	1.5
227.03723	0.6
267.12335	1.0
267.16135	0.6
284.03238	5.8
285.03958	6.6
286.04309	0.6
291.12228	1.0
297.04147	1.0
298.14096	0.5
327.21652	0.5
369.19171	8.4
370.19431	1.1
387.20224	5.5
388.20639	1.0
422.88678	0.5
429.21356	5.1
430.21951	0.8
431.19168	0.6
454.19470	0.7
471.19611	0.6
489.10217	7.2
489.20657	1.2
490.10321	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.234
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	0.4
59.01377	100.0
60.01715	0.8
61.98821	0.8
69.40249	0.6
69.40654	1.2
71.01379	1.8
73.02950	1.1
75.61135	0.2
78.48734	0.2
79.95743	1.4
80.77927	0.2
80.96532	0.7
83.01401	0.5
85.02980	0.6
87.00896	0.3
89.02470	0.6
94.25144	0.2
96.96021	38.5
97.59354	0.2
97.95956	0.3
99.00890	0.4
101.02468	1.0
108.49822	0.2
110.97562	0.3
113.02476	0.6
119.03482	0.3
127.00429	0.5
128.03432	0.2
161.04541	0.5
173.06123	0.3
189.00438	0.4
191.05588	0.4
203.07181	0.4
207.01567	0.3
225.00929	0.2
241.00230	2.0
241.10793	0.3
251.07191	0.2
256.99722	1.6
267.06470	0.3
272.03085	0.2
279.06656	0.4
283.09702	0.3
294.09155	0.4
296.06900	1.2
297.07675	0.6
297.11063	0.3
309.11243	0.7
311.09238	1.4
312.10022	0.7
326.11606	0.8
327.12350	4.3
328.12659	0.3
369.19220	0.6
387.20340	1.1
429.21246	1.4
445.35144	0.2
451.32761	0.3
488.31403	0.3
489.07062	27.5
489.18207	0.9
489.23849	0.7
489.30304	18.1
490.07327	4.3
490.30591	2.8
513.57813	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.0718
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	0.3
59.01380	48.6
60.01727	0.3
61.98820	0.5
67.09200	0.3
71.01382	1.5
73.02953	0.8
79.95732	3.2
80.96517	1.4
85.02966	0.7
87.00883	0.9
89.02457	0.9
95.95255	0.8
96.73783	0.2
96.96022	100.0
97.95976	0.4
98.19913	0.9
101.02460	1.6
110.97582	1.4
113.02448	0.9
119.03542	0.4
138.97086	0.7
148.29126	0.3
166.96542	0.3
187.04109	0.3
203.07146	1.0
229.53070	0.3
241.00243	6.0
256.99722	4.1
369.19431	1.5
387.20248	1.0
429.21268	1.7
472.98212	0.3
488.30945	4.7
489.07065	72.0
489.30331	15.1
490.07382	10.0
490.30692	0.7
502.84372	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1436
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86145	0.2
55.01884	0.4
56.98022	0.3
57.03435	0.7
58.99603	13.3
59.01377	14.0
60.01686	0.3
61.98831	1.9
62.35773	0.2
69.48244	0.8
69.48666	1.4
71.01384	9.8
72.99313	0.4
73.02950	3.6
74.99104	0.6
75.00877	0.8
83.01391	1.1
85.02956	3.4
87.00881	12.7
88.01198	0.3
89.02449	3.7
89.02951	0.4
95.01408	0.8
96.96021	0.9
99.00886	1.1
99.92593	0.6
101.02453	5.5
101.03972	0.5
102.02701	0.3
102.98607	75.2
103.99010	1.1
113.02466	4.6
115.05550	9.0
115.92065	0.5
116.05875	0.3
116.92869	1.7
118.98122	0.4
119.03516	1.2
120.99667	0.5
125.02474	0.4
126.17800	0.3
127.00350	0.6
129.01907	0.2
137.00615	0.3
143.03499	0.5
143.08679	5.6
144.09048	0.3
159.02982	0.7
161.04573	5.6
162.05060	0.2
165.07426	0.4
174.03246	0.7
177.00206	0.5
178.00848	0.3
179.05630	0.8
187.07657	12.0
188.07950	0.8
189.00380	0.7
191.05600	0.6
203.07143	14.3
204.07503	0.9
205.07072	0.4
205.08733	1.1
207.13924	0.6
219.04820	0.4
221.06418	14.7
222.06729	1.1
224.05128	0.5
225.14943	1.5
239.07448	1.0
247.09734	3.3
249.06145	6.9
267.15869	0.4
283.04916	100.0
284.05310	5.2
285.03964	0.3
291.08792	2.6
292.09140	0.4
327.21570	0.3
369.19031	1.6
370.19339	0.4
404.07657	0.3
441.08633	0.3
471.13617	0.6
476.53751	0.3
489.14804	0.7
489.27151	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1462
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40186	0.9
50.86855	0.7
51.61700	0.8
55.01885	1.0
57.03443	1.9
59.01105	1.5
59.01377	16.7
61.98829	2.7
66.92165	0.8
70.17699	1.8
70.18100	1.7
71.01386	98.5
71.05018	1.1
72.01727	1.9
72.99316	25.2
78.95898	1.2
85.02954	2.0
87.00887	25.1
89.02448	10.0
101.02467	5.8
101.06072	1.2
102.05616	1.0
113.02449	2.6
115.00389	29.8
116.92910	0.8
119.03524	3.0
127.00465	0.9
128.03548	0.9
129.01952	8.8
133.01477	4.0
135.04524	1.8
146.04616	1.3
147.03017	100.0
147.06654	14.4
148.03348	3.1
159.60042	0.9
161.04556	1.1
162.06842	0.8
179.05690	6.2
191.05542	1.8
193.26230	0.8
201.24782	0.9
207.06607	2.7
249.07874	0.9
267.08731	11.8
341.10904	33.7
342.11224	2.6
351.48984	0.9
400.12390	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85134	0.2
59.01388	1.2
61.98856	0.2
69.25481	0.3
69.70246	0.6
69.70667	1.3
75.24178	0.2
98.19941	0.5
100.44263	0.2
116.92872	0.5
127.00383	0.4
133.01563	0.3
133.55711	0.3
134.07414	0.6
148.01653	0.5
161.06137	0.4
162.06868	3.6
163.03998	0.8
163.07272	0.3
164.04779	2.3
169.77284	0.3
173.02483	0.3
179.03481	0.3
189.00397	0.5
191.03828	0.3
191.05565	1.2
191.07172	2.9
192.04314	10.8
193.04611	0.6
205.05038	1.2
206.05852	4.4
207.06635	28.9
208.06981	1.4
221.04561	0.8
221.08206	5.2
222.08516	0.3
234.05354	0.8
238.04831	5.2
239.05290	0.5
249.07683	5.8
250.07997	0.5
265.07150	0.6
267.08710	100.0
268.09067	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	487.2407
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25064	0.6
57.03428	0.9
59.01377	13.4
61.98828	6.6
66.03458	0.8
69.03456	1.0
69.68394	4.7
70.02974	1.6
71.01383	5.6
73.02943	3.1
82.02983	6.2
83.01389	1.2
84.04545	1.5
85.02949	1.7
87.00893	0.7
89.02428	2.1
91.13590	0.7
93.03461	0.8
94.02997	1.2
96.96008	3.8
96.96976	1.7
97.04068	0.8
98.02473	1.5
98.95595	1.7
99.00897	1.2
99.92596	1.1
100.04047	1.1
100.07677	1.0
101.02447	3.8
101.07207	10.0
102.05625	1.1
109.04076	2.7
110.02520	0.8
110.15279	0.6
112.04054	1.9
113.02448	1.2
115.92078	2.8
116.07189	60.9
116.92845	1.7
117.03445	0.8
117.07515	1.4
119.03470	1.0
121.06621	0.9
121.65400	0.6
123.03290	2.9
123.05630	1.2
124.05280	0.6
125.02489	0.7
125.03610	1.4
126.05594	0.7
127.05148	19.1
127.08729	1.0
128.03557	25.4
129.03839	1.1
130.08768	1.7
136.11353	4.2
137.06087	0.9
139.07671	5.7
140.07115	1.3
141.10332	1.3
145.03011	3.0
145.06204	35.8
146.04572	1.0
146.06519	0.9
147.55237	0.6
151.07686	0.9
151.08801	1.0
153.09210	0.9
154.07466	2.6
155.08276	2.8
161.04608	0.9
163.04132	1.1
165.05412	0.7
165.08034	0.8
167.08267	1.3
168.07901	3.7
169.09947	0.7
179.03561	0.6
179.11896	2.4
180.04276	1.8
180.10318	29.9
181.10674	1.6
183.11360	4.8
184.64653	0.6
185.16592	8.3
190.02798	1.0
191.05577	1.5
191.10742	2.8
194.09375	1.2
195.07828	0.7
195.11391	1.9
195.14984	1.9
197.12956	6.8
203.03622	0.7
205.05052	1.7
211.14543	1.4
221.11749	3.7
222.12325	1.2
223.10887	14.1
224.09175	1.6
227.10364	2.2
229.15556	4.5
238.08342	1.4
239.06726	1.0
239.12839	3.4
240.13560	1.0
241.11879	6.8
242.12221	0.6
265.07257	4.3
265.10742	3.5
265.14368	0.6
270.21820	1.4
277.12646	0.6
278.18781	1.3
284.72195	0.6
296.19830	8.7
297.20117	0.9
308.15970	0.7
326.17139	1.1
340.18771	45.1
341.19205	4.0
352.15073	1.7
370.16269	5.6
371.16901	1.1
383.17157	1.2
401.10876	0.7
407.23035	1.1
425.23920	1.1
443.19379	1.7
451.10684	0.6
451.21729	6.7
460.85037	0.6
469.23050	25.9
470.23358	4.0
487.24069	100.0
488.24368	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	487.2912
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.2
57.03428	0.1
58.00582	0.2
59.01376	5.2
61.98819	0.2
62.13554	0.1
64.20754	0.1
69.03458	0.1
69.32526	0.1
69.58886	0.5
71.01384	3.9
72.01715	0.1
72.99313	0.3
73.02625	0.1
73.02953	0.8
75.00873	0.4
81.03440	0.1
83.01390	0.5
83.05035	0.3
85.02953	1.0
87.00884	0.4
89.02450	3.0
90.02775	0.1
91.04014	0.1
95.01404	0.3
97.02927	0.2
97.06612	0.1
98.19929	0.1
99.00865	0.3
101.02450	3.6
102.02805	0.1
103.04008	0.1
105.24916	0.1
112.01561	0.1
113.02460	1.8
113.30679	0.1
115.04018	0.1
119.03505	0.9
125.02440	0.2
131.03551	0.1
133.05101	0.3
137.66772	0.1
140.95277	0.1
143.03564	0.3
143.04497	0.1
145.05069	0.1
149.04587	0.1
157.05070	0.2
161.04567	1.4
172.92299	0.1
177.16423	0.1
179.05652	0.4
191.05678	0.1
233.19089	0.9
234.19350	0.1
235.08228	1.2
251.20145	100.0
252.20476	9.8
253.09261	13.1
254.09566	0.7
277.21732	0.2
421.31131	0.2
439.32135	0.2
469.33331	0.5
487.34335	2.4
488.28217	0.1
488.34265	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3425
Annotation	Asiatic acid
Peak:m/z	Relative Intensity
59.01373	0.7
59.43205	0.2
61.98817	1.0
69.81623	0.3
71.01376	0.4
87.45209	0.2
120.79362	0.3
141.25056	0.3
161.53244	0.3
199.40784	0.2
221.13141	0.3
263.20108	0.4
343.81714	0.2
439.31979	0.4
457.33026	1.5
469.33246	2.0
470.33215	0.4
487.34256	100.0
488.34583	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	488.2432
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70684	0.4
58.02709	0.5
58.02974	7.5
59.01362	0.8
61.98830	1.1
66.03478	1.2
67.03012	0.4
68.05082	0.4
70.02956	0.6
71.27818	1.1
72.00912	1.0
74.02477	15.3
81.04578	1.0
82.02976	1.5
83.35634	0.4
86.02483	7.5
86.06121	1.2
86.99091	1.4
87.05635	3.8
88.04026	0.8
89.63558	0.4
90.00215	2.0
97.04071	1.7
98.06123	0.6
99.05643	13.8
101.07196	2.0
102.05608	2.2
103.58434	0.4
107.06161	0.8
108.44624	0.5
109.04082	2.2
109.07744	0.6
111.05637	1.6
112.04048	1.8
113.03607	0.9
116.01753	1.3
120.01267	0.8
123.05642	2.2
124.04003	0.6
125.03582	1.3
127.05160	2.6
128.03554	40.2
129.03877	0.9
129.99677	0.5
131.04614	0.7
134.03751	1.9
135.05653	3.6
137.07208	1.3
139.01476	0.6
141.06706	3.6
143.04637	55.7
144.04994	1.2
145.06145	2.2
146.04602	5.3
149.07126	0.6
153.06683	3.8
155.08185	0.7
160.00746	16.5
166.09889	2.2
167.04625	4.6
167.08279	1.9
170.03319	1.0
171.03995	0.6
177.03407	5.2
179.04642	10.1
180.05005	0.6
181.06226	1.8
184.10931	0.7
185.05634	2.3
189.15488	0.5
192.07806	1.2
193.05037	1.5
197.05666	1.7
198.08873	0.6
210.08844	10.4
213.03397	1.0
231.04402	0.8
242.07788	1.5
254.07793	15.7
255.08054	0.6
272.08859	27.4
273.09094	1.7
288.06570	10.6
289.06772	1.1
291.22250	0.4
291.33115	0.4
306.07642	100.0
307.07935	7.7
313.69913	0.5
429.04962	0.6
487.68573	0.6
488.24188	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.2433
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02974	6.9
58.99609	0.5
59.01363	1.1
60.35493	0.5
61.98812	1.2
62.87014	0.5
66.03474	0.7
68.77099	0.6
70.02979	1.0
70.91839	0.9
70.92178	1.0
71.01383	0.9
72.00910	1.4
74.02473	15.6
81.04598	0.8
82.02986	1.2
84.04555	0.7
86.02486	5.9
86.06142	1.2
86.99099	1.5
87.05642	3.9
90.00182	2.0
96.04600	0.5
97.04073	2.1
99.05652	13.1
101.07202	2.2
102.05605	2.0
107.06149	0.9
109.04085	2.6
109.07729	0.8
111.05667	1.2
112.04061	1.4
116.01763	1.9
123.05677	1.2
124.04044	0.9
125.03584	0.9
126.01925	0.7
127.05165	3.1
128.03555	38.5
129.03896	0.7
131.04633	0.9
135.05649	3.3
137.07230	1.0
141.06708	3.2
143.04637	55.9
144.04977	1.4
145.06238	2.7
146.04608	4.1
149.07193	0.8
153.06712	3.4
155.08348	0.6
160.00760	16.0
161.01051	0.8
166.09854	2.3
167.04582	4.1
167.08255	2.4
170.03337	0.7
171.07845	0.7
177.03413	6.5
179.04619	11.3
179.06105	0.7
180.04881	0.7
180.07823	0.6
181.06209	1.8
184.10934	0.7
185.05684	1.6
192.07785	1.6
197.05698	1.7
198.08733	0.8
210.08861	10.5
211.09050	0.6
213.03412	0.6
242.07787	1.8
254.07790	15.7
255.08057	0.7
272.08844	26.0
273.09189	0.6
288.06586	10.3
306.07648	100.0
307.07877	6.7
488.23950	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	0.8
57.03455	4.4
58.00594	0.5
58.03775	0.6
59.01379	100.0
60.01696	0.7
61.98829	7.0
69.03458	0.6
69.77690	1.2
69.78100	2.0
71.01382	11.6
72.99312	0.8
73.02952	9.6
75.00877	0.8
83.01403	4.0
85.02968	4.0
87.00869	1.2
87.05647	1.6
89.02454	3.6
93.03487	0.8
95.01401	1.0
96.00947	1.2
96.96030	1.5
98.19907	0.9
99.00906	1.4
101.02453	14.0
113.02476	4.7
116.92873	1.1
119.03531	1.9
121.03014	1.5
123.08201	1.3
125.02460	1.1
127.00416	1.1
129.06729	1.8
131.03574	1.1
142.87819	0.6
143.03590	1.1
148.04402	1.3
149.04591	1.7
153.09296	1.1
161.04549	5.1
161.25288	0.5
164.98865	0.5
165.09171	1.2
165.10466	0.7
166.08780	1.2
177.12883	1.2
179.05630	0.7
179.07120	5.7
180.07466	3.0
181.07784	2.4
182.49591	0.5
187.11235	0.5
189.00485	1.3
191.05611	7.3
195.13942	0.6
203.05702	1.1
205.12366	1.7
209.09354	1.1
221.11900	0.6
223.13382	8.7
243.11630	0.6
261.13043	0.7
265.10870	0.6
265.14365	1.6
341.11945	1.2
343.12967	1.0
358.14612	1.0
385.14063	0.6
401.18228	4.1
427.19794	2.0
443.19220	27.9
444.19635	4.0
488.21878	10.1
488.28522	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1457
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70069	0.3
50.94874	0.3
56.71799	0.4
57.03448	0.5
59.01379	5.6
61.98835	2.8
69.44862	0.4
69.51349	2.6
69.51761	0.8
71.01379	2.5
73.02949	2.2
74.98430	0.3
78.95901	0.5
81.03467	0.4
81.17548	0.4
83.01402	1.1
85.02956	1.1
87.00893	0.6
89.02449	1.7
94.38881	0.4
95.01360	0.4
96.96013	1.5
96.96974	1.4
99.00887	0.9
101.02460	1.9
112.98875	0.4
113.02479	1.4
116.07208	0.9
116.92877	0.6
117.03453	1.3
119.03475	0.5
119.05059	3.0
125.02439	0.7
127.00393	1.4
127.05154	0.9
128.03563	1.3
133.01471	0.5
139.07663	2.1
145.02982	6.2
145.06244	1.1
161.04591	0.7
162.01981	0.7
162.03252	10.9
163.04059	2.9
166.02731	0.3
167.48152	0.4
175.04008	0.9
176.04762	2.5
189.00447	1.5
189.05580	3.7
189.16539	0.3
190.02719	15.8
191.03157	1.3
191.05495	1.7
191.10847	1.2
203.03522	1.9
203.10867	0.5
204.04286	6.1
205.05066	40.9
206.05411	2.8
207.01588	0.5
219.03064	1.7
219.06529	2.8
232.03775	0.8
235.06151	0.8
236.03253	4.1
239.12944	0.8
241.11848	0.5
247.06139	3.1
263.05634	0.9
265.07156	100.0
266.07513	8.9
340.18823	0.6
353.15533	0.6
367.10254	0.9
383.17105	0.7
443.19464	0.8
487.14090	1.8
487.24731	2.3
488.24063	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.182
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	6.7
59.01376	100.0
61.98827	7.5
64.80170	1.6
69.03448	1.9
70.46162	7.6
71.01382	39.1
72.80159	1.8
73.02947	33.6
74.03271	1.8
78.95876	1.8
82.02975	2.3
83.01390	10.5
84.45047	1.6
85.02956	9.8
86.61497	1.8
89.02448	12.4
94.18738	2.1
95.01366	2.4
96.96020	6.5
98.95601	2.7
99.00900	4.1
99.04607	2.1
101.02447	30.3
109.06571	2.2
113.02454	17.1
115.92086	8.2
116.07182	6.5
116.92873	5.9
119.03535	3.3
121.06518	2.5
122.03722	5.0
124.05315	8.8
125.02460	10.8
125.06080	2.4
127.05090	3.6
128.03516	5.6
137.06123	5.3
139.07657	71.3
140.07996	2.4
143.03470	3.7
145.06232	4.0
149.09721	5.2
151.07666	3.7
159.02890	2.2
161.04597	14.0
163.07600	2.8
168.07938	33.5
173.09877	2.5
179.10757	2.9
191.05669	1.8
191.10809	34.1
193.05032	10.2
203.10794	7.2
209.04605	2.1
209.11853	14.9
221.06740	2.7
221.11832	22.0
239.12856	28.4
240.13370	2.2
250.08488	3.6
265.10706	11.5
288.88916	2.1
318.73880	1.7
340.18741	4.6
353.16022	5.7
371.17334	2.6
383.17065	14.6
401.17880	4.1
413.18152	2.5
436.43216	1.9
443.19174	12.1
469.23090	2.4
487.14035	5.0
487.24289	17.6
488.24298	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32321	0.2
54.92644	0.2
57.03439	0.9
59.01379	100.0
60.01715	1.1
61.98838	1.9
63.63190	0.2
69.03440	0.2
71.01389	3.5
71.69929	0.3
72.99324	0.3
73.02951	3.5
73.03310	0.3
75.00909	0.2
78.95929	0.3
83.01385	1.1
83.05055	0.3
85.02985	0.6
87.00890	0.5
87.80080	0.2
89.02456	1.5
95.01441	0.4
95.05031	0.2
96.96027	0.9
96.96978	0.2
97.02946	0.3
99.00909	0.7
99.04519	0.3
101.02451	4.0
107.05051	0.3
109.03053	0.2
113.02444	1.6
115.00424	0.3
115.92021	0.2
116.92912	0.6
119.03536	0.6
125.02496	0.3
127.00439	0.5
131.03513	0.5
134.05217	0.2
143.03535	0.4
145.06190	0.2
148.05377	0.6
149.04620	0.2
152.99590	0.3
161.04585	1.3
163.07761	0.3
163.11313	0.6
164.04863	0.5
169.45851	0.2
178.06418	0.4
179.05685	0.3
179.07152	0.5
181.05110	0.3
186.14565	0.2
189.00475	0.6
191.05676	0.6
193.05136	0.2
193.08762	0.6
205.12358	2.3
209.11937	1.2
223.13435	0.4
265.14478	0.7
281.14093	0.2
297.50989	0.2
309.07758	0.2
325.10864	0.3
443.15161	0.2
455.16495	0.2
487.06097	0.3
487.19781	1.7
487.28192	0.2
488.21017	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.1898
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34451	7.4
59.01379	24.4
59.76678	6.5
59.88401	7.3
61.98836	42.1
62.35058	5.7
71.01383	6.6
71.70072	9.3
78.95936	29.7
80.29221	5.9
87.00948	5.8
89.02452	6.6
94.71179	6.1
96.95995	9.5
96.96950	7.6
101.02476	7.1
116.92861	34.3
119.05043	33.8
124.00430	14.0
125.02492	10.4
127.05138	6.9
128.03561	22.4
145.06252	8.8
147.05725	6.7
155.78287	7.6
160.06058	7.3
163.04054	22.1
171.94632	6.0
217.05830	6.3
231.62668	6.5
245.05681	19.7
246.05991	28.6
254.61165	6.1
255.22452	5.8
255.41440	6.0
399.09784	13.2
409.08487	6.7
426.12274	24.9
442.28073	9.5
445.32544	7.4
486.14093	100.0
486.25302	13.1
487.14639	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	486.19
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11916	8.4
56.11481	8.7
59.01392	21.4
61.98822	29.1
69.38692	100.0
71.01389	21.4
73.02970	8.5
75.00858	9.9
76.55015	7.8
78.91917	11.5
78.95918	74.0
89.02422	10.8
96.96004	29.7
96.96971	20.0
99.92635	8.0
103.63320	9.3
103.92041	8.8
109.24727	9.0
116.92863	89.9
119.05028	54.3
121.02908	19.2
125.02453	23.8
128.03531	16.6
133.11386	8.8
139.07706	8.8
145.06226	11.1
146.04581	8.9
163.04033	57.3
164.10762	20.9
188.00044	10.3
191.05624	10.1
244.41386	9.3
245.05841	12.0
246.06094	13.9
286.14426	18.8
357.08679	14.5
399.09918	33.1
486.13968	32.5
486.19571	23.0
487.14224	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	487.1012
Annotation	Unknow
Peak:m/z	Relative Intensity
55.16652	0.6
56.49326	0.5
57.03433	0.6
59.01376	12.5
61.98822	2.0
68.99798	0.8
71.01383	9.5
71.69682	1.2
72.99316	0.6
73.02557	0.8
73.02946	11.8
75.00877	0.5
76.23306	0.5
83.01403	2.9
85.02948	2.6
87.00877	0.8
89.02455	0.8
95.01389	0.7
99.00904	1.1
101.02461	7.5
102.02689	0.5
104.02760	0.5
111.00907	0.5
113.02457	3.3
125.02477	0.8
143.03525	0.6
145.61534	0.5
146.03735	1.0
158.03717	0.8
160.01668	6.2
161.04544	1.2
171.04564	0.8
173.02415	1.6
173.09714	1.4
174.03214	9.5
175.03543	1.0
182.03732	2.2
187.07640	5.0
189.00420	0.7
191.05585	0.7
199.11287	0.9
201.11259	1.0
203.07141	100.0
204.07486	7.0
205.08614	3.7
215.07167	1.1
217.08667	3.9
225.09216	6.2
226.09511	0.8
229.14426	1.5
243.10315	1.3
245.08163	10.9
246.08499	1.1
269.08228	1.6
283.13507	0.8
283.19260	0.7
287.09253	1.0
343.28815	0.7
407.13550	0.6
487.25302	2.0
487.32794	3.6
488.33127	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1245
Annotation	venturamide A
Peak:m/z	Relative Intensity
57.03445	1.0
58.33704	0.3
58.99585	0.6
59.01378	12.1
61.98833	2.8
63.72042	0.4
69.74240	2.3
71.01382	7.2
72.99318	0.4
73.02945	2.3
75.00892	0.5
83.01400	1.5
85.02955	1.0
87.00886	1.2
89.02452	1.7
93.03491	0.5
95.05067	0.5
96.96025	7.7
97.06593	0.3
98.19907	0.7
99.00900	1.7
101.02437	2.4
102.98611	3.9
113.02473	1.1
115.00388	3.1
116.07208	1.3
116.92847	0.5
117.03506	0.4
119.03529	0.7
120.40916	0.3
121.02969	4.3
125.02525	0.4
125.99679	0.4
127.00406	2.6
133.01457	1.6
133.02966	1.3
134.03790	0.5
145.06294	0.4
146.03726	0.4
147.00871	0.6
147.04573	0.4
148.01686	4.6
149.02467	14.0
150.02945	0.5
159.04521	0.3
161.04599	0.6
162.03259	0.7
167.40512	0.3
175.99440	1.3
176.01166	1.3
177.01945	35.4
178.02319	2.0
189.00450	2.1
190.01001	1.2
190.02715	21.9
191.03267	1.2
191.05644	0.8
191.07170	0.8
193.01425	8.8
204.00670	1.3
205.01428	15.3
205.08681	0.5
206.01874	0.7
207.08044	0.3
210.98683	1.2
211.13148	0.3
218.02206	46.3
219.02638	3.0
219.04872	13.3
220.05226	0.9
221.00883	0.5
225.05333	0.3
237.05577	0.4
239.07076	0.7
243.79623	0.3
249.05865	0.5
251.07112	1.6
253.04524	0.6
262.06406	0.3
263.07309	0.7
264.07870	0.4
265.14307	0.8
267.06659	3.5
279.06592	1.9
281.07849	0.4
282.09012	1.6
283.04874	2.1
283.15445	0.4
294.05331	0.8
294.08640	0.6
295.06195	1.0
306.05423	0.5
307.06143	0.9
307.19031	0.4
309.07715	1.2
310.08322	0.7
322.08456	0.9
323.05533	2.0
324.06393	1.9
325.07187	5.8
326.07809	1.5
338.08078	2.5
341.10336	6.3
342.10596	0.8
353.10330	9.5
354.10638	1.2
367.08325	0.4
371.11423	3.8
372.11932	0.4
401.14938	3.6
443.15948	2.6
460.68713	0.4
487.12436	100.0
487.25049	3.4
488.12772	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	485.1666
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	31.4
58.03780	0.6
59.01376	1.0
61.31960	0.2
68.87593	0.2
69.84647	1.3
71.01389	0.3
73.02953	0.5
93.03467	1.0
99.04507	0.4
101.02441	1.3
109.02974	1.9
109.03658	0.3
121.02970	22.1
122.03313	0.6
125.02492	0.4
127.00359	0.4
156.51740	0.2
156.60300	0.2
177.05568	0.5
178.06342	0.5
179.07149	100.0
180.07495	6.3
186.15306	0.3
189.00410	0.4
190.00706	0.2
191.00848	0.3
191.05640	0.4
221.08292	0.4
323.11349	0.6
341.12411	19.6
342.12668	2.2
383.13492	5.5
384.13815	0.4
423.16656	0.6
485.16644	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2752
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01350	0.0
55.01871	0.4
57.03441	0.2
58.00594	0.3
59.01376	7.5
60.01702	0.1
69.03448	0.1
70.48595	0.1
71.01382	4.6
72.01725	0.1
72.99319	0.3
73.02950	1.2
75.00887	0.0
81.03468	0.1
83.01389	0.5
83.05039	0.4
85.02956	1.0
86.00143	0.0
87.00880	0.4
89.02448	3.9
90.02798	0.1
91.04032	0.2
95.01389	0.5
97.02972	0.2
97.06610	0.1
99.00874	0.3
99.04517	0.0
101.02452	4.6
101.93479	0.0
102.02782	0.1
103.04031	0.2
111.08218	0.0
113.02459	2.3
115.04032	0.2
117.01962	0.0
119.03511	1.0
125.02441	0.2
127.11246	0.1
129.01968	0.1
131.03493	0.2
133.05112	0.3
143.03508	0.4
145.05083	0.1
149.04544	0.1
157.05069	0.2
161.04568	1.7
162.06978	0.1
177.16415	0.2
179.05594	0.6
187.06090	0.1
205.19591	0.8
206.20047	0.1
229.15936	0.1
231.17502	0.8
232.17776	0.1
235.08220	1.5
236.08502	0.1
247.16974	0.3
249.18573	100.0
250.18909	9.3
253.09256	15.7
254.09598	0.8
263.19922	0.1
295.22720	0.1
319.31570	0.0
472.39578	0.0
500.90182	0.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2758
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.3
57.03445	0.1
58.00587	0.3
59.01379	7.4
60.01717	0.1
60.08417	0.0
61.98830	0.3
69.03459	0.2
71.01385	5.2
71.69576	0.1
71.69999	0.1
72.01730	0.1
72.99319	0.3
73.02950	1.1
74.03336	0.1
75.00874	0.1
78.95910	0.1
81.03455	0.1
82.76512	0.1
83.01394	0.6
83.05036	0.4
85.02956	1.2
87.00881	0.6
89.02450	3.9
90.02779	0.1
91.04028	0.2
94.19906	0.0
95.01399	0.4
95.05054	0.1
97.02957	0.2
97.06609	0.2
99.00889	0.4
101.02456	5.2
101.29698	0.0
102.02789	0.1
103.04037	0.1
109.03024	0.1
111.04515	0.0
113.02466	2.2
114.02827	0.1
115.04047	0.1
119.03524	1.1
125.02457	0.2
127.11313	0.1
131.03532	0.2
133.05118	0.3
136.19673	0.0
143.03534	0.5
145.05060	0.1
149.04549	0.1
157.05098	0.1
161.04582	1.6
162.04890	0.1
175.14951	0.1
177.16501	0.3
179.05632	0.6
205.19603	0.9
206.20032	0.1
231.17566	0.9
235.08264	1.3
241.57275	0.0
247.16930	0.3
249.18585	100.0
250.18921	9.5
253.09273	16.7
254.09589	0.8
381.22305	0.1
441.24170	0.1
485.32703	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.104
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54920	0.5
59.01375	4.6
61.98829	100.0
69.63802	2.9
69.64211	1.0
71.01389	2.0
72.99330	0.5
73.02953	0.4
83.05020	0.6
85.02968	1.0
88.51474	0.4
88.98820	1.1
96.96028	0.9
99.00890	0.4
101.02473	0.7
103.05630	0.5
108.26117	0.6
113.02489	1.2
141.33795	0.4
167.18498	0.4
167.50760	0.5
171.14030	0.7
181.08783	1.3
209.11842	0.5
229.14482	1.0
247.65315	0.4
343.28516	0.6
358.53586	0.5
487.25833	0.7
487.32980	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	483.1539
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01099	1.1
59.01376	9.9
61.98828	4.2
68.00713	0.7
68.99841	0.9
71.01383	2.6
71.57933	0.8
73.02955	4.4
73.03306	0.8
73.80552	0.9
78.86560	0.8
78.95911	3.6
79.33966	0.9
79.95738	2.3
80.96514	2.0
83.01388	3.4
85.02923	1.0
88.96409	0.9
88.98783	1.4
96.96019	100.0
99.00884	2.4
99.92586	1.4
101.02436	1.8
101.54729	0.8
115.92050	1.0
116.92883	1.1
127.00388	4.9
152.99600	1.8
164.98582	1.0
189.00418	7.7
205.22638	1.0
233.96233	1.8
241.00252	1.9
292.97580	2.2
379.14264	2.5
397.15369	99.4
398.15765	9.0
439.16409	80.8
440.16687	9.8
468.55286	0.9
483.15378	50.3
483.25488	1.5
484.15680	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	483.2008
Annotation	Unknow
Peak:m/z	Relative Intensity
56.72510	2.7
57.03436	11.4
59.01375	69.4
61.98832	100.0
71.01390	21.4
71.60960	4.6
72.99303	2.9
73.02947	46.5
76.82899	2.7
78.95904	7.8
80.08978	2.7
83.01388	32.7
85.02974	4.1
87.00890	4.1
89.02440	12.4
96.96019	5.8
97.06599	5.7
99.00883	27.7
101.02446	19.2
102.02795	3.6
108.42085	3.7
111.00880	4.8
113.02435	7.8
119.03478	3.5
126.99503	4.5
127.00388	64.3
128.03575	4.4
137.09753	3.2
142.99872	3.3
149.04570	7.7
152.99594	9.1
154.06197	3.0
161.04500	4.3
170.37732	3.2
175.07671	5.1
176.96948	5.3
177.27290	3.0
181.05920	7.7
181.08702	8.0
189.00426	77.1
190.00836	5.0
191.05647	4.8
197.07867	2.8
203.03522	4.3
209.11829	6.5
219.06676	18.7
225.11348	4.2
227.12979	3.8
261.14893	8.1
423.12659	8.4
447.22379	32.8
448.22363	4.1
483.19589	27.5
483.33057	4.7
484.20874	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	485.1413
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77782	0.4
52.01922	0.3
59.01380	5.5
59.61052	0.3
61.98819	1.2
65.99841	0.7
68.01411	2.0
68.99814	1.8
70.47585	0.7
70.47971	0.6
71.01391	3.4
71.64289	0.3
72.99312	0.7
75.00872	0.7
78.95914	1.0
85.02950	1.2
87.00870	0.4
89.02446	1.8
96.00937	0.9
96.96021	1.4
96.99314	1.9
99.00893	7.9
101.02453	1.9
113.02458	1.4
114.01986	2.2
115.90143	0.4
119.03539	0.4
121.02953	0.4
122.06170	0.4
124.00423	12.4
129.04733	0.4
131.06139	0.5
133.04091	1.3
139.04034	0.6
145.04065	0.9
145.07733	1.8
146.04854	0.6
146.06117	1.1
147.05659	8.2
158.04861	0.7
159.05661	9.7
161.07248	1.3
162.05606	0.6
164.10876	0.4
171.05682	0.8
173.07201	4.1
174.05617	0.5
184.02504	0.6
186.04295	0.6
187.05125	4.1
189.06746	3.6
190.05119	0.5
201.06761	2.3
208.60327	0.4
215.04469	0.6
217.06157	4.3
218.04578	3.2
225.25764	0.4
227.04558	0.5
245.05659	50.6
246.06030	3.3
247.07246	1.4
286.14667	0.4
305.07870	2.6
425.11993	25.6
426.12216	2.5
485.14124	100.0
486.14319	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	485.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06805	1.3
57.03444	3.7
59.01378	100.0
61.98531	2.2
61.98832	29.7
66.23801	1.4
69.03463	9.4
69.92287	2.1
69.92696	7.2
71.01381	25.4
71.05031	15.4
73.02950	27.1
73.06520	1.3
81.76928	1.3
83.01398	8.4
85.02960	6.0
87.00886	2.2
93.03468	4.4
96.96030	10.1
97.02971	2.1
99.00891	2.2
101.02448	18.1
111.00948	1.8
113.02464	8.1
121.02980	14.9
125.02453	1.8
127.00379	5.0
133.03055	1.3
134.03761	3.2
142.99907	1.6
143.03503	2.3
149.02466	1.8
161.02470	40.8
161.04588	3.2
162.02696	2.1
171.42986	1.3
177.09178	4.4
180.06654	2.6
184.94736	1.3
189.00412	5.4
189.01958	11.2
191.05640	2.8
199.09735	2.5
201.05565	2.5
209.11748	1.7
213.31906	1.4
219.02998	3.2
221.08199	69.1
222.08531	4.1
229.14307	3.0
231.03040	2.5
287.22299	1.9
332.61911	1.7
399.13312	4.7
402.35144	1.6
441.14133	4.0
441.21225	5.0
449.14410	1.5
485.13220	1.9
485.24207	2.9
485.31906	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	481.2569
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28444	0.8
63.32890	0.7
70.45029	3.0
73.72002	0.9
78.95907	62.8
96.96951	4.8
128.60814	0.9
138.05914	0.7
152.99597	63.6
171.00656	19.9
227.03279	4.2
245.04298	100.0
246.04616	2.9
253.21710	63.8
254.22038	5.5
331.38202	0.9
453.71753	0.9
481.25684	53.0
482.25940	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	481.2569
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48513	0.4
54.96521	0.4
55.77001	0.5
70.87489	0.7
70.87818	0.9
75.44506	0.4
78.95905	29.8
96.96974	3.2
100.83033	0.4
150.98033	0.8
152.99599	50.8
153.99977	1.1
165.23543	0.5
171.00652	15.5
223.67673	0.5
227.03293	4.0
245.04295	100.0
246.04691	3.8
253.21707	60.8
254.22028	7.3
481.25702	51.1
481.32809	1.0
482.25922	9.0
482.32336	0.7
502.68964	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.224
Annotation	Unknow
Peak:m/z	Relative Intensity
56.25565	0.5
58.28186	0.5
59.52361	0.6
61.43113	0.6
61.98830	100.0
68.99586	1.1
73.02939	0.7
101.78967	0.6
112.98573	1.2
127.00407	0.9
184.90196	0.6
189.00435	1.4
215.95856	0.6
229.66226	0.7
318.11838	0.6
372.91370	0.7
480.03320	0.6
489.87827	0.7
499.25473	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1142
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65288	0.2
51.68315	0.2
55.95848	0.2
57.03451	4.0
59.01382	2.2
69.51620	1.6
69.52026	0.6
71.01409	0.3
73.02946	4.0
83.01389	3.4
89.03918	0.3
93.03477	1.0
96.96019	2.0
99.00893	2.1
99.04544	1.9
101.02437	1.2
105.03484	0.5
108.02194	1.1
108.65926	0.3
120.02222	0.4
121.02964	0.9
123.04497	1.2
125.02488	0.4
127.00383	7.2
132.02164	0.3
133.02972	2.2
142.99854	0.3
146.08231	0.4
148.01689	0.6
149.02452	1.8
161.04558	1.2
175.04088	0.3
175.99622	0.4
176.01161	10.2
177.01941	100.0
178.02292	5.2
189.00417	9.1
190.00768	0.3
207.01460	0.6
305.08667	0.4
321.06201	3.1
339.07205	31.6
340.07529	2.8
381.08270	12.8
382.08716	1.1
395.54224	0.3
421.11533	2.3
452.18118	0.5
483.11389	3.8
483.16400	1.2
484.11057	0.4
501.48929	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1144
Annotation	Esculetin 6-O-brta-D-[6'(3-hydroxy-3-methylglutaryl)]glucoside
Peak:m/z	Relative Intensity
53.16385	0.2
57.03449	3.7
59.01382	2.1
69.47600	0.2
70.97884	0.5
73.02947	1.7
83.01372	1.0
83.19743	0.2
84.87464	0.2
93.03486	0.7
95.01424	0.2
95.05052	0.2
97.02975	0.2
99.00899	1.0
99.04533	1.8
99.05125	0.3
101.02448	0.9
105.03484	0.5
108.02182	1.2
120.02212	0.5
121.02952	0.8
123.04539	0.8
125.02454	0.7
127.00394	2.4
132.02130	0.3
133.02983	1.8
146.08205	0.4
148.01686	0.7
149.02457	1.6
160.22437	0.2
161.04570	1.4
175.04025	0.5
175.99588	0.4
176.01170	13.4
177.01952	100.0
178.00760	0.4
178.02289	5.2
189.00439	3.5
189.01981	0.3
219.03021	0.3
252.00061	0.2
287.23508	0.2
288.78732	0.2
305.08707	0.5
321.06152	6.2
322.06467	0.4
339.07214	35.4
340.07553	3.4
381.08273	12.5
382.08511	1.5
421.11426	1.5
422.11490	0.2
455.15244	0.2
483.11600	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	1.1
57.03437	1.1
57.68972	0.2
58.00595	0.8
59.01378	47.3
60.01717	0.5
60.67904	0.2
60.99307	0.7
61.98825	0.3
65.00337	0.3
67.01887	5.0
69.03461	1.2
69.17072	0.2
69.42647	1.8
71.01383	19.5
72.01753	0.2
72.99306	1.2
73.02948	16.3
74.03284	0.2
75.00880	0.2
78.95926	0.2
79.05536	2.1
81.03464	0.8
83.01389	4.7
83.05037	0.3
85.02956	6.3
87.00882	4.2
88.01231	0.2
89.02451	5.0
92.37873	0.2
93.03468	14.2
94.03794	0.4
95.01404	1.4
97.02982	0.5
98.19914	0.3
99.00901	1.8
99.04548	0.4
101.02451	12.1
102.02784	0.3
105.07092	0.3
107.01405	0.8
107.05042	12.0
108.05397	0.6
111.00921	0.2
111.04543	2.4
113.02458	5.5
114.02731	0.2
116.99989	0.2
119.03502	1.4
125.02486	0.7
129.01971	0.4
129.07095	0.5
131.03500	0.5
131.08678	1.2
133.06602	0.5
134.03732	1.3
135.04529	0.7
137.02460	0.5
143.03497	1.0
147.04507	0.2
147.08145	0.2
149.04581	0.2
149.06119	0.2
155.03494	0.7
159.04541	0.3
161.04605	0.8
161.05922	0.2
162.06949	0.3
169.10263	0.4
171.08177	0.5
171.11841	0.8
172.30115	0.2
173.04585	7.9
173.06009	0.4
173.09718	0.5
175.04097	0.6
175.07660	19.8
176.07988	1.6
178.02701	1.4
179.03511	0.3
187.07663	0.3
187.11310	0.3
197.06006	0.3
197.09689	2.4
199.07652	2.2
199.79567	0.2
200.08429	0.8
205.05045	0.5
207.06592	0.3
213.09229	0.6
215.07239	2.8
215.10770	54.8
216.11093	4.3
217.05096	0.5
217.12370	1.0
219.06638	7.1
220.07069	0.4
233.11824	6.8
234.12157	0.3
238.04848	0.2
241.08691	3.7
242.09050	0.4
243.06531	0.5
253.17686	0.2
259.09732	63.4
260.10080	4.9
261.11273	1.4
275.09335	0.3
277.10785	12.6
278.11148	0.9
290.07858	0.2
317.13983	0.3
319.11893	0.3
361.12744	0.4
377.16089	1.0
388.65054	0.3
395.17099	2.0
421.10669	0.3
421.15009	19.4
422.15277	2.8
439.16089	25.7
440.16409	3.2
449.14539	6.3
450.14819	0.9
481.17108	100.0
482.17468	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	481.1383
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20652	0.7
54.14170	0.7
57.03445	0.8
57.53394	0.7
59.01376	13.3
61.98829	8.3
65.03143	0.7
71.01376	4.2
71.66664	1.3
72.99303	1.1
73.02959	1.5
75.00887	0.7
78.95904	2.2
79.95741	8.4
80.96529	1.5
85.02958	2.6
89.02462	1.9
95.95248	2.9
96.96018	100.0
99.00878	1.6
101.02479	2.0
103.00391	3.9
111.00868	1.1
113.02454	1.5
123.19397	0.7
127.00404	1.1
134.42825	0.7
150.97006	1.3
152.98502	0.9
152.99588	2.3
216.06912	0.8
240.92000	0.9
241.00314	1.7
256.99600	4.3
267.00552	0.8
299.00635	1.6
347.14240	0.8
372.20154	0.8
377.12714	1.9
392.90640	0.8
395.13797	84.4
396.14151	8.0
409.69666	0.8
437.14841	60.6
438.15134	6.5
463.12585	1.9
481.13843	50.6
481.20883	2.0
482.13995	5.4
483.76456	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1718
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	1.8
59.01374	2.4
60.35086	0.2
60.99309	6.0
61.98835	0.5
65.03954	0.8
67.01892	15.8
69.03455	4.2
69.59841	1.8
71.01387	5.3
73.02950	1.0
81.03466	2.8
83.01411	0.5
83.05029	2.7
85.02961	0.9
87.00885	20.6
88.01222	0.4
89.02447	0.4
93.03468	100.0
94.03805	3.1
97.02988	0.5
97.06599	0.9
98.25706	0.3
98.35869	0.3
99.00890	2.3
99.04516	1.7
101.02441	0.6
101.06104	1.0
109.02979	0.7
111.00916	0.4
111.04537	14.6
112.04872	0.4
113.02450	2.1
115.04037	0.6
127.00360	0.5
129.01958	2.7
133.02971	1.1
133.70752	0.3
134.03760	20.0
135.04631	1.8
137.02486	1.1
143.03519	1.3
152.99590	0.3
155.03499	3.5
173.04561	61.0
174.04883	2.8
177.01962	1.0
178.02722	3.0
179.03456	0.3
189.00412	0.5
191.05598	1.7
195.13693	0.3
216.20027	0.3
231.10226	1.0
275.09283	0.9
307.11850	3.2
308.12100	0.5
323.74210	0.3
374.23312	0.2
374.28986	0.2
391.00626	0.3
421.20871	1.0
449.14511	12.2
450.14871	1.7
481.17117	50.0
482.17493	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	479.2416
Annotation	Unknow
Peak:m/z	Relative Intensity
61.42088	0.7
61.98838	11.0
68.83635	0.7
71.62208	1.9
78.95908	49.7
80.96317	2.6
84.60675	0.7
96.96959	4.5
135.02968	1.4
142.99854	0.9
150.98062	0.7
151.06906	0.8
152.99611	57.4
153.99965	1.3
155.00003	0.9
171.00650	17.8
173.00954	2.5
198.04233	0.8
206.99756	1.3
227.03271	4.8
232.10892	0.8
245.04303	100.0
246.04553	3.5
251.20161	58.8
252.20541	5.8
261.32220	0.9
279.23087	1.2
280.23584	4.1
281.23764	3.4
282.24210	4.1
287.15985	0.8
317.21069	1.1
433.69501	0.8
471.00452	0.8
478.27917	1.3
479.23773	40.5
480.24414	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	479.2498
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
60.01716	1.1
61.98819	1.2
67.18184	0.2
70.29662	1.2
71.01379	0.4
78.95931	0.4
87.04516	4.3
96.96033	0.7
96.96979	0.3
116.92901	0.5
191.05670	0.3
212.85336	0.3
377.22195	0.3
393.92899	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.3095
Annotation	LPE(18:0/0:0)
Peak:m/z	Relative Intensity
52.74841	0.3
59.33521	0.2
61.98830	73.2
64.39057	0.2
71.57717	0.5
73.33607	0.3
78.95909	18.7
90.64198	0.3
108.20221	0.3
122.00150	0.7
140.01204	5.6
140.07935	0.3
152.99603	3.3
171.00662	0.4
190.88708	0.3
196.02061	0.6
196.03813	9.6
197.04248	0.4
214.04921	2.5
245.04279	1.2
253.21822	0.5
255.23289	0.8
283.26419	100.0
284.26758	11.1
304.40735	0.3
409.23547	0.4
424.29980	0.3
480.30945	37.0
481.25443	0.8
481.31354	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
50.32528	0.4
52.91551	0.3
55.01865	0.4
57.03437	0.7
59.01375	6.1
59.80934	0.3
59.98557	0.3
61.98822	2.5
63.17049	0.3
69.03467	0.4
69.48273	3.0
71.01382	6.4
71.02465	0.7
71.05032	1.8
72.99306	0.5
73.02956	1.7
73.04067	1.1
74.27733	0.3
83.01378	1.1
83.05009	1.0
85.02943	1.3
87.00882	0.7
88.04040	2.2
88.98787	0.4
89.02434	2.5
95.01364	0.4
96.95982	0.6
97.02962	3.4
97.06582	1.3
99.00884	13.4
101.02454	3.6
103.05123	0.4
109.06595	0.9
110.03675	0.6
113.02459	1.7
115.00386	5.2
116.05045	0.4
116.92901	0.4
119.03473	0.7
121.02937	0.5
123.04493	0.4
123.08157	0.7
125.02459	0.4
125.09749	4.5
127.00353	0.8
127.11349	0.4
129.10355	2.2
132.03033	2.7
135.08142	0.5
136.05310	0.6
142.02710	0.6
146.06107	0.9
147.04483	0.4
151.00388	1.1
152.01057	0.9
153.12857	0.6
155.14403	0.5
161.04536	0.9
163.11301	5.4
164.07158	1.2
164.11635	0.5
167.03484	0.4
167.05707	0.7
168.11330	0.6
169.09889	0.5
171.10255	1.0
172.91393	0.3
178.99873	0.6
181.12354	13.5
182.12692	0.7
186.12491	5.3
189.00392	0.5
191.05597	1.2
192.38614	0.3
197.11852	0.7
199.13400	10.7
200.13702	0.9
201.95531	0.3
207.10269	22.4
208.10609	2.0
224.12785	1.1
225.11324	35.6
226.11716	2.2
227.03448	0.5
227.12845	0.5
241.01532	0.3
241.13429	0.7
242.01985	0.5
243.02727	0.5
243.12366	25.5
244.12750	1.6
253.09181	1.2
255.02924	0.4
256.03156	0.3
258.16010	0.7
264.28711	0.3
270.01694	0.8
271.02405	1.4
272.03098	1.1
273.03827	0.5
287.14923	0.6
298.01077	0.7
299.01993	3.1
299.14813	0.4
301.03455	1.3
302.03860	0.4
303.04080	1.6
315.18304	2.7
316.02280	0.9
317.15817	0.5
317.19556	0.4
327.04364	0.4
333.19263	2.0
334.17706	0.3
347.20844	0.4
363.20355	3.5
364.18665	5.0
365.19022	0.5
435.22598	0.4
461.07077	0.8
461.20279	1.1
479.08932	7.5
479.21234	100.0
480.08374	0.9
480.21603	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	478.2945
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00808	0.3
61.98832	24.7
62.96393	0.3
69.41109	3.5
78.95908	27.1
96.96954	1.2
98.20710	0.8
122.00197	0.7
140.01210	5.1
141.66454	0.3
152.99599	4.0
164.80003	0.4
171.00650	3.2
171.49837	0.3
196.02060	0.7
196.03815	10.1
196.05615	0.6
214.04875	1.9
220.72427	0.4
278.18912	0.3
281.24844	100.0
282.25195	10.5
478.29395	40.8
479.29749	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	479.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32528	0.4
52.91551	0.3
55.01865	0.4
57.03437	0.7
59.01375	6.1
59.80934	0.3
59.98557	0.3
61.98822	2.5
63.17049	0.3
69.03467	0.4
69.48273	3.0
71.01382	6.4
71.02465	0.7
71.05032	1.8
72.99306	0.5
73.02956	1.7
73.04067	1.1
74.27733	0.3
83.01378	1.1
83.05009	1.0
85.02943	1.3
87.00882	0.7
88.04040	2.2
88.98787	0.4
89.02434	2.5
95.01364	0.4
96.95982	0.6
97.02962	3.4
97.06582	1.3
99.00884	13.4
101.02454	3.6
103.05123	0.4
109.06595	0.9
110.03675	0.6
113.02459	1.7
115.00386	5.2
116.05045	0.4
116.92901	0.4
119.03473	0.7
121.02937	0.5
123.04493	0.4
123.08157	0.7
125.02459	0.4
125.09749	4.5
127.00353	0.8
127.11349	0.4
129.10355	2.2
132.03033	2.7
135.08142	0.5
136.05310	0.6
142.02710	0.6
146.06107	0.9
147.04483	0.4
151.00388	1.1
152.01057	0.9
153.12857	0.6
155.14403	0.5
161.04536	0.9
163.11301	5.4
164.07158	1.2
164.11635	0.5
167.03484	0.4
167.05707	0.7
168.11330	0.6
169.09889	0.5
171.10255	1.0
172.91393	0.3
178.99873	0.6
181.12354	13.5
182.12692	0.7
186.12491	5.3
189.00392	0.5
191.05597	1.2
192.38614	0.3
197.11852	0.7
199.13400	10.7
200.13702	0.9
201.95531	0.3
207.10269	22.4
208.10609	2.0
224.12785	1.1
225.11324	35.6
226.11716	2.2
227.03448	0.5
227.12845	0.5
241.01532	0.3
241.13429	0.7
242.01985	0.5
243.02727	0.5
243.12366	25.5
244.12750	1.6
253.09181	1.2
255.02924	0.4
256.03156	0.3
258.16010	0.7
264.28711	0.3
270.01694	0.8
271.02405	1.4
272.03098	1.1
273.03827	0.5
287.14923	0.6
298.01077	0.7
299.01993	3.1
299.14813	0.4
301.03455	1.3
302.03860	0.4
303.04080	1.6
315.18304	2.7
316.02280	0.9
317.15817	0.5
317.19556	0.4
327.04364	0.4
333.19263	2.0
334.17706	0.3
347.20844	0.4
363.20355	3.5
364.18665	5.0
365.19022	0.5
435.22598	0.4
461.07077	0.8
461.20279	1.1
479.08932	7.5
479.21234	100.0
480.08374	0.9
480.21603	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	478.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	2.8
58.02971	6.0
58.99595	0.7
59.01380	13.3
61.98829	7.4
65.00294	0.8
66.03497	1.0
70.02984	0.8
70.91230	1.0
70.91576	1.1
71.01379	2.7
72.00904	1.0
73.02946	2.0
74.02475	13.7
78.95906	1.1
81.04587	1.3
82.02996	1.3
83.01407	1.5
85.02927	1.1
86.02483	5.6
86.06096	0.8
86.99114	0.7
87.05652	2.8
90.00224	1.2
95.06163	0.7
96.96005	4.2
97.04092	1.9
99.04518	1.8
99.05646	12.8
100.00368	0.8
100.04800	0.7
101.02454	1.6
101.07232	1.5
102.05613	1.9
107.01402	1.5
109.04073	1.4
110.02567	0.8
111.05655	0.8
112.04041	1.9
113.02477	1.0
113.03542	0.8
116.01774	0.8
120.01258	0.9
120.99656	2.4
123.05616	1.1
125.02463	1.8
125.03493	1.6
127.05154	2.2
128.03555	38.1
129.03917	1.0
129.99706	1.0
135.05632	2.8
137.07207	1.4
141.06714	3.0
143.04639	49.1
144.01259	0.7
144.05037	1.6
145.06229	1.9
146.04622	3.9
151.00439	4.2
152.00650	1.0
153.01938	0.8
153.06697	3.2
155.08234	0.9
160.00757	14.0
166.09857	2.1
167.04683	3.8
167.08275	1.6
169.01353	0.9
171.07753	1.3
174.05602	1.2
177.03415	5.1
178.99887	1.0
179.04602	10.2
181.06192	0.9
185.05667	1.9
192.07819	1.2
197.05693	1.6
198.08864	1.2
200.84480	0.7
210.08844	8.3
223.73109	0.6
242.07878	1.3
254.07835	10.4
272.08862	21.0
273.09311	1.4
288.06570	8.0
301.03568	3.8
301.63004	0.7
302.03888	5.8
304.06158	1.1
306.07651	100.0
307.07925	8.2
347.17316	0.7
390.18130	1.9
415.10516	1.9
434.17209	3.0
435.17673	1.2
460.21225	3.3
478.07339	1.3
478.16452	3.0
479.19363	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	478.2293
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82688	0.1
51.49868	0.2
54.06201	0.2
58.44508	0.1
59.01371	0.4
60.45081	0.2
61.98830	100.0
70.81616	0.3
71.01413	0.3
72.99326	0.3
74.74069	0.2
75.00871	0.2
78.95909	2.8
89.02474	0.2
96.96961	0.3
99.00876	0.2
112.98846	0.3
117.01978	0.7
142.99881	1.4
152.99640	0.8
171.00682	0.3
173.00945	0.9
174.01712	1.2
191.15558	0.2
209.19016	0.2
245.04323	0.3
251.20177	0.4
261.18655	0.3
265.18082	0.4
279.19788	0.4
281.25089	0.9
305.17654	0.5
323.18616	0.3
337.20187	0.7
383.20612	0.2
478.29309	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	478.2293
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	0.5
59.13969	0.2
61.98829	100.0
69.52215	1.9
72.99323	0.4
73.19302	0.2
75.00889	0.3
78.95913	3.2
89.02441	0.3
94.16285	0.3
96.96939	0.3
99.00983	0.2
117.01920	0.4
135.03094	0.3
137.33885	0.2
142.99886	1.5
152.99593	1.3
171.00720	0.8
173.00963	1.0
174.01732	1.1
209.19151	0.3
237.18477	0.3
239.95844	0.2
245.04414	0.6
251.20146	0.4
265.18091	0.3
279.19714	0.6
281.24826	1.6
305.17596	0.4
337.20477	0.5
355.21262	0.3
383.21173	0.3
478.29379	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	477.2254
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	3.5
61.98822	1.7
63.80377	0.4
64.06266	0.5
71.01402	0.5
71.66589	0.6
78.12785	0.5
78.95444	0.7
78.95907	11.7
82.13374	0.5
86.43281	0.6
96.96970	1.4
117.77570	0.5
130.40346	0.5
151.00372	1.5
152.99593	18.2
171.00674	1.8
178.99852	0.6
186.10303	0.6
199.38164	0.5
205.19608	1.4
209.96786	0.5
227.03326	3.7
231.17523	1.1
245.04228	2.3
247.16928	0.5
249.18578	100.0
250.18904	8.4
300.99783	2.8
301.03470	3.3
301.69104	0.5
323.26791	0.5
477.22577	39.3
478.22931	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	477.3068
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12000	1.0
52.17469	0.9
55.44036	0.9
59.01384	16.7
61.98842	6.1
62.95716	1.1
69.51359	4.0
69.51785	5.1
70.14936	1.2
71.01383	20.5
72.99314	1.3
73.02943	4.3
75.00886	2.5
85.02953	3.4
85.34667	1.0
86.76682	1.0
89.02461	5.2
95.01414	1.3
98.19932	2.2
99.00802	1.2
99.59850	1.0
101.02454	6.0
106.64899	1.0
113.02455	12.1
116.00906	1.1
119.03500	1.9
143.03537	1.0
151.00362	2.3
160.43120	1.0
161.04527	3.3
171.12585	1.1
183.96310	1.1
205.97784	1.0
239.23781	3.0
247.65315	1.1
251.23862	2.0
255.12355	1.3
255.23279	100.0
256.23538	9.5
265.25400	1.5
267.23291	5.7
269.24838	91.0
270.25168	11.8
279.23334	7.1
281.24918	1.6
297.24344	20.3
298.24585	2.5
301.00113	2.5
301.03528	8.8
302.03696	1.2
309.24371	3.3
313.23843	6.9
327.25296	2.8
329.46359	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.3067
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	18.9
61.98829	12.8
68.93990	1.5
71.01382	15.7
71.31223	2.6
73.02945	3.8
73.66325	1.8
75.00880	2.9
85.02946	2.6
89.02463	3.7
96.07081	1.6
96.10961	1.9
101.02459	6.4
113.02480	6.3
159.40709	1.8
191.72177	1.9
210.05978	1.7
221.23314	2.1
239.23816	3.1
255.23283	82.5
256.23709	6.1
267.23328	3.8
269.24844	100.0
270.25223	9.5
279.23236	10.3
297.24371	14.9
298.24832	2.6
300.99945	6.9
301.03464	5.6
313.23840	7.8
327.25574	3.0
462.78821	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	478.1568
Annotation	Unknow
Peak:m/z	Relative Intensity
58.56558	0.1
59.01378	1.7
61.98829	100.0
68.43324	0.2
71.01389	0.8
71.61005	0.2
72.99299	0.2
73.02953	0.4
78.89412	0.2
85.02986	0.2
87.00886	0.3
88.98809	0.8
89.02459	0.6
96.96030	0.4
99.00895	0.2
101.02487	0.5
113.02441	0.4
113.03631	0.2
116.92885	0.3
118.98077	0.2
123.04500	0.2
127.00376	0.3
128.03571	0.4
137.02386	0.2
143.04654	0.3
151.07724	0.2
161.04579	0.2
171.10309	0.3
177.01949	0.3
181.12308	0.3
189.00452	0.2
199.13412	0.6
254.07701	0.2
272.08878	0.3
299.99051	0.4
300.99442	0.7
315.01309	0.4
316.01904	0.5
316.12579	0.4
317.19751	0.3
478.07077	0.9
478.22821	0.6
479.06717	0.2
479.19940	0.2
479.24905	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54181	0.3
55.01882	0.3
57.03461	1.3
58.00602	0.5
59.01378	27.4
61.98831	9.5
61.99154	0.4
63.02402	0.5
65.00340	1.2
66.57727	0.4
69.03457	2.5
71.01385	8.5
71.05028	2.3
71.71596	0.3
72.99329	1.0
73.02960	2.6
74.02474	5.9
74.99126	0.4
75.00864	0.6
81.03448	0.4
83.01392	1.6
83.05039	0.6
85.02952	3.5
87.00912	1.2
88.98837	1.7
89.02457	4.5
93.03475	0.4
95.01373	0.7
96.96024	0.5
97.02977	0.6
97.06606	0.5
99.00903	1.2
99.92542	0.3
101.02451	6.8
101.72153	0.3
107.01414	1.8
109.02959	0.8
113.02460	3.4
118.98153	0.6
119.03512	0.8
121.02973	1.7
123.08171	0.9
124.98544	0.5
125.02468	0.6
125.09745	1.9
127.00429	0.7
128.03529	0.5
130.95927	0.4
133.02969	0.6
135.03113	0.5
135.51718	0.4
143.03502	0.3
149.02496	0.5
149.04521	0.4
151.00389	8.2
151.11287	1.3
153.01868	0.4
153.12854	2.4
159.04382	0.3
161.02463	1.1
161.04564	3.2
161.09738	2.4
163.00362	1.4
169.01379	0.5
175.02551	0.4
175.04051	0.3
178.99881	3.9
179.05641	0.9
179.10785	6.3
185.06033	0.4
185.11804	0.8
189.00430	0.7
191.05626	0.4
191.68692	0.3
197.11838	99.2
198.12195	6.8
199.13654	0.3
201.05565	0.4
202.06120	0.4
209.11760	0.4
209.64392	0.3
211.04025	0.4
223.09763	1.8
227.03433	0.5
235.08168	0.4
235.17049	0.6
241.10812	11.1
242.11206	0.9
243.02917	1.5
245.04630	0.6
253.09271	2.5
255.03018	1.2
255.16049	0.6
255.19568	0.7
269.17688	0.6
271.02490	1.3
271.10745	0.6
273.03934	1.0
283.02347	0.9
285.04047	0.7
299.01956	0.6
301.03534	27.2
302.03918	2.5
314.04358	1.4
315.14734	0.7
315.18021	2.7
417.24939	2.6
418.25006	0.4
433.20535	0.8
459.18710	0.7
477.06543	3.4
477.19617	100.0
478.19928	13.5
478.26428	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	477.2258
Annotation	Unknow
Peak:m/z	Relative Intensity
57.12474	0.4
59.01383	4.1
61.98832	4.2
63.76347	0.4
71.01374	0.6
71.72317	0.7
78.95910	28.6
83.05006	0.7
96.96984	2.2
98.91655	0.5
106.69630	0.5
127.91161	0.5
141.09302	0.5
150.98109	0.6
151.00378	1.2
152.99606	41.7
166.68193	0.4
171.00620	2.2
178.99883	0.6
205.19662	0.9
227.03270	6.1
231.17523	1.0
245.04308	2.0
247.17146	0.7
249.18579	100.0
250.18921	9.7
251.20193	0.8
252.20477	0.7
296.66959	0.5
300.99896	2.4
301.03543	3.9
301.99710	0.5
385.17816	1.3
477.22562	75.6
478.22891	9.7
493.16022	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1039
Annotation	Tamarixetin 7-glucoside
Peak:m/z	Relative Intensity
59.01374	9.0
61.98826	3.8
62.76873	0.4
63.02396	0.6
65.00296	1.4
71.01376	2.4
71.71407	0.8
72.99295	0.8
73.02919	1.5
74.99097	0.4
83.01357	1.2
85.02925	1.5
87.00871	0.6
89.02419	1.2
91.01863	0.4
93.03405	0.8
95.01369	0.6
96.95982	1.3
97.02977	1.1
99.00874	0.7
101.02416	1.3
107.01358	1.5
109.02966	3.3
113.02428	1.3
115.58985	0.4
120.99623	0.5
121.02972	6.1
139.03929	0.5
142.83229	0.5
147.00922	0.7
149.02473	0.8
151.00392	5.6
161.04536	1.0
163.00310	1.6
165.01935	13.6
166.02161	0.6
168.99101	0.5
171.04504	0.7
175.03946	0.6
178.99893	3.1
183.02936	0.8
183.04463	0.7
187.04001	0.6
189.00310	0.5
193.01425	3.8
199.04012	3.6
199.13365	1.3
201.01944	0.5
203.03569	0.5
211.03972	0.7
215.03445	1.9
226.02647	1.6
227.03481	3.5
228.04112	1.1
237.62314	0.5
243.02959	7.1
244.03435	0.8
254.02185	2.6
255.02946	3.6
256.03497	1.0
257.04337	0.7
262.47836	0.5
269.04471	2.4
270.01697	1.1
271.02451	70.9
272.02832	6.8
273.16965	0.9
285.04004	2.6
287.01962	2.4
287.05380	1.1
297.03900	0.5
299.01956	98.3
299.65405	0.5
300.02518	17.2
300.99811	1.2
301.03461	19.6
301.06903	1.1
302.03809	1.7
314.04306	94.0
315.05020	69.3
316.01962	0.6
316.05408	6.2
330.03668	3.6
331.04398	1.0
357.06210	1.0
417.25003	1.3
476.32126	0.8
477.10431	100.0
478.10785	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	476.2782
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82543	0.2
59.01367	0.6
61.98820	0.4
62.96428	0.2
67.23529	0.3
69.51881	2.4
76.85343	0.2
78.95907	31.6
81.12380	0.3
95.49265	0.2
96.96963	0.8
120.89310	0.2
122.00137	1.1
140.01199	6.3
152.99619	3.7
171.00655	1.5
196.03802	9.7
197.04135	0.4
214.04881	2.3
261.22150	0.7
279.23273	100.0
280.23605	12.1
306.74005	0.2
418.55756	0.2
458.14444	0.3
476.27817	43.1
477.28079	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	476.2783
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01360	0.2
65.69849	0.2
69.40009	1.5
71.86644	0.2
78.95908	9.4
83.20380	0.2
87.79356	0.2
96.96963	0.4
98.20688	0.2
99.19586	0.2
131.29910	0.2
140.01202	2.0
152.99625	0.9
162.75082	0.1
171.00671	0.7
172.26367	0.2
173.29669	0.1
183.14023	0.2
196.03839	0.9
200.46375	0.2
202.03517	0.2
214.04866	2.9
259.42044	0.2
261.22232	0.5
279.23279	100.0
280.23627	11.4
476.27823	14.9
477.28104	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	476.2436
Annotation	Cytochalasin A
Peak:m/z	Relative Intensity
57.03438	0.7
58.02976	14.9
59.01380	4.9
61.98832	6.5
66.03497	1.5
69.82465	1.2
69.82872	4.4
70.02982	0.7
71.01382	2.3
72.00921	1.6
74.02476	30.9
78.96039	0.8
81.04594	2.0
82.02975	4.9
84.04551	1.1
85.02966	1.2
86.02480	12.2
86.06129	2.5
87.05646	6.0
88.04055	1.0
95.02518	0.9
96.04554	1.1
96.96024	2.2
97.04083	4.0
99.05647	27.8
100.04051	0.9
101.07223	5.8
102.05632	6.0
107.01373	0.8
107.06203	1.9
108.04572	0.8
109.04085	4.5
109.07716	1.6
110.02502	0.9
111.05672	2.3
112.04013	3.4
113.07186	0.7
116.92946	0.8
121.02979	1.0
123.05666	3.3
124.04042	1.5
124.07697	1.2
125.03593	4.1
127.05147	5.3
128.03557	77.6
129.03903	1.7
130.79756	0.7
135.05655	10.3
137.07243	1.5
139.05177	0.8
141.06734	5.2
143.04639	95.8
144.05000	2.7
145.06226	3.9
146.04604	10.5
149.07220	1.5
151.00325	1.9
153.06714	6.8
155.08212	1.5
157.10574	2.2
166.09857	4.0
167.04613	4.0
167.08221	8.0
170.03322	2.6
171.04117	2.8
176.52129	1.1
179.03041	1.2
179.04626	25.7
180.04886	0.8
181.06223	3.8
184.10902	1.5
185.05690	3.0
192.07771	3.2
197.05681	4.4
203.14738	12.3
210.08844	21.9
211.09163	1.1
228.09912	0.9
254.07820	53.5
255.08131	3.2
272.08850	64.5
273.09171	4.7
300.99933	1.9
301.03500	5.1
308.07510	0.7
347.20050	6.6
391.10666	1.0
439.98517	1.5
458.23364	12.8
459.23691	1.9
461.00253	0.9
476.24319	100.0
477.06494	0.8
477.24551	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	476.2436
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54813	0.7
58.02977	12.0
59.01381	7.2
61.98830	5.1
66.03485	1.2
66.31874	0.8
71.01380	1.5
71.09776	1.7
72.00913	1.4
72.99339	0.8
74.02477	27.5
81.04590	1.3
82.03000	3.6
84.04549	1.7
85.04081	0.8
85.89582	0.6
86.02486	10.7
86.06127	2.2
87.05641	5.3
96.04564	0.8
96.96033	4.2
97.04063	3.4
99.05049	1.4
99.05660	23.9
101.07204	3.3
102.05606	5.3
107.06154	1.6
108.04514	0.9
109.04116	4.6
109.07731	0.8
109.70650	0.7
111.05653	2.7
112.04060	2.7
116.92915	1.8
121.03024	1.7
123.05671	1.8
124.04056	0.9
124.07729	1.4
125.03579	5.6
126.02034	0.9
126.04488	0.8
127.05112	5.6
128.03555	72.7
129.03912	1.4
135.05653	7.8
137.07243	1.4
141.06691	3.5
143.04643	95.2
144.05016	2.0
145.06177	4.3
146.04607	10.9
148.14192	0.7
149.07188	1.3
151.00452	1.3
153.06721	5.8
155.08321	0.9
157.10571	1.7
166.09860	4.6
167.04639	4.4
167.08275	8.9
170.03355	2.4
171.04100	2.1
178.99805	1.1
179.04646	23.0
180.04997	1.2
181.06166	3.2
185.05711	2.8
192.07785	2.9
197.05678	4.6
203.14763	10.6
210.08853	19.6
211.09077	0.8
228.09947	0.9
254.07811	48.2
255.08089	2.6
272.08865	61.9
273.09155	4.0
290.17862	0.9
300.99908	2.5
301.03534	6.6
347.19977	5.7
348.20465	1.4
391.10617	1.4
402.51260	0.8
416.23447	0.9
423.66229	0.8
458.23212	13.0
459.23627	1.0
476.24319	100.0
477.24582	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	476.1409
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	24.9
59.01378	27.9
60.55763	0.8
61.98829	100.0
71.01392	3.8
71.57085	1.3
73.02937	1.7
82.66365	0.7
83.01397	1.7
85.02961	3.0
99.00889	1.1
99.04527	28.3
101.02448	10.1
104.92094	0.8
107.01379	1.2
109.02969	0.8
113.02448	3.0
121.03027	1.2
121.86275	0.8
125.02467	9.0
127.74447	0.7
130.37753	0.8
143.03516	2.9
150.06931	0.9
151.00432	5.6
152.52203	0.8
161.04576	3.3
178.99883	2.4
193.05049	1.0
255.02879	1.6
269.10275	5.7
301.03546	18.3
311.11227	3.9
351.14572	2.0
413.14493	16.7
414.14792	1.1
451.04816	0.8
477.06790	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	476.1774
Annotation	Unknow
Peak:m/z	Relative Intensity
54.44283	0.7
57.03441	1.2
59.01380	25.7
61.98831	100.0
71.01389	6.3
71.72221	1.1
72.99312	0.8
73.02953	2.4
74.99105	0.6
75.00869	1.0
80.02695	1.2
83.01394	1.6
83.52728	0.7
85.02968	2.1
86.23648	0.5
87.00900	2.7
89.02460	4.9
93.03493	1.3
95.01428	0.9
96.96008	5.5
99.00941	1.4
99.04559	1.5
101.02473	4.0
102.05636	0.8
104.10323	0.6
111.16136	0.6
113.02477	2.2
116.92928	0.6
119.03518	1.4
120.99673	1.6
121.02988	0.6
121.06624	0.9
125.09717	0.5
127.00414	1.7
128.03485	0.8
137.02402	1.0
140.17046	0.5
146.04607	1.3
151.00388	2.3
153.12892	2.2
161.04581	2.4
178.99942	1.2
179.05649	4.4
181.08739	10.8
189.00558	0.9
189.12891	6.8
207.13931	2.4
207.17668	0.8
209.15535	1.4
217.15999	1.4
226.07399	0.8
233.11838	0.8
235.17142	0.9
237.14877	1.0
239.88359	0.6
241.09875	1.9
251.12906	11.8
252.13228	1.3
253.09349	0.9
253.18173	4.8
254.43425	0.6
255.07811	0.8
255.16020	8.6
271.10944	2.0
279.16052	1.0
297.17102	2.3
301.00128	1.2
301.03445	6.9
303.16071	0.6
315.09967	1.6
315.18158	4.9
315.21399	1.1
357.11002	0.8
413.18182	27.3
414.18655	3.1
417.21375	1.9
459.22287	1.2
476.22318	0.8
477.10660	3.3
477.23190	40.2
484.34045	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2546
Annotation	Unknow
Peak:m/z	Relative Intensity
53.61525	0.3
57.03456	0.5
58.03003	0.3
59.01379	100.0
60.01720	1.3
60.03119	0.3
61.98833	4.2
70.14848	0.9
70.85992	0.3
71.01384	2.6
72.99320	0.5
73.02964	1.2
75.00900	0.3
78.95882	0.3
79.95745	0.3
83.01402	0.9
85.02971	1.1
87.00871	0.6
89.02428	1.8
92.93005	0.3
93.03479	0.5
96.96001	2.6
97.26978	0.3
99.00903	0.9
101.02453	2.8
103.00414	0.3
109.02995	0.3
113.02470	1.6
113.09735	0.6
118.98148	1.2
119.03526	0.4
120.99707	0.5
125.02473	0.3
127.00429	0.7
128.03580	0.7
135.04549	0.5
137.02509	0.3
143.04671	0.5
161.04564	0.8
165.10353	0.3
179.03383	0.3
189.00476	0.8
191.05617	1.9
211.13499	0.4
235.13480	0.7
251.21346	0.4
259.53262	0.3
271.02432	0.8
272.08945	0.8
299.01865	1.4
327.21832	0.4
355.21497	0.9
373.22342	3.8
378.72162	0.3
389.09048	1.5
390.09543	0.4
412.18201	0.4
415.23334	4.5
416.24176	0.7
431.10373	0.9
431.22998	0.4
441.09332	0.3
441.16248	0.4
475.09644	0.3
475.17062	0.6
475.23468	0.4
475.28055	1.0
476.25089	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2909
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90342	1.6
58.00600	4.1
59.01380	83.3
61.98833	24.4
65.75876	1.7
71.01387	88.9
72.99300	3.3
73.02943	1.8
78.95918	20.5
85.02952	7.8
86.50587	1.6
87.00861	4.7
89.02456	100.0
95.01389	3.7
98.20611	3.5
101.02459	26.2
105.61826	1.6
113.02466	19.1
119.03504	13.4
121.02998	1.8
131.03513	4.2
137.04501	1.9
140.01213	2.0
143.03488	6.3
145.02975	2.7
149.04634	3.5
152.99564	4.1
161.04555	7.7
161.45123	1.7
171.00681	2.6
171.10323	14.5
179.05623	31.0
181.86134	1.6
189.83559	1.7
196.03728	2.0
260.22549	1.9
277.21774	22.2
279.20389	3.2
279.23297	40.2
295.22800	63.8
296.23120	5.9
328.61371	2.0
475.26645	5.1
476.27789	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	475.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	0.3
59.01377	100.0
60.01711	1.4
61.98835	0.8
71.01393	1.0
71.69807	0.3
73.02965	0.3
74.99119	0.4
75.54160	0.2
83.01417	0.4
84.43584	0.2
85.02971	0.3
87.00861	0.2
93.03510	0.2
96.96043	0.6
101.02494	0.6
103.73173	0.2
106.23655	0.2
113.02485	0.4
116.92881	0.3
118.98093	2.3
120.99648	0.2
121.02979	0.2
143.33801	0.2
161.04622	0.3
175.12021	0.2
191.05637	0.4
243.02907	0.2
271.02393	0.2
277.14349	0.4
299.02087	0.7
385.74167	0.2
389.08942	0.2
415.23282	0.2
435.27750	0.2
475.27478	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	47.8
58.00577	0.5
58.03786	0.7
59.01380	100.0
60.01713	1.1
61.92561	0.4
61.98827	3.9
69.04089	0.4
71.01385	13.2
71.61406	0.6
72.99328	0.7
73.02954	6.7
73.52563	0.4
75.00880	0.6
79.95768	0.5
81.03466	0.7
83.01389	2.3
85.02948	2.3
87.00909	1.3
88.98848	2.2
89.02451	11.8
95.01428	1.0
96.96021	6.5
99.00922	0.6
99.04530	44.0
100.04890	1.2
101.02454	21.7
101.63464	0.5
103.00391	0.7
113.02467	6.5
113.06126	0.6
115.00397	0.9
116.92850	0.5
119.03510	4.9
120.99662	2.0
123.04542	2.3
125.02462	15.2
125.03348	0.8
131.03584	0.9
143.03514	2.9
145.03014	0.5
149.04634	1.5
153.05659	0.5
161.04567	4.2
175.02484	0.7
179.05646	4.0
189.00420	0.7
234.27907	0.4
253.14626	0.6
256.99692	0.5
283.21021	0.4
299.01959	0.8
313.16672	0.7
331.17603	2.1
342.99713	0.7
373.18924	1.4
415.23413	2.1
475.21844	6.9
475.27686	0.4
496.70660	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.6
58.00570	0.2
59.01377	100.0
59.37228	0.2
60.01719	1.0
61.98831	1.7
65.08894	0.2
69.31133	1.4
69.31568	0.9
71.01388	4.4
71.01784	0.3
72.99314	0.4
73.02955	1.9
83.01399	0.9
85.02947	1.3
87.00900	0.7
89.02440	2.2
89.02860	0.2
96.96037	0.7
99.00883	0.3
99.04523	0.5
99.05721	0.2
99.80074	0.2
101.02457	3.7
102.02805	0.4
113.02483	1.7
116.92889	0.3
118.98099	0.6
119.03560	1.1
120.99665	1.9
121.03011	0.3
125.03567	0.3
127.00377	0.4
131.03555	0.2
137.02499	0.3
143.03537	0.4
151.00482	0.5
160.01755	0.3
160.72638	0.2
161.04564	2.0
167.72824	0.2
169.99609	0.2
175.04070	0.4
175.67320	0.2
179.05640	0.6
191.05730	0.4
225.05043	0.6
243.03041	0.4
253.04660	0.9
253.14647	0.3
255.03099	1.0
271.02460	1.4
272.02835	0.3
299.02042	0.5
299.90921	0.2
300.02740	2.6
301.03537	2.0
345.19284	0.5
355.17691	0.3
359.47229	0.3
373.18686	1.8
415.18884	2.2
415.23859	0.8
475.08310	1.4
475.27524	0.3
476.27432	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90755	0.3
57.03443	1.9
58.00590	0.4
59.01377	100.0
60.01720	0.9
61.98820	3.3
69.03442	0.6
71.01382	8.6
71.04448	0.8
71.04782	0.4
72.99325	0.5
73.02953	4.5
83.01384	1.9
85.02950	2.4
87.00902	1.0
89.02444	4.2
89.02858	0.4
91.01955	0.3
96.96030	1.3
97.02995	0.3
99.00854	0.7
99.04543	1.0
101.02457	6.0
108.64960	0.3
111.04542	0.5
113.02475	2.6
114.02826	0.4
115.07700	0.9
118.98130	0.6
119.03502	1.6
119.63574	0.3
120.99667	2.8
125.02475	0.6
125.06100	0.5
131.03506	0.5
143.03516	1.0
147.11772	1.1
161.04575	2.7
176.09872	0.4
179.05629	1.0
191.10812	0.8
209.79073	0.4
253.85287	0.4
255.02945	0.5
271.02570	0.8
299.01962	0.5
300.02789	0.6
303.47055	0.4
311.07816	0.5
345.19080	2.3
355.17566	0.5
365.06296	0.4
373.18805	1.9
415.19064	0.7
415.24008	2.6
431.19110	1.9
475.09409	0.7
475.16269	0.3
475.23276	3.1
475.30600	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.182
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.8
57.03440	2.2
58.00586	0.7
59.01379	100.0
60.01710	1.5
61.98826	2.3
69.03486	0.8
70.20412	1.7
71.01385	32.9
72.01741	0.6
72.99316	1.9
73.02950	24.4
74.03287	0.8
75.00880	0.5
81.03486	0.8
83.01395	7.8
84.41425	0.5
85.02960	8.4
86.00137	0.4
87.00895	3.0
89.02454	9.8
95.01412	1.8
96.96032	0.7
97.02908	0.9
99.00879	3.1
99.04571	0.8
101.02456	27.5
101.65353	0.5
102.02816	0.8
105.74851	0.4
111.04539	0.6
113.02469	10.5
114.02841	0.8
115.07673	3.8
116.07991	1.1
118.98118	0.5
119.03512	3.3
120.99673	1.8
122.92253	0.5
125.02480	1.6
125.06065	0.5
127.00398	0.5
131.03554	1.2
141.01921	0.5
143.03514	2.0
147.11826	11.9
148.12181	0.9
149.04590	1.5
159.03064	0.8
161.04575	8.7
162.04929	0.5
165.12859	0.9
179.05667	1.3
181.12260	0.6
183.13889	4.2
189.00513	0.6
191.10805	8.4
192.11180	0.6
201.65092	0.5
203.05684	0.5
209.11874	2.0
255.16051	0.8
327.18225	1.9
345.19174	18.7
346.19608	1.9
369.08496	0.6
372.26056	0.5
377.16565	1.0
387.20441	1.3
389.18393	1.7
415.23557	0.9
431.19208	28.6
432.19534	4.3
475.23758	8.2
475.29819	0.8
487.85043	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1824
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40700	0.4
56.81236	0.3
59.01382	16.8
60.99308	14.5
61.98841	0.7
66.99755	0.3
71.01385	1.7
71.69537	0.4
73.02927	0.5
73.66224	0.3
77.09490	0.3
83.01349	0.3
85.02958	0.5
87.00892	1.1
88.00415	1.1
88.98819	100.0
89.02452	13.0
89.99163	1.3
90.04041	0.3
96.69376	0.3
96.96027	1.0
99.01491	0.4
101.02447	1.1
113.02477	0.5
116.92870	1.4
117.92861	0.5
118.92718	1.0
120.71937	0.3
163.93657	0.3
210.03665	0.3
225.06009	0.4
227.12885	1.4
260.66125	0.4
310.09177	0.3
319.49530	0.4
371.17130	0.5
389.18317	0.9
431.19345	1.1
452.82327	0.3
475.22113	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	56.0
61.98830	5.7
71.01384	5.7
71.41260	1.8
72.99319	1.5
85.02959	2.3
86.58526	1.0
87.00890	3.7
88.98804	7.0
89.02432	4.8
89.96889	1.0
96.96023	2.7
99.00844	1.0
101.02462	3.8
113.02478	2.3
125.06078	1.3
128.03517	1.1
131.04520	1.0
133.01408	2.6
135.04468	1.1
137.72760	1.0
146.03752	29.2
146.83588	1.1
147.04112	0.9
161.04642	2.6
161.06082	11.3
164.04805	19.4
165.05113	1.4
176.01086	1.7
177.01945	21.5
177.57945	1.1
178.02341	1.6
178.68532	1.0
179.07149	100.0
180.07530	7.1
214.84491	1.1
215.71358	1.0
235.04247	1.1
240.04457	2.1
267.02856	2.8
278.84390	1.2
285.03989	7.5
313.03363	1.6
339.07236	8.3
415.15317	2.4
475.08557	9.4
476.09122	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1304
Annotation	Unknow
Peak:m/z	Relative Intensity
54.74297	0.6
59.01372	2.4
69.72145	3.3
71.01386	15.3
72.99316	3.5
87.00885	1.0
88.04029	1.5
89.02437	3.7
92.90803	0.6
98.19907	1.0
101.02448	1.4
114.01970	0.7
115.00391	41.2
116.00713	1.2
119.03527	0.6
131.04659	1.1
132.03052	6.4
132.94658	5.1
133.01450	100.0
133.03448	2.1
133.05083	10.3
134.01781	2.3
339.30637	0.6
341.10776	4.1
377.08694	4.8
378.09177	0.9
415.04306	1.3
415.14914	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1304
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	4.9
60.72348	0.6
61.98826	2.5
70.18309	2.9
71.01390	14.8
72.99314	3.3
76.76170	0.7
78.26545	0.6
85.02934	0.8
87.00901	1.0
89.02465	7.6
91.50234	0.7
94.40968	0.7
96.37331	0.7
98.20062	0.7
99.85795	0.7
101.02444	1.8
113.02467	1.5
115.00390	35.7
116.00726	1.6
119.03551	1.0
132.03072	3.2
132.94662	15.5
132.95634	1.2
133.01450	100.0
133.05083	10.8
133.75247	0.6
134.01830	1.7
177.66187	0.7
179.05634	1.0
293.36966	0.8
341.10886	11.9
342.11029	0.8
377.08530	13.3
415.04135	2.4
416.04395	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.182
Annotation	Unknow
Peak:m/z	Relative Intensity
55.82630	0.3
57.03475	0.3
59.01378	40.6
60.01711	0.4
61.98832	1.9
69.76716	1.2
69.77124	0.6
71.01387	1.7
73.02969	0.7
75.00903	0.4
77.75569	0.3
80.42241	0.2
85.02981	0.9
88.98808	0.9
89.02464	1.1
96.96008	0.9
99.00884	0.3
101.02454	1.6
109.03010	0.3
113.02464	0.8
116.92857	0.3
119.03495	0.5
121.03005	0.2
133.01447	0.4
133.05128	0.2
135.04544	0.9
145.03003	0.7
146.03752	31.6
147.04071	1.4
149.06068	0.3
161.04625	1.7
161.06081	11.2
162.06470	0.7
163.04054	1.2
164.04811	22.1
165.05135	1.1
177.01982	0.3
179.07152	100.0
180.07486	5.8
205.49326	0.3
255.44884	0.3
271.73691	0.3
272.78629	0.3
285.03909	0.7
298.88852	0.2
313.03555	0.4
336.46078	0.3
415.15942	1.8
416.16559	0.3
475.08887	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.2344
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52153	0.2
59.01373	1.5
61.98831	100.0
62.05299	0.2
62.98541	0.3
65.94849	0.2
68.19751	0.2
71.20045	0.4
76.17869	0.2
78.95922	1.0
96.25691	0.2
102.62974	0.3
113.26948	0.2
134.04770	0.8
138.01949	0.3
277.21744	0.7
293.21362	0.4
299.01959	0.2
320.32318	0.3
444.27853	0.3
474.26050	0.3
475.27081	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.2345
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85474	0.3
59.01378	1.2
61.98829	100.0
78.95909	18.6
90.89388	0.3
93.91113	0.3
96.96971	1.6
98.20683	0.5
106.30750	0.2
115.11361	0.3
117.03468	0.3
119.05034	0.3
134.04723	0.4
145.02939	1.5
152.99591	3.3
171.00659	3.7
181.07196	0.4
206.41304	0.3
244.32306	0.2
248.20354	0.3
277.21759	4.0
278.22104	0.4
400.22629	0.4
443.95584	0.2
474.26245	11.8
475.26706	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	474.2623
Annotation	Unknow
Peak:m/z	Relative Intensity
56.91679	0.2
59.01374	2.3
61.98831	35.3
62.96416	0.4
68.77219	0.3
77.09158	0.2
78.95909	38.2
83.05019	0.3
96.96967	1.7
122.00146	1.4
122.98575	0.3
127.07607	0.2
134.98540	0.3
140.01205	7.0
152.99599	4.3
171.00671	2.8
196.03809	13.3
197.04207	0.5
214.04898	3.3
233.22621	0.3
259.20621	0.5
263.82578	0.3
275.20145	0.6
277.21722	100.0
278.18945	0.5
278.22064	11.2
474.26260	44.8
475.26572	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	474.2624
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00949	0.1
55.43319	0.1
59.01374	1.6
61.98829	1.1
70.89721	0.2
70.90070	0.2
71.01384	0.4
76.52808	0.1
78.95908	11.2
83.05023	0.2
96.96971	0.4
97.06628	0.2
106.83357	0.1
113.64892	0.1
122.00111	0.3
127.07667	0.2
134.04744	0.3
140.01193	2.4
152.99599	1.7
162.83881	0.2
171.00667	1.0
174.01799	0.2
196.03806	1.6
205.19630	0.1
214.04866	3.7
223.16051	0.1
233.22679	0.4
259.20569	0.5
260.21002	0.2
265.65396	0.1
275.20154	0.2
277.21704	100.0
278.22055	11.5
438.08640	0.2
474.26227	15.3
475.26645	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	474.2347
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	1.0
59.75227	0.3
61.98830	100.0
66.49480	0.2
70.50899	0.9
78.95910	9.6
96.95993	0.2
96.96990	0.6
140.01204	0.8
152.99597	1.5
171.00616	1.7
195.75394	0.3
196.03902	0.4
196.24532	0.3
214.04808	1.2
241.14819	0.3
277.21716	39.9
278.22092	4.0
328.13626	0.3
362.94940	0.3
463.10147	0.3
474.26208	9.0
475.26651	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	474.2346
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78233	0.2
58.04982	0.2
58.32785	0.2
59.01374	1.2
59.16061	0.2
61.98830	100.0
70.51554	0.9
78.95908	7.9
97.53827	0.2
112.00466	0.6
114.02062	0.2
122.00123	0.3
122.11347	0.2
134.04761	0.5
139.80733	0.3
140.01228	1.7
152.98123	0.2
152.99628	0.7
171.00664	0.3
171.13020	0.2
174.04137	0.3
184.62752	0.2
196.03824	3.4
197.04196	0.2
214.04924	0.8
216.05235	0.4
243.46300	0.2
277.21713	25.1
278.21988	2.6
297.24405	0.3
298.55426	0.2
313.48874	0.2
321.32687	0.3
329.63403	0.2
439.19479	0.2
474.26318	10.1
475.26648	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	473.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.1
57.03435	2.4
59.01376	100.0
61.98832	8.0
69.03457	1.1
69.81422	1.6
69.81835	4.7
71.01385	27.4
71.48232	0.9
72.99319	1.6
73.02959	10.2
75.00870	0.9
79.95735	1.0
80.16932	0.8
83.01382	3.2
85.02955	9.0
87.00869	2.7
89.02450	14.3
95.01410	1.8
96.96015	14.7
97.02922	1.0
98.95597	1.7
99.00930	1.1
101.02454	19.8
113.02473	10.0
118.65788	0.8
119.03490	7.2
135.04523	1.2
137.21593	1.0
143.03499	2.4
147.06693	0.9
152.08449	1.3
161.04555	3.3
193.05020	2.7
194.11768	1.5
197.15488	1.2
207.13914	2.4
209.11575	1.4
225.14940	8.3
230.64856	0.9
233.08075	0.9
235.38872	0.8
251.12962	1.2
276.49380	0.9
356.52814	0.9
357.00116	0.9
369.19165	31.7
370.19458	3.5
380.92624	1.0
387.01691	1.6
387.13156	9.9
387.20160	40.4
387.48785	0.9
388.20667	4.2
413.14456	2.8
413.21710	1.7
429.14197	7.1
429.21173	23.9
430.21512	2.6
455.16675	2.1
473.12637	1.5
473.16794	1.5
473.28195	4.1
474.19891	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	473.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	2.9
58.00605	0.9
59.01379	100.0
60.01713	0.8
61.98833	6.4
69.03469	1.3
70.89497	1.8
71.01385	33.4
71.05025	0.6
72.01765	0.6
72.99319	1.8
73.02949	37.8
74.03293	0.6
75.00909	1.0
78.95919	0.6
79.95772	0.6
80.96545	0.8
81.03458	1.0
83.01391	11.1
83.05061	0.5
85.02959	4.8
87.00894	1.8
89.02453	8.2
91.05563	0.6
95.01408	1.4
96.96017	15.0
96.96613	0.8
97.02943	0.6
99.00900	1.4
99.04533	0.7
101.02451	38.2
102.02807	1.2
113.02464	14.1
114.02797	0.6
115.00398	0.6
117.01897	0.4
118.98129	2.2
119.03500	4.4
121.02961	3.9
125.02483	2.2
131.03500	4.0
134.91653	1.7
135.04558	2.1
143.03473	3.5
147.03049	0.6
149.04607	4.0
149.09767	0.8
155.03561	0.9
161.04572	9.9
165.05579	3.4
166.05959	1.8
167.03528	2.0
167.06238	1.1
171.85622	0.5
179.05748	0.7
189.00522	0.7
191.05666	0.6
203.05647	0.7
209.11839	0.6
221.06737	1.4
251.12975	0.7
266.31155	0.6
295.10583	1.2
387.01770	1.5
387.13324	9.9
388.13690	1.0
393.09937	0.7
413.22015	1.6
429.08969	1.0
429.14377	9.0
429.20630	0.8
430.15030	1.1
431.22873	0.8
455.17303	0.9
473.12732	3.5
473.29483	1.0
474.31189	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	0.4
57.76007	0.2
59.01377	100.0
59.99414	0.1
60.01717	1.3
61.98829	2.9
69.69234	1.2
71.01382	2.5
73.02951	0.8
78.95903	0.2
83.01410	0.3
85.02977	1.2
87.00883	0.3
88.98824	0.2
89.02467	1.0
95.01441	0.2
96.96027	2.0
96.96999	0.5
99.00919	0.5
101.02470	1.9
102.98639	0.4
111.04552	0.4
113.02456	1.0
115.07659	0.7
118.98136	0.2
119.03522	0.3
125.02460	0.2
127.00388	0.1
157.19016	0.2
158.11917	0.5
159.03052	0.2
161.04573	0.5
173.79106	0.1
209.15543	0.4
225.94887	0.2
269.08252	0.2
279.39059	0.2
283.04865	0.2
353.19720	1.6
354.20230	0.2
371.20715	1.3
372.21136	0.2
376.16296	0.3
387.13547	1.2
413.21936	1.8
414.22144	0.2
429.14359	0.8
473.13611	0.6
473.20139	0.3
474.13953	0.2
474.15906	0.2
474.23410	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2755
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05306	0.8
57.03453	0.9
58.00591	3.5
59.01066	1.1
59.01379	52.1
61.98830	100.0
71.01385	59.2
71.01711	0.6
71.05037	2.5
72.99306	1.9
73.02938	1.2
78.95904	2.5
82.16000	0.8
83.01385	1.7
85.02953	3.9
87.00883	2.3
89.02450	66.0
95.01398	2.2
101.02457	16.3
113.02468	13.6
119.03526	9.1
121.10227	3.7
125.02432	0.8
131.03516	3.6
134.04694	2.7
143.03514	4.5
149.04572	2.1
152.52339	0.8
161.04594	5.4
171.10301	8.8
179.05620	20.9
179.07195	1.0
185.11903	0.8
214.04692	1.1
214.10028	0.8
231.21271	1.0
275.20154	20.6
276.20425	2.2
277.21686	2.6
282.48340	0.9
293.21213	24.7
294.21527	2.7
318.51239	0.9
327.14813	0.9
410.12915	1.6
471.05179	1.0
473.36304	4.1
474.21274	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	473.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.7
57.03448	2.5
59.01380	100.0
60.01712	1.3
61.98825	5.4
69.31176	8.8
71.01384	30.5
72.00887	0.8
72.99322	2.5
73.02953	10.1
74.02477	1.6
75.00883	2.4
78.95901	1.4
83.01406	3.4
83.30106	0.8
85.02955	9.2
87.00871	4.5
89.02444	13.0
95.01411	2.8
96.00906	0.8
96.96018	1.4
97.02954	1.1
98.95644	1.3
99.00897	3.7
99.04535	1.4
101.02451	17.9
104.03557	3.2
106.39646	0.8
111.00934	1.0
113.02470	14.8
119.03517	4.4
125.02464	1.7
128.03574	2.8
130.08757	1.1
134.03761	0.9
135.08134	1.1
140.39111	0.9
143.03525	1.9
149.04585	1.6
159.03024	2.4
161.02473	4.8
161.04539	6.2
163.11356	1.3
175.03998	1.0
179.05641	2.0
179.07191	1.0
191.05646	3.9
193.05080	3.2
195.13919	1.5
225.14941	1.8
251.09349	1.8
251.12952	1.8
269.10217	2.6
311.11218	1.4
369.19244	14.6
370.19720	1.4
387.12180	1.0
387.20200	12.4
388.20441	1.6
429.21259	3.3
431.15533	11.3
473.10675	1.1
473.16556	10.6
474.19882	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	472.1094
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44709	0.4
59.01378	4.7
60.01704	0.3
61.98829	100.0
62.77489	0.3
62.98528	0.5
66.59412	0.3
69.54782	1.4
69.55207	1.1
71.01390	1.3
73.02958	0.8
74.01714	0.4
78.95941	0.4
89.45397	0.3
96.96041	0.9
98.20682	0.7
99.04346	0.3
100.94969	0.3
101.02480	1.0
102.22798	0.3
113.02486	0.5
138.06876	0.7
152.08435	0.8
153.09238	2.7
154.09604	0.9
161.04536	0.5
205.12349	0.4
206.12772	0.6
246.96263	0.4
329.38586	0.4
368.18503	0.4
428.13446	0.6
472.17081	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.2035
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87422	0.5
57.03458	0.6
58.00596	1.3
59.01378	39.4
66.10888	0.4
71.01384	32.2
71.63831	0.4
71.64256	0.7
72.01694	0.7
72.99309	1.5
73.02953	0.9
79.22177	0.4
83.01380	0.8
85.02961	3.9
87.00866	1.6
89.02450	43.9
90.02788	0.6
95.01390	1.6
99.00884	0.6
101.02447	17.2
102.02800	0.5
105.43640	0.5
113.02462	13.6
118.56738	0.4
119.03514	15.2
119.04356	0.9
120.03840	0.7
130.08755	45.3
131.03519	2.6
131.04558	1.0
131.09071	1.4
132.32909	0.5
143.02475	0.5
143.03462	2.4
149.04565	1.4
161.04590	3.9
162.05122	0.5
179.05626	20.7
258.52081	0.5
341.10886	100.0
342.11270	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	472.2317
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	1.5
61.98833	8.8
69.08481	1.2
69.51409	6.8
69.51826	3.0
71.63388	1.1
78.95909	64.2
96.96986	5.2
108.10070	1.1
110.70602	1.1
134.04739	5.3
150.98080	1.6
152.99599	100.0
171.00624	2.4
193.73656	1.4
255.23335	2.4
279.72076	1.2
359.62033	1.3
409.23584	53.0
410.24020	6.2
471.34741	2.4
472.30435	3.8
472.35403	3.9
473.01794	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1666
Annotation	Unknow
Peak:m/z	Relative Intensity
55.22378	0.7
57.03457	2.4
59.01379	100.0
60.01705	1.0
61.98826	5.8
69.18904	0.7
71.01389	8.0
73.02954	13.9
74.47876	0.7
74.99120	0.8
83.01419	3.4
85.02962	2.7
87.00874	0.7
87.04549	0.9
89.02457	2.6
95.05061	2.2
96.96034	7.5
99.00911	1.1
99.04533	0.9
99.92578	0.9
101.02458	9.8
111.00894	1.5
113.02459	4.2
115.07684	1.3
118.98084	1.1
127.00381	1.0
128.20291	0.7
131.03555	0.8
135.04524	0.8
143.03523	1.7
160.42244	0.7
161.04585	2.5
163.11293	5.5
166.05177	2.0
167.05478	1.4
172.59979	0.7
181.12363	37.8
182.12729	2.5
189.00534	1.1
191.05716	1.4
191.10832	2.6
203.05614	0.9
207.10374	1.4
223.13487	1.5
225.11328	97.5
226.11682	7.4
249.11375	1.3
267.12424	3.1
269.14041	2.3
387.13388	3.1
423.51337	0.7
429.14075	1.9
473.12851	1.4
474.23331	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.26
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92000	1.9
55.03636	1.8
58.00581	4.7
59.01381	30.1
61.57878	2.1
63.03733	2.1
70.10609	9.8
71.01067	2.3
71.01395	24.1
72.99303	2.3
73.02945	18.1
75.00882	2.2
76.57111	2.0
76.88674	2.1
81.54165	2.1
85.02953	4.7
89.02441	6.8
97.06635	3.9
99.08203	1.9
101.02445	9.0
104.39686	2.1
113.02452	13.8
113.06158	2.2
119.03481	3.1
139.07744	2.9
149.69273	1.9
161.04639	5.8
167.23863	1.9
227.17937	3.6
245.19060	22.1
249.18600	100.0
250.18945	8.3
263.20132	52.4
264.20462	5.8
273.18564	10.1
289.08600	2.2
291.19675	26.5
292.20087	3.0
303.19305	2.9
321.20697	3.9
470.53174	2.3
471.34964	5.8
472.34869	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	471.3476
Annotation	Corosolic acid
Peak:m/z	Relative Intensity
59.01375	0.8
61.98817	1.5
66.86602	0.4
68.66927	0.3
73.65675	0.4
76.80764	0.4
78.95906	1.2
97.51919	0.4
152.99605	1.6
260.75833	0.5
342.31656	5.7
343.32129	0.9
351.14185	0.5
358.60138	0.4
409.23230	0.5
412.33310	0.4
423.32416	1.2
441.33762	0.6
453.33548	2.6
471.34805	100.0
472.35107	20.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2084
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58915	1.1
55.01876	3.5
57.03444	3.3
59.01382	45.2
60.99300	6.5
61.98837	5.9
69.03469	1.4
70.89161	3.4
71.01387	46.8
72.99324	2.1
73.02950	34.1
75.00883	1.9
78.95919	4.6
79.95743	1.9
80.96539	1.7
82.95415	1.6
83.01401	10.1
83.05059	1.5
85.02959	19.0
87.00894	3.8
88.00433	1.5
88.98814	56.3
89.02460	19.3
93.03456	1.5
95.01423	1.8
96.96024	22.0
97.02966	1.8
98.95576	1.6
99.00901	6.7
101.02458	38.6
102.02763	1.2
102.05586	1.4
111.00881	1.7
113.02468	15.9
113.03214	2.1
115.00414	1.4
115.04053	2.3
119.59982	1.3
123.04563	1.8
125.02448	3.9
128.03511	3.1
129.10399	1.2
130.08771	1.7
131.03522	1.8
133.01439	3.1
133.03023	2.7
133.05070	3.4
134.03752	31.6
135.04506	5.4
137.02481	9.4
137.03462	1.8
139.04091	1.5
143.03566	3.0
147.06647	4.2
149.04832	2.4
149.06082	15.0
152.99606	3.5
156.20065	1.2
157.82083	1.3
159.03012	3.4
159.04465	1.2
161.02478	10.7
161.04549	14.3
164.98613	1.5
165.05554	1.2
178.02727	24.5
179.03496	5.7
181.12350	3.6
191.03557	1.3
191.05595	2.3
193.05070	93.7
194.05441	5.6
199.13403	3.2
223.06190	2.7
279.14459	25.8
280.14886	2.4
309.09824	4.4
323.07693	5.4
341.08585	1.4
342.24112	1.2
344.02771	1.4
355.10373	15.8
385.11850	16.2
388.55554	1.1
406.16464	1.2
411.18741	100.0
412.18954	11.5
427.12662	7.4
471.15598	34.3
471.27979	3.9
471.34702	3.5
472.15649	4.3
472.23041	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	0.3
57.03446	0.7
59.01376	100.0
60.01705	1.2
61.98834	1.4
69.54482	0.6
69.54887	1.8
71.01383	6.6
73.02946	8.3
83.01390	2.9
85.02969	1.1
87.00919	0.5
89.02445	2.6
95.01409	0.4
96.96043	0.5
97.02946	0.3
99.00894	0.4
101.02449	10.2
101.67861	0.2
102.98624	0.7
113.02460	3.6
119.03474	1.5
125.02509	0.5
129.55432	0.2
130.08716	0.2
131.03552	1.0
133.03006	0.9
136.39476	0.2
137.09726	1.5
143.03526	1.1
149.00726	0.6
149.04596	1.7
155.03540	0.2
161.04567	3.7
161.05884	0.3
166.05138	0.8
177.07465	0.4
179.05598	0.3
185.11932	0.3
189.12866	0.5
221.06500	1.8
241.64877	0.2
260.45850	0.2
279.37640	0.2
283.04950	0.6
446.83496	0.3
471.22626	0.4
472.29309	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1883
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00594	1.9
59.01377	100.0
60.01704	2.2
61.98830	45.2
61.99562	2.0
69.65375	13.8
71.01382	22.9
73.02961	21.0
83.01397	4.7
85.02952	7.2
89.02437	4.2
96.96017	11.3
97.02984	2.6
99.00872	2.3
101.02438	19.3
108.05730	1.8
113.02460	9.9
113.06104	3.0
119.03611	2.4
125.48597	2.0
127.60510	1.8
135.08189	2.2
136.05260	4.0
138.06873	19.9
139.07712	4.5
151.07637	15.5
152.08453	23.3
153.09230	93.8
154.09532	5.2
161.04556	6.9
199.45363	2.0
205.12346	28.4
206.12703	2.8
223.13426	14.5
267.64285	2.0
301.88367	1.9
356.77856	2.1
367.17664	15.3
368.17694	2.8
385.11591	5.4
385.18417	5.5
427.12927	4.6
427.19632	10.2
471.16412	5.3
492.69669	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	471.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	9.8
58.00593	0.8
59.01377	32.6
61.98828	2.7
65.12148	0.4
71.01384	12.4
71.01774	0.7
71.57461	0.9
71.58491	0.5
71.60857	0.5
73.02950	13.8
75.00878	0.7
78.95911	1.2
79.05550	1.4
83.01387	3.8
85.02965	2.8
89.02442	3.7
93.03476	0.5
95.01408	0.7
96.96022	5.1
99.00864	0.6
99.04536	3.6
101.02454	16.1
101.03118	1.0
102.02754	0.5
105.03493	2.6
108.02174	0.5
113.02456	6.1
119.03518	2.0
121.06580	2.1
123.04536	11.4
123.08162	0.8
124.04855	0.7
125.02505	3.1
130.08754	1.0
131.03532	1.2
143.03511	1.6
145.06270	0.7
147.04573	0.8
147.08113	0.6
149.02460	7.6
149.04510	1.7
152.99597	1.0
153.09258	2.9
161.04568	4.2
165.05582	100.0
166.05960	4.1
167.03638	0.8
179.05618	0.9
181.12340	0.8
187.11279	0.6
191.05557	0.9
199.13412	1.3
205.12314	4.1
207.06566	0.7
221.06657	0.7
223.13319	0.7
243.12274	0.6
309.13608	0.6
327.10944	6.5
327.14597	1.1
367.17859	2.4
369.12027	3.8
385.11917	2.3
385.18634	2.8
409.15030	0.9
427.12793	2.1
427.19604	3.0
453.15393	0.5
471.15436	7.6
471.28510	2.4
471.34711	1.3
472.15527	0.9
472.28998	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1509
Annotation	Unknow
Peak:m/z	Relative Intensity
53.53601	0.2
57.03448	7.6
59.01377	4.3
61.98828	1.8
70.44135	0.8
71.01385	1.1
72.99284	0.3
73.02935	0.7
77.50082	0.2
78.19646	0.2
78.95935	0.5
79.05537	1.6
81.03446	0.4
83.01404	0.3
83.05042	0.4
85.02982	0.2
87.00909	0.2
89.02462	0.6
95.05050	0.3
96.96024	2.8
99.00915	0.2
99.04532	2.4
101.02454	2.7
105.03479	2.2
113.02495	0.3
119.03483	0.3
121.06624	1.8
123.04536	10.6
124.04856	0.5
125.02444	1.1
127.00407	0.2
128.03560	0.4
130.08769	0.4
135.04524	0.3
147.04532	0.6
147.06636	0.4
149.02466	7.3
149.06088	0.3
150.03156	0.2
152.99570	0.5
161.02472	0.9
161.04556	0.3
163.77414	0.2
165.05583	100.0
166.05908	4.6
167.03479	1.0
179.03447	0.2
179.07195	0.5
189.00336	0.2
189.05557	0.7
191.05600	0.4
191.07201	0.3
197.13155	0.3
197.96521	0.2
199.13425	0.5
201.11243	0.2
207.06616	1.0
223.13480	0.2
249.11238	1.0
256.59601	0.2
305.08850	0.2
309.09702	0.3
323.07574	0.9
327.10873	7.1
328.11215	0.8
369.11938	4.0
370.12265	0.6
385.11954	0.9
409.15143	1.0
427.12634	0.8
427.17670	0.3
453.15298	0.8
470.32153	0.3
471.15128	6.4
471.33755	0.7
472.15637	0.8
472.28955	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.1515
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.0
61.98830	100.0
69.27923	1.5
69.28357	1.2
71.01385	0.8
73.02943	0.4
78.95887	0.2
79.76344	0.3
87.72181	0.2
88.98841	0.3
89.02476	0.8
91.49749	0.2
96.96035	0.9
101.02464	0.8
109.02955	0.5
115.00372	1.3
116.92895	0.6
119.05037	0.4
124.04089	0.3
125.02501	0.5
126.57529	0.2
128.03555	0.6
134.17564	0.3
135.04552	0.5
135.25572	0.3
136.37506	0.2
138.05632	0.3
143.15714	0.2
147.06735	0.3
149.04509	0.5
150.63765	0.3
161.02432	0.3
181.69684	0.2
182.45860	0.2
183.28349	0.2
191.03432	0.3
193.05099	1.3
207.06496	0.4
233.04587	0.6
234.05408	0.4
235.05647	0.6
268.73846	0.2
277.24942	0.2
280.40707	0.2
288.16504	0.3
307.08322	0.9
308.08597	2.1
309.05914	0.5
410.17535	0.4
470.13666	0.6
470.19354	0.4
471.11652	0.8
472.24295	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.216
Annotation	Unknow
Peak:m/z	Relative Intensity
59.50380	1.7
61.98827	9.5
68.26076	1.6
71.72557	2.1
78.95908	96.8
96.96942	10.3
97.58389	1.4
99.99545	1.5
103.01852	1.9
106.82301	1.4
114.25793	1.5
137.40451	1.4
151.23303	1.8
152.99597	100.0
153.99911	2.8
171.00648	92.3
256.23413	3.2
272.74332	1.7
407.22012	32.7
408.22415	3.9
419.81256	1.8
470.34036	3.7
471.34805	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	471.1173
Annotation	circumbiphenyl
Peak:m/z	Relative Intensity
52.02314	0.3
53.97021	0.3
57.03439	0.3
59.01378	6.5
61.98828	2.0
63.78479	0.3
69.63483	1.8
69.68170	0.3
71.01367	1.6
73.02942	1.1
78.95908	3.5
79.95734	1.7
80.96533	0.7
83.01382	0.5
85.02941	0.8
87.00884	0.3
87.62154	0.3
89.02435	0.9
94.74167	0.3
95.95251	0.5
96.96019	100.0
98.19942	0.7
98.95617	2.7
99.00917	0.4
100.96053	0.4
101.02461	1.6
103.00362	0.5
113.02434	0.9
119.06214	0.3
133.02950	0.3
135.04547	0.7
139.00467	0.3
147.04625	0.3
147.06644	0.5
149.02467	0.4
151.07736	0.4
152.08493	0.6
152.99620	0.7
153.09282	1.7
161.02444	1.0
166.02721	1.4
172.87105	0.3
178.99866	2.3
179.03636	0.4
181.12375	0.4
183.10255	0.5
191.03546	0.9
193.01500	0.4
205.12314	0.7
206.99370	0.5
222.01645	1.5
223.13396	0.4
239.95108	0.3
241.00365	0.4
256.99695	4.3
299.00735	1.4
323.07767	1.0
340.51114	0.3
357.09039	0.7
362.34610	0.3
367.10846	1.0
367.17499	0.3
385.07849	1.8
385.11752	36.7
386.07849	0.5
386.12061	2.3
423.05768	0.4
427.12842	33.4
428.13150	3.8
470.16479	0.4
471.11716	13.1
471.16748	7.0
471.34662	1.0
472.11322	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	471.1509
Annotation	Unknow
Peak:m/z	Relative Intensity
53.53601	0.2
57.03448	7.6
59.01377	4.3
61.98828	1.8
70.44135	0.8
71.01385	1.1
72.99284	0.3
73.02935	0.7
77.50082	0.2
78.19646	0.2
78.95935	0.5
79.05537	1.6
81.03446	0.4
83.01404	0.3
83.05042	0.4
85.02982	0.2
87.00909	0.2
89.02462	0.6
95.05050	0.3
96.96024	2.8
99.00915	0.2
99.04532	2.4
101.02454	2.7
105.03479	2.2
113.02495	0.3
119.03483	0.3
121.06624	1.8
123.04536	10.6
124.04856	0.5
125.02444	1.1
127.00407	0.2
128.03560	0.4
130.08769	0.4
135.04524	0.3
147.04532	0.6
147.06636	0.4
149.02466	7.3
149.06088	0.3
150.03156	0.2
152.99570	0.5
161.02472	0.9
161.04556	0.3
163.77414	0.2
165.05583	100.0
166.05908	4.6
167.03479	1.0
179.03447	0.2
179.07195	0.5
189.00336	0.2
189.05557	0.7
191.05600	0.4
191.07201	0.3
197.13155	0.3
197.96521	0.2
199.13425	0.5
201.11243	0.2
207.06616	1.0
223.13480	0.2
249.11238	1.0
256.59601	0.2
305.08850	0.2
309.09702	0.3
323.07574	0.9
327.10873	7.1
328.11215	0.8
369.11938	4.0
370.12265	0.6
385.11954	0.9
409.15143	1.0
427.12634	0.8
427.17670	0.3
453.15298	0.8
470.32153	0.3
471.15128	6.4
471.33755	0.7
472.15637	0.8
472.28955	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.1725
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	19.3
58.03798	0.5
59.01379	17.2
60.99305	1.2
61.98830	100.0
65.70934	0.4
65.71291	0.4
67.01884	3.2
68.02235	0.4
69.03453	0.8
69.58324	0.5
69.64899	2.3
69.65305	1.0
71.01382	5.4
73.02940	5.1
74.03311	0.6
78.95921	1.0
81.03481	0.9
83.01408	2.7
83.05048	0.5
84.01724	0.6
85.02955	1.9
87.00878	4.5
88.01245	0.7
89.02451	3.8
92.00519	0.4
93.03469	16.8
94.03807	7.2
94.62104	0.4
96.96012	2.7
97.02957	0.6
98.19946	0.7
99.00898	1.7
99.04527	21.4
101.02448	9.1
104.01050	0.4
111.00926	1.5
111.04552	2.2
112.04881	1.1
113.02483	2.3
119.03548	1.6
123.04555	1.1
125.02457	6.5
127.00381	4.7
128.00743	1.2
129.00833	1.2
129.01872	0.4
134.03749	2.0
135.04547	1.0
136.04826	0.6
143.03526	1.7
149.04608	1.3
155.03519	0.4
159.02992	0.4
161.04614	1.9
163.93190	0.4
173.00967	0.6
173.04562	8.2
174.04910	3.1
178.02811	0.7
179.03271	0.7
179.05699	0.8
182.34875	0.5
189.00456	2.6
190.00784	1.0
191.00935	1.7
191.05664	2.8
192.01158	0.6
192.06038	1.5
205.08733	2.0
221.06618	0.7
222.03215	0.5
247.09813	1.1
253.09761	0.6
261.13419	0.9
268.12228	0.5
300.11166	0.4
303.14664	1.3
343.17554	0.7
361.19046	0.5
363.17126	0.6
392.19998	1.0
405.17542	9.9
406.17993	1.2
436.18979	1.6
450.14856	9.5
451.15167	0.9
468.15921	11.7
469.16486	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.1797
Annotation	Unknow
Peak:m/z	Relative Intensity
58.52395	3.3
59.01374	24.2
61.98830	100.0
69.03482	6.1
71.01402	22.6
71.59727	5.1
78.95935	6.7
83.01379	5.1
89.02461	13.1
96.96028	28.8
96.96983	3.9
97.02956	4.8
101.02474	10.2
109.03004	3.5
114.05607	5.8
116.92861	13.2
119.05020	11.8
121.02936	5.5
126.09290	6.4
144.93092	3.7
149.04588	10.6
163.04039	6.4
191.05603	4.9
191.07187	10.9
234.97218	4.3
237.81483	3.5
240.19865	3.8
248.13005	5.4
250.13472	6.7
307.08267	15.7
350.11880	5.2
353.12497	6.3
409.17105	4.5
468.18066	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	470.0942
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03469	0.1
59.01381	4.8
59.42187	0.1
60.01709	0.5
61.01809	0.4
61.98832	100.0
62.98531	0.4
69.62156	1.3
71.01403	0.9
73.02957	0.6
78.95937	0.2
83.01403	0.3
85.02982	0.2
89.02444	0.3
89.94338	0.2
96.96024	4.7
99.92622	0.2
101.02483	0.7
113.02480	0.3
130.08780	0.3
139.11308	0.3
140.11717	0.1
161.04614	0.3
183.10352	0.3
185.10918	0.2
189.00383	0.2
191.05647	0.2
199.07706	0.2
199.13429	0.2
201.05600	0.2
212.82629	0.2
225.11307	0.2
226.11766	0.2
243.12427	1.3
244.12711	0.9
245.12979	1.3
256.99869	0.2
273.13385	0.3
385.11801	1.7
407.18161	1.1
410.10739	0.3
427.12650	1.5
452.18350	0.3
470.29855	0.5
471.11353	0.4
471.28662	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	2.4
57.03437	7.4
58.00595	2.7
58.42688	1.9
59.01379	76.7
61.98827	68.6
69.03445	9.3
71.01382	100.0
71.66035	3.1
72.99298	3.0
73.02946	20.1
75.00869	6.0
78.95881	5.2
81.03457	4.6
82.24043	2.0
83.01396	6.9
83.05028	3.3
85.02950	18.1
89.02447	83.8
93.03462	2.9
95.01414	4.9
96.96008	5.1
96.96961	4.6
97.02956	12.6
99.00877	33.4
99.04505	3.2
101.02454	35.4
103.92005	4.0
109.02951	6.7
111.00898	2.7
113.02465	10.9
115.04010	8.9
119.03529	5.8
121.02946	9.2
125.02451	31.7
126.09228	10.5
127.00388	2.8
127.03984	4.1
127.09583	4.4
130.74232	2.3
131.03528	11.3
143.03517	3.6
149.04576	20.7
154.70110	2.0
161.04570	6.4
189.00500	3.5
191.05624	16.0
217.07138	2.6
233.06648	26.9
248.12869	8.8
249.13229	10.3
267.08734	5.3
275.11270	6.9
293.08804	13.8
304.15479	4.9
305.15765	11.5
305.18866	2.7
349.11362	73.2
350.11737	4.2
359.97021	2.3
407.15533	51.6
408.15845	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	468.1722
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	59.8
60.01716	3.3
61.01827	0.7
61.98832	59.3
62.54334	0.5
70.84774	1.0
70.85147	1.2
71.01383	7.0
72.01693	0.6
72.70528	0.5
73.02943	3.8
81.03479	0.6
83.01385	1.1
85.02950	4.3
88.03812	0.5
89.02444	0.6
93.03468	1.4
96.96027	2.5
98.95612	0.5
99.00957	0.7
101.02455	4.2
111.00878	1.0
113.02457	3.4
127.00401	0.8
139.11305	13.7
140.11542	0.7
143.05066	0.9
144.05438	0.8
161.04570	2.1
161.05975	1.0
163.11293	1.2
173.00880	0.7
173.06044	0.7
175.75003	0.5
181.12357	9.9
183.10274	19.5
184.10641	1.0
191.00760	0.7
191.05629	4.2
192.05952	2.0
193.05058	0.9
199.13377	6.0
202.06038	1.1
203.07141	1.5
219.02554	0.7
219.06519	1.0
220.06967	0.9
225.11314	5.5
226.12415	0.7
243.12370	100.0
244.12727	7.6
245.04587	0.9
246.04898	1.2
265.90018	0.7
269.12900	1.9
274.08203	1.0
285.13452	2.7
345.15408	0.7
345.62637	0.6
405.17661	34.3
406.18112	2.5
408.10162	4.4
409.11197	1.9
450.15906	0.8
468.16486	3.0
469.17404	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.1723
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	1.0
59.01111	1.5
59.01378	18.1
61.98827	71.8
66.64828	0.9
69.47313	6.2
69.47717	1.7
73.02943	2.5
78.91885	1.0
79.95710	1.1
80.91661	2.3
85.02971	1.3
85.73986	0.9
87.00871	1.3
93.03478	1.8
94.03813	1.3
96.96011	11.5
98.95596	2.0
106.29079	1.0
139.11296	14.8
143.04573	1.5
181.12363	9.1
183.10269	25.3
184.10567	1.5
185.11819	3.5
189.00333	1.1
191.05594	6.5
192.05977	3.4
193.04970	1.4
199.13411	5.5
219.10696	5.4
225.11328	6.7
243.12349	33.5
244.12700	2.1
244.77344	1.0
264.48404	1.1
306.07797	2.4
307.12146	7.7
383.10175	1.8
387.16257	1.7
405.17636	100.0
406.18094	9.4
425.11203	1.9
450.14902	1.8
468.15936	12.6
469.17377	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	466.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	21.9
57.05804	0.5
58.03782	0.6
59.01381	3.4
61.98830	12.5
65.93206	0.4
66.03488	1.4
71.01377	1.4
71.60048	0.8
71.60371	0.5
73.02948	1.5
74.02507	0.4
74.03288	0.4
78.81998	0.5
78.95916	1.6
81.03477	0.5
82.44312	0.4
83.01395	1.5
88.04065	0.6
89.02454	0.7
93.03468	3.4
95.04988	0.5
96.96027	2.7
96.96974	1.7
97.06599	4.2
99.00887	1.7
101.02428	0.8
103.92033	0.9
104.92793	0.5
109.02966	26.9
109.06601	0.9
110.03326	1.1
113.94120	0.5
114.05576	0.8
116.92840	0.5
119.04983	1.0
121.02969	41.7
122.03306	1.4
125.02506	0.6
126.09261	89.3
126.90457	1.0
127.00363	2.1
127.09608	3.7
128.00742	0.6
137.02467	0.5
140.07187	9.3
147.04504	0.6
161.02470	0.6
163.03929	0.5
163.07640	3.0
164.10767	1.2
170.08286	0.7
176.01187	0.6
177.01947	1.1
179.07140	3.7
182.11920	3.4
189.00354	2.5
190.00752	0.7
191.05632	0.9
192.01340	0.6
201.71019	0.4
207.06612	1.1
232.13376	1.4
244.12398	0.4
248.12898	100.0
249.13220	7.6
267.08722	3.9
268.09033	1.5
286.14484	3.9
304.15527	87.3
305.15833	8.8
339.07236	0.5
410.18143	7.6
411.18185	0.7
448.19516	0.8
465.93558	1.6
466.07965	0.8
466.14136	0.9
466.20782	17.3
467.21835	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	467.16
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.3
57.03443	0.5
57.20939	0.2
57.67390	0.2
59.01379	2.0
60.99311	0.2
61.98834	1.3
63.55224	0.1
70.72710	0.2
71.01382	1.4
71.56943	0.2
73.02953	2.1
74.99091	0.3
75.00873	0.5
75.03351	0.2
78.91908	0.3
79.95740	3.5
80.91685	0.3
80.96529	0.4
83.01392	1.5
83.05044	0.6
84.01732	0.2
85.02953	1.5
87.00891	0.4
88.98802	0.2
89.02453	0.3
93.03471	0.8
95.95217	0.4
96.96021	68.2
97.95978	0.2
99.00896	1.3
99.92619	0.6
101.02449	0.8
111.00893	1.0
113.02460	0.4
115.92094	4.5
116.92126	0.4
116.92870	2.5
120.99657	0.5
127.00395	2.7
128.00735	0.8
129.00844	0.4
129.01949	0.2
134.03746	0.7
136.99171	0.3
138.97157	0.2
154.99846	0.2
165.04039	0.7
173.00934	0.4
173.04486	0.3
173.10123	0.3
175.02571	0.2
178.02771	0.3
179.05615	0.2
181.08731	2.1
184.05307	0.2
189.00423	2.5
190.00774	0.8
191.00887	1.1
191.05618	7.6
192.05925	0.4
193.05045	1.3
199.09772	0.5
203.07069	0.3
210.96983	1.0
217.96727	0.2
225.00768	0.5
228.98082	0.9
229.98186	0.2
241.00201	1.5
253.09273	0.5
255.11275	0.3
256.99719	2.7
261.95706	0.5
275.09259	0.4
292.66211	0.2
305.16156	0.2
313.05997	0.3
321.09802	0.5
371.08591	0.2
405.02762	0.4
407.22906	0.2
437.01727	0.5
467.15891	100.0
468.16223	11.7
468.26389	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.1589
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02014	0.2
54.37704	0.2
57.36076	0.2
59.01378	1.7
61.98823	1.0
67.32387	0.2
69.66153	1.4
71.01386	1.0
73.02943	0.9
79.95738	1.3
80.96521	0.9
83.01389	0.5
85.02947	0.8
87.00870	0.3
89.02448	0.3
93.03471	1.2
96.96020	59.2
99.00894	0.3
101.02473	0.6
111.00882	1.5
111.04536	0.3
113.02461	0.3
127.00392	0.9
128.00760	0.2
129.00850	0.3
138.97147	0.2
152.54890	0.2
154.99854	0.4
173.00966	0.8
173.04544	0.2
189.00397	0.7
190.00745	0.3
191.00830	0.5
191.03976	0.3
191.05646	3.7
205.99748	0.2
241.00221	1.4
256.99603	0.3
257.08191	0.4
288.49292	0.2
288.72754	0.2
409.11536	0.2
449.14539	0.6
450.14932	0.2
464.51978	0.2
467.15894	100.0
468.16223	12.4
485.91083	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.1931
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59139	0.1
55.01863	0.2
57.03461	0.7
57.92460	0.1
58.03800	0.1
59.01378	0.9
61.98833	100.0
62.98533	0.3
69.07302	0.1
71.01395	0.7
71.69336	0.2
71.88738	0.1
73.02954	3.8
73.03368	0.2
73.89127	0.1
74.03281	0.7
75.00906	0.2
78.91905	0.2
78.95937	0.1
83.01396	2.6
83.76288	0.1
84.01723	0.6
85.02977	0.3
87.00907	0.3
88.98832	0.1
89.02466	0.2
93.03471	0.3
96.96032	0.8
99.00890	2.4
99.04555	0.1
100.01227	0.5
101.02478	0.4
103.00429	0.1
111.00922	0.4
111.04534	0.1
113.02472	0.2
115.92130	0.2
116.83659	0.1
120.99684	0.7
127.00399	5.7
128.00735	1.8
129.00893	0.1
137.02509	0.2
140.74513	0.1
142.99925	0.4
151.00470	0.1
153.86497	0.1
169.01375	0.2
173.00978	0.1
173.10220	0.1
177.01900	0.2
189.00424	5.7
190.00752	2.8
190.02377	0.1
191.00960	0.4
191.05635	1.5
193.05159	0.2
207.01529	0.2
208.01895	0.1
372.88422	0.1
405.20190	0.1
406.20465	0.5
421.00742	0.1
422.08536	0.1
466.20123	0.3
467.15692	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.1931
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59139	0.1
55.01863	0.2
57.03461	0.7
57.92460	0.1
58.03800	0.1
59.01378	0.9
61.98833	100.0
62.98533	0.3
69.07302	0.1
71.01395	0.7
71.69336	0.2
71.88738	0.1
73.02954	3.8
73.03368	0.2
73.89127	0.1
74.03281	0.7
75.00906	0.2
78.91905	0.2
78.95937	0.1
83.01396	2.6
83.76288	0.1
84.01723	0.6
85.02977	0.3
87.00907	0.3
88.98832	0.1
89.02466	0.2
93.03471	0.3
96.96032	0.8
99.00890	2.4
99.04555	0.1
100.01227	0.5
101.02478	0.4
103.00429	0.1
111.00922	0.4
111.04534	0.1
113.02472	0.2
115.92130	0.2
116.83659	0.1
120.99684	0.7
127.00399	5.7
128.00735	1.8
129.00893	0.1
137.02509	0.2
140.74513	0.1
142.99925	0.4
151.00470	0.1
153.86497	0.1
169.01375	0.2
173.00978	0.1
173.10220	0.1
177.01900	0.2
189.00424	5.7
190.00752	2.8
190.02377	0.1
191.00960	0.4
191.05635	1.5
193.05159	0.2
207.01529	0.2
208.01895	0.1
372.88422	0.1
405.20190	0.1
406.20465	0.5
421.00742	0.1
422.08536	0.1
466.20123	0.3
467.15692	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.1567
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31054	0.3
57.03452	1.2
59.01378	12.4
61.98832	100.0
71.01379	2.2
71.66342	0.5
72.95419	0.4
73.02954	3.4
78.91914	0.8
78.95940	0.3
79.95760	0.4
80.91688	0.5
83.01404	2.4
85.02967	1.3
87.00909	1.1
89.02467	1.3
93.03474	1.7
96.96022	8.6
96.96614	0.5
99.00906	2.2
99.04529	0.5
100.01235	0.5
101.02470	1.3
111.00905	1.0
111.04520	0.4
113.02453	0.7
119.03478	0.5
122.06099	0.3
127.00384	4.1
128.00719	1.2
129.18584	0.3
135.08234	0.4
137.09776	0.8
146.08221	0.8
153.27745	0.3
155.61203	0.3
161.02492	0.5
161.09686	0.6
173.00940	0.5
173.04610	0.6
179.10876	1.0
180.06714	0.3
181.08734	2.6
187.07690	0.5
189.00417	5.5
190.00742	2.4
191.05626	7.5
192.06085	0.3
197.11832	8.0
212.44446	0.3
223.09781	0.9
230.02251	2.6
241.10815	29.8
242.11102	2.4
245.04607	1.3
253.04942	0.4
257.08316	0.7
275.09320	0.6
277.12134	0.4
278.12549	0.6
352.39935	0.3
399.25961	0.3
402.72247	0.3
403.16098	12.9
403.21362	0.7
404.16608	1.2
449.14694	2.2
466.14285	1.1
466.20102	0.8
467.16034	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	466.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	3.3
59.01380	3.5
61.98830	8.8
71.01397	1.7
71.67908	1.9
73.02936	1.3
75.00871	1.4
78.95908	4.8
83.01381	1.6
85.02975	1.0
89.02425	1.8
92.33831	1.2
93.03476	4.4
96.96017	10.9
96.96968	6.0
97.06618	2.3
99.00907	1.8
99.04547	1.3
103.92035	1.1
109.02961	2.0
112.93729	1.4
121.02969	14.4
124.87721	1.1
125.02467	2.1
126.09274	5.3
127.00410	3.3
134.63690	1.0
139.04027	100.0
140.04376	3.3
147.04517	2.6
161.04555	1.8
163.07600	1.4
164.07138	5.7
165.07541	2.0
183.15082	2.6
189.00433	2.3
191.05658	5.3
207.06628	1.7
216.65215	1.2
248.12921	8.0
266.52890	1.1
267.08719	5.8
268.09021	2.9
301.09256	18.6
302.09616	2.0
304.15625	5.6
305.18753	7.9
466.20212	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	11.1
58.02967	0.5
59.01377	100.0
60.01717	0.9
61.98833	14.3
67.95224	0.4
69.50673	1.9
69.51102	1.5
71.01381	8.1
72.99335	0.6
73.02949	6.6
73.43909	0.4
77.94988	0.4
78.95908	0.6
83.01392	4.1
83.05017	0.9
85.02975	1.7
87.00886	1.0
88.13783	0.4
88.98835	0.5
89.02450	10.8
93.03474	2.0
95.01391	0.6
96.96024	2.4
96.96978	1.5
97.06619	1.8
98.19910	0.9
99.00896	4.4
99.04539	1.0
101.02454	5.4
103.92043	1.1
109.02965	11.9
109.06646	0.7
113.02456	4.0
114.02863	0.4
116.92909	1.3
117.49824	0.4
119.03507	4.9
121.02968	19.3
123.08190	0.6
123.94620	0.5
125.02481	1.6
126.09263	37.1
127.00393	10.2
127.04024	0.6
131.03557	0.7
134.03758	0.6
135.04555	1.4
142.99899	0.6
143.03564	1.5
149.04549	0.8
161.02490	0.5
161.04518	2.5
164.10829	0.6
165.00250	0.9
165.01964	0.4
167.10805	0.5
170.08290	0.8
171.94676	0.5
179.04018	0.7
179.05669	4.7
179.07202	1.3
182.11879	0.7
185.08231	0.5
187.02551	1.0
189.00410	12.4
191.05608	9.0
192.04326	0.9
192.05927	0.7
192.99591	0.7
207.06683	2.5
208.99126	2.0
243.12485	1.8
248.12909	45.0
249.07703	0.7
267.08710	10.6
268.09161	0.8
279.12976	0.4
286.14603	1.7
296.55496	0.4
303.14490	3.3
304.15546	43.5
370.55975	0.5
375.07104	1.4
383.04416	1.0
405.21570	4.8
410.18298	2.2
465.19537	1.4
465.24948	0.7
466.20755	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	465.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	0.8
57.03447	2.6
58.00581	0.5
59.01377	100.0
60.01716	1.0
61.98830	26.3
62.37986	0.2
71.01383	8.0
71.70489	0.3
71.97054	0.3
72.99310	0.8
73.02947	11.9
74.02473	0.3
74.70732	0.2
75.00872	1.6
78.91933	0.2
78.95909	3.8
79.89911	0.2
79.95758	0.3
83.01391	8.3
84.01690	0.3
85.02956	1.2
87.00877	1.3
89.02451	10.1
90.02772	0.3
93.03463	0.4
95.01413	0.6
96.96033	13.0
96.96986	7.2
99.00889	7.8
99.01543	0.3
99.04530	3.1
99.92603	0.4
100.01267	0.2
101.02449	6.0
111.00967	0.3
113.02457	3.7
114.02854	0.2
115.04025	1.0
115.92109	1.1
116.92865	4.6
117.01980	0.5
117.69101	0.2
117.92899	0.4
119.03519	4.7
119.05033	0.7
125.02467	11.1
125.06113	0.5
126.02838	0.4
127.00387	17.9
128.00723	0.7
131.03557	0.4
142.99899	1.0
143.03485	2.2
144.97940	0.2
145.01512	0.6
146.08238	0.3
149.04582	0.5
156.89523	0.2
161.04559	2.1
163.04089	0.3
167.10793	0.4
170.99448	0.2
173.04523	0.3
177.99765	0.4
179.05621	4.3
179.07063	0.2
185.08215	0.3
187.02484	9.0
188.02937	0.3
189.00417	23.8
190.00813	1.0
191.00446	0.2
191.05656	1.5
192.01257	2.4
210.05664	0.9
221.36317	0.2
231.05856	0.2
243.12538	0.6
248.03844	4.0
265.07144	0.4
274.01877	0.3
285.13074	0.4
292.02875	3.4
303.05322	0.4
303.14465	2.4
379.07388	0.5
405.21326	5.6
405.26309	0.4
406.21951	0.5
449.20468	0.6
465.07108	0.3
465.24133	1.5
466.08063	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	466.0812
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	1.3
61.98828	5.0
66.66775	0.2
69.84154	1.7
71.01382	0.9
73.02941	0.8
78.95898	0.7
79.95741	3.0
80.96526	2.2
83.01386	0.6
85.02979	0.6
87.00880	0.9
95.95249	1.0
96.96021	100.0
97.95984	0.4
99.00909	0.6
101.02481	0.3
108.99986	0.3
127.00385	0.7
138.97046	1.2
150.97099	0.3
152.99628	0.4
154.06232	0.5
160.84111	0.2
166.96542	0.5
181.08665	0.4
189.00391	0.9
190.00746	0.5
222.99194	0.3
241.00227	11.3
242.00519	0.6
268.01376	0.6
466.08109	62.1
467.08456	8.0
467.15051	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1976
Annotation	Ustiloxin F
Peak:m/z	Relative Intensity
50.49555	0.5
55.01873	0.6
57.03450	5.9
59.01378	100.0
60.01702	0.9
61.98830	30.8
62.98541	0.8
63.99274	0.4
64.64271	0.4
65.44365	0.4
69.03452	0.6
69.60399	3.3
71.01387	3.5
72.99297	0.6
73.02952	14.3
73.03362	0.8
75.00877	0.9
78.95924	1.0
81.03484	0.7
83.01389	10.0
83.05021	4.0
85.02943	3.1
87.00884	6.1
89.02443	2.5
93.03466	0.6
94.98068	0.6
95.01392	0.5
95.05048	0.8
95.76888	0.4
96.96035	2.2
96.96964	0.5
97.02967	0.7
97.06608	2.3
99.00894	9.0
99.04528	14.2
99.92600	0.5
100.01245	0.5
101.02446	3.3
104.92856	0.6
107.05019	1.4
109.06586	0.6
110.03737	2.0
113.02443	1.2
114.10141	0.4
115.04022	0.6
115.92126	0.5
116.92887	1.9
117.01994	0.6
119.03527	1.3
121.06583	0.7
123.08174	7.3
125.01536	0.9
125.02463	13.4
125.06094	21.6
126.02754	0.5
126.06466	0.8
127.00391	24.0
128.00749	1.0
133.02960	1.6
136.04019	0.7
137.09766	0.5
140.17908	0.4
142.99893	1.5
143.03514	1.1
145.01488	0.6
149.06110	0.4
159.03018	0.4
160.01668	0.5
161.04567	10.2
163.11292	1.7
165.00166	2.2
165.09198	1.2
167.07153	4.4
170.99350	0.7
179.05617	6.7
185.08211	4.1
187.02492	9.5
188.02776	0.6
189.00423	28.3
190.00763	1.4
191.05615	16.2
192.99672	10.1
207.06703	0.9
207.10219	2.0
208.99187	1.9
221.06644	5.3
223.13374	1.2
225.11298	3.7
241.14436	3.4
242.14833	0.5
243.12358	35.6
244.12656	2.6
248.12782	0.7
267.08704	3.1
267.12268	0.8
268.08340	0.5
285.03940	0.8
285.13382	7.0
286.13696	0.8
303.05179	0.9
303.14502	13.5
304.14920	0.8
341.83478	0.5
352.22208	0.5
383.04276	1.2
405.21420	4.3
406.21896	0.5
447.18668	8.9
448.18875	0.8
465.01971	4.7
465.19769	82.7
466.01910	0.5
466.14108	0.8
466.20111	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	465.1434
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	0.9
57.03444	3.8
59.01373	5.5
59.40788	0.4
61.98829	9.9
70.67963	0.5
71.01374	3.0
71.34167	0.6
73.02946	19.6
74.68970	0.4
75.00858	1.1
79.95744	2.2
80.96518	0.8
83.01389	12.8
85.02958	1.0
87.00900	1.6
89.02462	0.9
95.95243	1.3
96.96019	73.8
99.00885	12.5
101.02450	1.7
103.00369	0.5
108.02185	0.6
109.02958	0.5
112.18016	0.5
113.02486	0.6
115.92094	0.5
127.00388	29.7
128.00716	0.9
142.99875	1.7
146.08231	0.5
170.99316	0.8
189.00427	34.8
190.00838	1.0
191.05568	1.2
197.11850	1.0
207.01477	5.3
241.00201	1.5
241.10736	2.4
256.99707	2.2
277.12329	1.3
328.32556	0.6
403.15994	0.8
465.14334	100.0
466.14606	11.8
466.20532	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.9
57.03447	4.4
57.59358	0.4
58.00583	0.5
59.01378	36.8
61.98832	41.2
65.64931	0.4
67.01892	1.3
70.78866	1.0
70.79235	0.6
71.01384	11.2
71.05026	1.9
72.99329	0.7
73.02950	15.3
75.00908	1.3
78.95921	3.0
81.03467	4.2
83.01394	10.5
83.05048	0.5
85.02962	1.9
87.00887	2.1
89.02454	12.3
95.01393	0.6
96.96040	3.4
96.96971	1.3
97.02972	0.6
99.00892	10.4
99.04529	25.6
99.92569	0.9
100.04860	0.9
101.02459	7.8
113.02467	4.6
115.04034	8.5
115.92101	1.0
116.92868	6.1
117.62138	0.4
119.03506	4.6
125.02464	100.0
125.06096	1.2
126.02801	3.2
127.00388	24.0
128.00751	0.9
131.03531	0.5
142.99861	1.9
143.03510	9.9
145.01450	1.2
146.08215	1.9
149.04561	1.1
149.09773	2.2
161.04535	2.3
162.41707	0.4
163.11256	0.8
167.07164	0.6
167.10802	3.1
170.99426	0.4
179.05643	3.6
181.12462	0.7
185.08171	0.6
187.02495	88.1
188.02835	2.9
189.00418	29.8
190.00839	1.0
190.05292	0.5
191.05624	2.0
192.01294	0.7
210.05566	0.5
219.85126	0.6
225.11388	0.7
225.14951	0.8
243.12410	3.9
248.03932	2.2
248.12875	0.8
277.12329	1.2
285.13455	1.3
292.02896	1.4
303.14481	4.2
304.14966	0.6
405.21304	21.3
406.21500	2.1
465.19965	6.7
466.07971	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1174
Annotation	Unknow
Peak:m/z	Relative Intensity
55.85740	0.3
57.03453	2.6
58.94950	0.3
59.01382	16.8
61.45048	0.3
61.98833	30.4
63.53730	0.3
63.99242	0.7
64.65349	0.3
71.01388	2.8
71.65430	0.4
72.99300	0.4
73.02956	6.5
78.95921	1.0
81.03462	1.0
83.01395	4.2
83.05056	0.5
85.02961	1.0
87.00900	0.8
89.02457	2.4
93.03445	0.4
96.96028	0.9
96.96963	1.1
99.00890	3.4
99.04521	2.2
101.02460	1.6
109.02969	0.5
113.02454	1.1
116.92861	0.7
119.03503	0.9
121.02939	1.0
123.08217	0.6
125.02475	2.7
125.06103	2.8
126.09270	0.7
127.00399	9.5
128.00700	0.4
129.09393	0.5
129.10390	0.5
134.07451	0.5
135.04501	0.4
141.01915	0.4
142.99890	0.4
143.03499	0.6
144.07997	0.5
148.01709	0.4
148.27203	0.3
160.69827	0.3
161.02440	1.0
161.04582	1.5
161.05994	0.4
162.06902	2.8
163.04062	1.0
163.11282	0.7
164.04791	2.3
164.10822	0.4
177.05594	0.4
179.05624	1.5
181.12347	0.4
187.02463	1.8
187.09492	0.4
189.00420	10.7
191.05627	2.2
191.07175	2.6
192.04288	7.9
193.04837	0.5
199.13441	1.2
205.05078	1.2
206.05800	3.2
207.06628	23.9
208.06998	1.4
221.04642	0.7
221.08226	4.1
222.08479	0.5
223.13396	0.5
225.11322	3.1
234.05322	0.9
238.04828	4.2
241.14499	0.5
243.12370	7.4
248.03932	0.4
248.12880	3.7
249.07680	5.0
250.07996	0.5
265.07269	0.9
267.08725	100.0
268.09036	7.0
268.11954	0.4
285.13306	1.2
292.02917	0.4
303.14514	1.9
304.15518	1.3
359.19238	0.6
375.06946	0.7
403.22351	0.4
405.21545	1.8
410.17908	0.7
447.18817	0.8
465.13083	0.6
465.19754	11.0
466.20474	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.1775
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.5
56.54086	0.2
57.03448	1.4
59.01377	20.3
61.98831	100.0
62.28196	0.3
63.17913	0.3
68.61556	0.3
69.88744	0.3
71.01385	2.7
71.47785	0.7
73.02947	6.0
74.02486	0.4
78.95909	3.7
83.01390	4.5
85.02969	1.2
87.00892	0.5
88.98808	0.4
89.02471	0.7
96.96028	1.3
99.00897	4.6
101.02464	1.3
102.45338	0.3
113.02484	1.0
114.72466	0.3
118.39145	0.4
125.88408	0.3
127.00399	9.5
128.03586	0.7
134.03764	0.3
134.06201	0.5
142.99911	0.6
143.04680	1.0
160.07692	0.8
161.04546	0.6
189.00421	9.3
191.05659	0.7
201.05617	1.0
241.92500	0.3
301.03101	0.4
310.08115	0.5
315.18311	2.1
354.18436	0.4
357.19461	0.9
400.51788	0.4
420.19214	0.9
464.09610	1.1
464.17810	0.5
464.27921	0.7
465.14633	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1038
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.9
55.59523	0.4
55.64217	0.4
57.03445	8.4
59.01376	4.5
61.98832	10.2
71.01380	4.8
73.02948	52.0
74.03277	0.8
75.00880	1.4
78.91891	8.3
83.01389	36.8
84.01732	0.6
87.00895	2.2
89.02451	1.1
93.03423	0.7
96.96005	2.3
99.00887	32.8
100.01207	0.6
101.02446	4.0
113.02434	0.5
113.92670	0.6
117.01958	1.4
127.00388	83.7
128.00717	2.5
130.03499	0.5
142.99886	5.3
145.01411	1.0
149.33582	0.4
170.99368	2.2
177.01929	1.2
180.31635	0.5
189.00415	100.0
190.00729	4.1
191.05606	2.6
197.92838	0.5
207.01529	2.5
317.57733	0.5
318.92630	0.5
321.15518	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1039
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28943	0.4
53.80518	0.4
54.19884	0.4
55.01875	3.4
57.03444	10.3
58.03781	0.5
59.00776	0.5
59.01374	4.4
59.60390	0.4
65.42956	0.4
68.43452	0.4
69.51741	1.8
69.52165	1.6
71.01377	5.6
72.99335	0.5
73.02946	60.0
74.03300	0.9
75.00870	0.9
75.35741	0.4
83.01392	37.8
84.01723	0.9
85.99487	0.4
86.44506	0.4
87.00896	2.6
90.99502	0.4
93.80932	0.4
99.00888	36.0
100.01224	1.1
101.02456	3.3
112.98826	0.5
117.01949	1.8
121.02977	1.0
127.00388	89.7
128.00711	2.3
132.38300	0.4
133.02972	0.5
134.03792	0.7
137.09732	1.0
142.99889	7.3
145.01457	1.9
147.83829	0.4
170.99384	1.9
183.04520	1.3
189.00427	100.0
190.00803	2.8
198.09537	0.5
199.07675	2.8
200.08154	0.5
216.27527	0.5
239.24379	0.4
243.06616	1.3
259.13354	1.8
277.78360	0.5
465.14041	8.2
466.14377	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.141
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08090	0.2
50.44827	0.2
51.54293	0.2
51.62732	0.2
52.55953	0.2
57.03455	0.2
59.01385	0.3
61.98832	100.0
68.78099	0.2
70.06953	0.6
71.01399	0.2
73.02939	1.1
83.01392	0.6
96.96038	0.7
98.19936	0.2
99.00903	0.8
101.02472	0.3
127.00410	1.9
155.08611	0.2
177.02101	0.2
188.40799	0.2
189.00418	2.9
284.11151	0.3
347.22366	0.2
397.30762	0.2
402.21152	0.2
404.15353	0.5
465.14252	1.0
483.40781	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.1774
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01893	0.1
57.03449	0.5
59.01376	4.4
60.96771	0.1
61.98829	100.0
62.98528	0.2
71.01389	1.3
71.68829	0.2
73.02945	2.7
78.95919	0.3
81.03474	0.5
83.01394	1.9
83.05023	0.1
85.02962	0.5
87.00900	0.4
88.98878	0.1
89.02446	1.1
93.03425	0.2
96.96027	0.4
96.96966	0.2
99.00882	1.8
99.04539	0.5
99.92604	0.3
101.02438	0.8
101.35754	0.1
107.05051	0.1
109.06611	0.1
113.02464	0.4
115.92094	0.2
116.92159	0.2
116.92867	0.9
117.92923	0.4
118.92736	0.1
119.03545	0.4
123.08146	0.1
125.02473	1.1
125.06121	0.5
127.00390	4.4
129.09210	0.1
129.32782	0.1
135.04485	0.2
142.99883	0.3
157.05110	0.2
161.02525	0.2
161.04625	0.3
163.11375	0.3
170.99323	0.1
179.03619	0.1
179.05664	0.5
185.08253	0.2
187.02539	0.5
189.00423	4.8
191.05634	2.3
192.99709	0.2
199.13437	0.3
201.01775	0.1
209.34505	0.1
225.11285	0.7
243.12357	2.0
267.08789	0.8
267.12189	0.3
285.13422	0.2
303.14603	0.4
315.13727	0.1
315.55029	0.1
342.17017	0.1
353.08762	0.2
375.07089	0.4
378.05402	0.1
404.19516	0.5
405.21277	0.3
414.86981	0.1
447.18439	0.1
464.18509	0.2
465.01523	0.2
465.14865	0.2
465.20001	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	463.0879
Annotation	Quercetin-3-O-beta-D-galactoside
Peak:m/z	Relative Intensity
59.01378	0.5
62.87311	0.3
63.02385	0.8
63.64484	0.3
64.57898	0.3
65.00324	1.5
70.73903	0.6
83.01380	0.6
91.01919	0.5
93.03458	0.5
97.84393	0.4
107.01389	2.6
108.02177	1.3
109.02962	1.7
121.02976	1.9
124.01745	0.4
124.58954	0.3
125.02473	0.4
135.00900	0.8
148.01680	1.6
151.00386	10.6
163.00417	2.4
163.04128	0.3
164.01137	0.8
169.01491	0.5
178.99870	6.8
183.04570	0.5
187.04004	0.4
192.00597	0.6
198.03186	0.6
199.04021	0.6
201.05595	0.4
203.03528	0.4
211.03909	1.1
213.01959	0.4
215.03468	0.4
216.04208	0.8
226.02779	1.7
227.03491	3.3
229.05078	0.4
243.02980	12.7
244.03427	1.3
245.04471	1.4
254.02254	2.8
255.02965	25.8
256.03409	2.0
271.02457	63.2
272.02899	7.3
273.03970	1.1
283.02481	0.8
299.01965	1.3
300.02747	100.0
301.03448	58.3
302.03845	4.7
343.04431	0.7
446.46594	0.4
463.08780	91.8
464.09119	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	463.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.5
56.47122	0.3
56.78008	0.3
57.03451	0.7
58.00600	0.7
59.01380	100.0
60.01719	1.0
61.98832	6.7
62.92638	0.4
64.51750	0.3
69.80210	2.2
71.01389	13.5
71.01785	0.7
71.05032	2.8
72.99322	1.1
73.02953	1.7
75.00880	10.6
83.01403	0.8
83.05060	0.5
85.02956	2.5
87.00896	1.4
89.02451	21.1
95.01408	0.9
95.05016	0.4
96.96010	2.1
99.04553	0.7
101.02454	8.4
107.03522	0.4
113.02460	6.9
119.03513	10.3
121.03045	0.3
126.26805	0.3
127.00402	0.7
131.03517	1.0
143.03539	2.2
149.02438	0.4
149.04616	1.1
150.03287	0.5
151.00551	0.3
161.04570	4.1
163.11337	0.4
176.01248	1.6
177.01942	8.1
178.02487	0.3
179.05632	14.2
180.05981	0.4
189.00452	0.4
193.05089	1.2
209.11835	5.5
215.09265	0.4
223.13420	2.8
227.12881	1.3
253.09338	0.8
258.44150	0.4
343.21170	0.5
363.07257	2.7
365.18225	0.8
381.08679	0.5
403.19736	20.1
404.20068	2.1
463.12515	1.7
463.21600	2.9
464.12750	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36806	0.6
55.01886	1.5
57.03447	1.9
58.00592	1.7
59.01378	84.3
61.98829	21.4
62.87210	0.5
70.27667	2.7
71.01383	38.5
72.99316	2.1
73.02950	7.2
75.00892	0.7
83.01387	4.2
85.02950	10.6
87.00900	2.2
89.02450	32.9
90.02777	0.8
94.98113	0.6
95.01418	2.0
96.96036	1.2
99.00900	2.4
99.92602	0.8
101.02452	30.6
102.02819	0.8
113.01729	1.3
113.02467	15.6
115.92115	1.2
116.92893	2.4
117.91988	0.5
117.92917	1.6
118.92703	1.7
119.03516	13.8
119.74265	0.6
125.02384	0.9
131.03587	0.7
135.10167	0.5
143.03545	4.4
149.04572	1.0
151.11345	1.2
153.09203	0.7
153.12936	0.9
159.03009	1.5
161.04568	12.9
162.04893	0.6
165.09239	1.0
175.11223	0.8
177.01964	1.7
179.05627	11.0
181.12308	0.9
189.00429	1.0
193.12312	0.8
194.12379	0.6
205.05013	1.6
205.12413	0.9
211.13420	3.0
213.68599	0.6
223.13379	1.3
241.14441	20.4
242.14806	1.1
245.12842	0.8
265.07132	5.5
287.60309	0.7
312.38480	0.8
320.18436	0.7
339.77545	0.6
365.19437	0.6
385.18597	3.1
403.19724	100.0
404.20123	10.9
463.54413	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01896	0.5
57.03435	0.9
58.00577	0.5
59.01379	100.0
60.01723	0.7
61.98829	2.3
69.45415	1.4
69.45834	1.9
71.01384	12.5
72.99324	1.1
73.02969	1.3
83.01409	0.6
85.02965	2.8
87.00891	2.4
87.34962	0.4
89.02454	15.5
93.03471	0.6
93.92001	0.4
95.01427	0.9
95.21028	0.4
96.96035	1.4
99.00906	0.6
101.02461	6.8
102.98590	0.5
106.56052	0.4
111.04576	0.5
113.02467	5.8
116.92883	0.4
118.98089	0.8
119.03513	6.1
120.99704	0.6
125.02485	0.7
131.03555	0.5
135.04536	1.5
143.03563	1.2
149.04573	0.8
151.04086	0.4
155.33218	0.4
161.04578	2.7
163.11266	0.5
179.05627	3.6
179.10847	0.5
185.73196	0.4
189.09264	1.2
191.05595	2.6
207.10249	1.0
221.11876	1.1
225.11522	0.6
239.12704	0.5
241.01575	0.4
247.11806	0.4
270.01590	0.9
271.02499	0.5
299.02170	0.7
299.18713	0.5
363.41522	0.5
417.09271	0.5
461.07584	1.2
461.18317	0.8
461.24576	2.5
462.08368	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.2
57.03437	3.7
58.00593	1.0
59.01377	100.0
60.01734	1.1
61.98828	1.3
70.85574	2.2
71.01382	29.7
71.01781	1.6
72.99310	1.8
73.02942	5.6
75.00856	1.3
81.03462	0.8
83.01397	2.1
85.02951	8.9
87.00890	1.6
89.02453	23.2
95.01392	2.4
95.05067	0.8
96.96018	3.5
97.02958	1.9
99.00879	2.6
101.02453	18.9
101.49695	0.8
113.02458	14.9
116.92876	1.7
119.03514	7.1
119.95938	0.8
121.06588	1.6
121.64876	0.8
122.03761	1.6
123.04529	2.9
124.05293	5.8
125.02455	1.4
125.06077	1.4
131.03510	1.3
135.04541	1.4
137.02428	1.1
137.06087	3.2
139.07666	41.2
140.07983	2.3
143.03528	2.5
149.04523	0.9
149.09695	1.2
151.07664	1.7
152.01242	1.1
153.09290	2.0
159.03001	1.6
161.04578	24.6
162.04907	1.5
167.03525	7.8
168.07928	21.7
169.08344	1.2
176.08466	1.3
177.73141	0.9
179.05565	3.9
179.10791	3.3
191.10788	24.3
192.11095	2.1
203.10747	1.0
209.11827	9.1
221.11856	13.9
222.12169	1.1
239.10442	1.8
239.12886	37.1
240.13239	2.3
261.48624	0.8
294.79340	1.0
371.17038	11.2
372.17496	1.3
387.78232	1.0
401.18173	66.8
402.18729	7.7
453.13272	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63405	0.6
55.01876	1.1
57.03447	2.3
58.00573	1.5
59.01378	100.0
60.01707	1.2
61.98833	3.2
69.48928	0.7
69.62889	2.8
69.63314	2.3
69.97842	0.6
71.01385	34.6
72.99343	0.8
73.02952	5.5
83.01412	2.2
85.02961	10.0
87.00888	1.7
89.02453	21.6
95.01380	1.9
96.96018	3.6
99.00908	2.3
101.02454	18.4
109.06610	0.9
113.02454	14.7
116.92815	0.9
119.03511	9.1
121.06628	1.8
122.03775	1.9
124.05303	4.6
125.06119	1.5
137.06108	3.0
139.07666	46.1
140.08038	2.0
143.03520	2.7
149.09711	1.7
151.07719	1.4
153.09235	3.0
159.03009	2.2
161.04576	25.6
162.05092	0.7
163.07733	1.4
165.09250	1.4
168.07935	23.1
169.08586	1.0
173.09747	1.2
175.07654	1.3
179.05602	4.4
179.10823	1.6
191.10791	23.6
192.11136	1.9
202.11383	0.8
209.11810	9.8
212.08096	0.8
221.11850	16.6
222.12286	1.0
239.12894	39.3
240.13293	3.1
279.41159	0.8
352.11633	0.9
371.17114	9.3
390.28159	0.8
401.18185	66.4
402.18481	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.297
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01362	21.4
61.98833	42.1
64.86745	4.1
65.87197	4.0
70.90874	5.8
70.91238	13.0
71.01380	24.4
73.02949	5.1
89.02469	17.1
97.13391	4.0
99.85371	4.6
101.02483	12.4
116.92834	9.6
121.23801	4.0
141.63181	4.5
142.67662	4.3
181.07195	100.0
193.23062	5.0
225.19162	4.0
247.61113	4.4
277.10953	6.8
277.21649	10.5
459.27707	42.3
460.27609	5.2
467.01505	5.9
470.42798	4.9
481.85303	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	460.1824
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81395	0.3
59.01377	1.6
61.98830	100.0
71.72205	0.3
71.72678	0.6
78.39748	0.3
122.51183	0.4
126.54019	0.3
132.53445	0.3
134.03726	0.7
145.02960	0.8
152.99702	0.4
160.01668	0.5
161.02553	0.4
162.75702	0.3
165.26457	0.3
174.01651	0.4
175.03963	1.7
221.85341	0.3
277.21988	0.3
279.23349	0.3
279.50620	0.4
325.45447	0.4
400.69440	0.4
460.27902	1.3
461.25204	1.9
465.62146	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	1.2
61.98828	100.0
62.27171	0.4
68.09055	0.4
69.48476	1.9
69.48905	1.5
73.07233	0.4
75.30350	0.4
78.95907	0.4
81.68431	0.4
81.90292	0.4
98.18770	0.4
116.92894	0.5
117.92864	0.4
134.03773	0.4
143.99260	0.4
145.02933	0.4
175.04138	0.4
181.04793	0.4
411.69067	0.4
460.28149	0.9
461.25629	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
57.81600	0.2
59.01372	0.4
61.98830	100.0
71.67280	0.2
87.09748	0.2
88.94206	0.2
110.22747	0.2
145.03000	0.5
303.62878	0.2
313.79984	0.2
460.28079	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54071	0.5
59.01387	1.0
61.98831	100.0
71.06769	1.0
71.06882	0.4
78.95913	1.2
130.43452	0.5
151.11612	0.5
152.99663	0.5
161.35461	0.6
207.10365	0.6
256.80948	0.5
277.22000	0.7
278.22180	1.5
284.63690	0.6
341.85526	0.6
460.28186	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.0723
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10321	0.2
55.01862	0.2
57.03447	1.8
58.00598	0.2
59.01378	7.7
61.98825	0.8
63.02399	0.7
65.00332	0.5
67.01900	0.6
68.99810	0.3
71.01385	7.5
72.99323	1.1
73.02950	0.7
75.00878	2.4
76.81519	0.2
82.32897	0.2
83.01394	1.1
84.02178	0.3
85.02955	9.3
86.03268	0.2
87.00880	2.0
89.02454	1.5
91.01880	0.4
93.03456	2.2
95.01403	2.6
95.97424	0.2
96.00958	0.2
96.96011	2.3
99.00894	3.7
99.04532	0.6
99.92613	0.5
101.02458	1.1
101.03033	0.2
103.00387	1.8
107.01391	2.1
109.02962	0.8
111.00890	0.3
113.02460	14.9
114.02778	0.4
115.00385	0.9
115.92072	0.8
116.92883	0.4
117.01940	0.9
117.03436	0.5
118.98131	0.5
119.01441	0.4
123.00910	0.2
123.04564	0.2
125.02451	0.3
129.01985	0.9
130.04274	0.4
131.05092	0.3
133.02972	0.2
135.00000	0.2
135.00824	0.9
137.02440	0.3
139.00395	0.2
141.07204	0.3
143.05054	1.6
145.02957	0.4
145.06602	0.4
146.06993	0.2
147.04526	0.2
151.00327	1.2
151.07646	0.3
153.01945	0.8
154.04271	0.5
155.05019	0.6
156.05804	0.3
157.01399	0.4
157.03033	0.2
157.06654	1.1
158.03746	0.3
159.04543	1.7
161.02435	0.3
161.04514	0.2
163.00389	2.1
164.01064	0.3
164.07138	0.4
165.01920	0.5
167.05013	0.7
169.01437	0.5
169.06599	1.1
171.04547	1.1
173.02415	0.4
173.06068	0.4
174.03142	0.2
175.02495	3.7
183.04553	0.8
184.05380	0.3
185.06100	2.8
187.04018	4.2
189.05585	1.3
195.04546	0.7
196.05261	0.5
197.06059	0.7
198.03276	0.4
199.03925	0.9
201.05542	0.7
211.03983	2.0
212.04694	0.4
213.05550	2.0
214.02730	0.6
215.03528	0.5
223.04001	0.4
225.11255	0.3
227.03491	2.9
228.03897	0.2
229.05046	12.0
230.05490	1.0
239.03444	1.5
239.12939	0.2
240.04181	0.7
241.01445	1.1
241.05000	1.5
242.01871	0.3
243.02985	0.7
245.00946	0.5
255.03012	1.6
256.03729	1.0
257.04535	7.1
258.04855	0.5
263.12823	0.5
267.02969	1.0
270.01608	0.9
271.02271	0.6
283.02625	0.2
284.03217	0.8
285.04031	100.0
286.04382	8.7
298.01236	0.3
299.02026	1.0
299.18585	0.4
358.69012	0.2
397.19214	0.2
461.07214	7.6
461.24973	1.5
462.07327	1.0
462.23813	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3173
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
61.98822	2.9
71.52272	1.9
97.80206	0.9
130.17903	0.9
237.10742	0.9
279.23276	17.6
280.23700	1.8
370.34705	1.7
371.35129	7.0
457.26004	1.5
457.39407	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	458.2758
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28252	0.4
59.01369	2.3
61.01791	0.5
61.98830	100.0
62.32586	0.4
64.93134	0.4
70.20785	2.2
77.13584	0.4
98.19929	0.4
116.92838	0.5
125.06059	0.6
128.57835	0.4
199.30339	0.4
207.67796	0.4
240.45419	0.5
386.61774	0.5
459.27530	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1356
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	0.4
59.51353	0.3
61.98842	0.4
69.47486	0.3
70.02048	1.3
71.01394	0.7
73.02949	37.9
74.03284	0.6
86.32025	0.3
99.00890	4.8
115.00361	1.7
116.00732	0.4
116.97291	2.9
117.01955	100.0
118.02289	2.4
118.05108	0.7
341.11038	0.4
389.27753	0.3
399.06497	0.4
456.96030	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1357
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.3
61.98829	0.2
67.68137	0.2
70.82800	0.4
70.83167	0.3
71.01381	0.9
73.02950	39.9
73.26988	0.2
74.03284	0.7
75.00864	0.2
76.24228	0.2
78.95936	0.2
83.39471	0.2
92.96019	0.3
99.00893	5.3
99.92576	0.8
110.09235	0.2
115.00388	2.6
116.92882	9.9
117.01955	100.0
117.92874	0.5
118.02287	2.3
118.05113	0.3
150.04257	0.3
156.26886	0.2
172.18797	0.2
178.76515	0.2
221.01254	0.2
230.07018	0.2
241.08919	0.2
282.08472	0.4
296.15762	0.2
341.10815	0.2
459.27805	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1872
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.5
57.03442	2.2
58.02966	5.9
59.01380	100.0
60.01701	1.2
61.98829	10.3
71.01382	32.3
71.57669	2.1
72.99293	1.5
73.02951	21.4
74.02482	15.5
75.00879	2.1
78.34488	1.3
82.03014	1.3
83.01390	7.7
83.05033	1.7
83.92959	1.2
84.04456	1.3
85.02965	11.9
86.02456	6.4
87.00912	1.6
87.05630	3.9
89.02454	8.2
90.00200	1.4
95.01413	2.0
96.96020	2.2
97.02994	2.5
97.06593	1.2
99.00889	2.6
99.05651	13.9
99.92584	2.2
101.02458	32.1
101.07232	1.7
102.05597	3.0
109.04115	1.8
113.02477	15.4
113.03230	2.1
116.92882	17.6
119.03487	3.7
120.42274	1.2
120.99689	1.6
123.05672	1.6
125.02452	1.5
125.03548	1.7
125.06069	2.8
127.05125	1.9
128.03549	31.0
131.03453	1.6
135.05640	2.0
141.06668	3.5
143.03668	2.2
143.04633	50.0
144.00029	1.2
145.06245	2.2
146.04622	2.6
149.04584	2.4
153.06720	3.3
159.03041	1.9
160.00760	12.7
161.04599	9.0
166.09865	2.2
167.04633	4.3
167.08209	1.6
171.07784	1.6
177.02014	1.3
177.03387	4.9
179.04625	8.0
181.06224	2.1
185.05759	2.0
191.05577	3.5
203.05411	1.4
210.08868	8.7
211.09695	2.4
237.15059	2.7
247.09885	1.5
249.11246	1.6
254.07861	14.1
255.19579	1.6
272.08847	23.7
288.06558	10.0
306.07648	98.0
308.88156	1.3
329.19632	10.4
399.23700	1.4
415.19684	19.3
416.19943	2.6
459.22458	4.0
459.28256	11.2
460.28448	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2962
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61635	3.1
59.01379	100.0
61.98829	36.4
67.50578	2.7
70.42445	6.2
71.01385	84.0
72.99313	7.2
85.02981	3.8
85.49624	3.1
87.00896	4.3
89.02457	99.3
95.01415	4.8
98.19957	3.3
101.02444	30.4
101.02946	2.9
103.92040	4.7
104.92825	15.5
107.05074	4.2
113.02463	21.8
116.92880	6.1
119.03502	20.5
125.06142	3.7
129.13626	3.0
131.03514	4.1
143.03549	4.9
161.04594	7.5
163.11253	15.4
179.05600	31.0
247.53087	3.2
279.23312	88.3
280.23685	8.7
283.17038	11.2
378.67429	3.4
416.16293	4.6
459.18744	20.3
459.27515	27.1
460.19073	4.0
460.27719	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	457.1829
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08476	0.3
53.11930	0.3
59.01381	2.7
61.98831	100.0
69.31654	0.3
71.01382	1.8
71.07554	0.9
73.02975	0.4
81.03467	1.0
89.02461	2.1
92.70613	0.3
95.05049	0.4
96.96022	0.6
99.00903	0.5
99.04538	0.7
101.02499	0.8
113.80399	0.3
114.93462	0.7
115.00412	1.9
116.07200	0.4
116.92895	0.9
119.05095	0.5
123.04510	0.4
125.02484	1.9
130.08780	0.5
131.03587	0.4
135.04544	0.7
137.02457	0.5
140.13437	0.3
149.04546	0.9
157.13411	0.3
163.04137	0.4
167.03523	5.6
179.03609	1.0
179.14549	0.3
197.04608	1.2
239.83731	0.3
250.65581	0.4
251.05620	2.0
259.26498	0.4
457.25513	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2804
Annotation	Unknow
Peak:m/z	Relative Intensity
55.24203	1.5
58.00582	4.1
59.01377	77.2
61.98832	19.5
69.59748	2.2
69.60149	10.9
71.01385	78.8
72.01699	1.6
72.99302	6.0
75.48882	1.5
85.02967	10.1
87.00867	4.1
89.02451	100.0
92.05058	4.1
95.01402	3.4
101.02457	18.4
104.92797	8.2
113.02463	20.5
119.03513	17.0
131.03505	3.5
136.86296	1.6
143.03497	6.1
146.62566	1.6
149.04570	3.2
161.04587	8.5
179.05605	30.2
228.17497	2.0
229.99689	1.4
242.19119	2.2
243.19545	2.8
255.43184	1.5
270.34598	1.4
271.22678	2.2
277.21735	62.2
278.22031	5.9
279.84070	1.7
336.59482	1.5
359.21844	2.5
370.34802	24.3
371.30722	2.8
371.35150	46.6
372.35715	2.9
456.35898	13.0
457.25772	2.9
457.35352	55.8
458.36496	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	457.1202
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	0.9
60.20143	0.1
61.98827	0.3
71.01388	30.7
72.01723	0.5
75.31989	0.1
87.00903	0.2
89.02456	1.3
101.02443	0.3
112.89669	0.5
113.02497	0.5
114.89454	0.9
115.00392	100.0
116.00729	1.9
119.03504	0.5
127.99096	0.1
140.84186	0.1
161.04628	0.2
179.05656	0.8
197.04713	0.1
341.06778	0.2
341.10907	4.5
342.11221	0.3
457.12085	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1198
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	1.9
68.99576	1.0
69.71988	2.6
71.01385	33.6
86.74688	0.5
87.80515	0.5
89.02454	2.6
93.06171	0.5
112.98678	0.9
113.02403	1.0
113.84782	0.7
115.00388	100.0
116.00707	2.6
119.03464	0.8
128.12735	0.6
130.08751	1.4
133.01480	0.6
133.68744	0.6
135.04601	0.7
150.04240	0.5
179.05577	1.1
187.68123	0.6
246.45250	0.5
250.60660	0.6
313.23056	0.6
326.07437	1.1
335.81177	0.6
341.10928	5.4
351.10355	0.6
359.14703	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1383
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27160	0.6
59.01377	11.4
61.98829	1.4
64.01103	0.5
71.01381	2.2
71.39629	1.0
73.02956	1.3
78.95906	1.7
79.95754	1.9
80.96525	1.5
85.02993	0.8
96.96021	100.0
101.02454	1.7
117.74916	0.6
130.87495	0.5
134.49155	0.6
138.97052	0.7
145.06230	1.1
154.06229	0.6
230.02171	0.8
283.12543	0.6
326.47928	0.6
353.12708	2.0
364.57916	0.7
369.12283	3.6
371.13806	78.1
372.14096	6.0
413.14868	61.2
414.15186	6.1
439.12256	1.6
457.13406	23.9
457.24402	1.2
458.13956	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98684	0.3
55.01883	1.7
56.99818	0.5
57.03446	26.4
58.00594	3.6
59.01377	72.2
60.01710	0.8
62.22794	0.3
69.03455	7.7
70.01099	0.7
70.01514	1.2
71.01382	75.2
72.01727	1.8
72.99310	3.7
73.02950	9.8
73.03362	0.5
75.00877	3.6
81.03461	4.2
83.01392	5.3
83.05087	0.3
85.02960	8.1
87.00869	1.7
88.04043	0.3
89.02450	100.0
90.02798	1.4
95.01400	2.6
97.02953	12.7
99.00890	17.5
99.04517	2.2
100.01316	0.4
101.02451	16.7
106.99628	0.4
107.01346	0.4
109.02958	0.9
109.53685	0.3
111.00896	2.2
113.02467	8.8
114.93346	0.5
115.00385	0.5
115.04020	7.4
117.01950	0.4
119.03513	2.8
123.00932	0.4
125.02459	49.5
126.02800	1.9
127.04010	1.5
130.39038	0.3
131.03514	11.0
131.04495	0.6
132.13196	0.4
133.05083	0.7
135.04514	2.4
143.03506	4.1
146.03711	0.5
148.94341	0.4
149.04564	15.8
150.04900	0.6
155.03510	0.6
157.05060	0.4
161.02441	1.2
161.04596	2.3
161.23683	0.4
163.07658	15.0
164.04762	0.8
164.07982	0.6
168.04832	0.4
169.01382	0.9
173.04582	1.2
175.06096	0.6
179.03513	2.7
179.07138	1.5
191.05611	10.0
215.05644	0.8
226.57315	0.3
233.06653	40.3
234.06967	2.2
264.94785	0.3
293.08762	53.0
294.09094	2.8
323.07559	0.5
323.24539	0.4
341.08679	0.5
428.62619	0.3
457.12878	0.9
457.26575	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1716
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11594	0.9
57.03446	4.6
58.08367	0.7
58.35246	0.8
59.01378	100.0
61.98826	4.2
70.00419	3.8
71.01377	8.6
72.99308	5.2
73.02954	2.9
75.00863	7.8
78.95915	2.5
83.01431	1.3
85.02969	2.2
87.00894	3.2
88.04047	1.5
88.98826	4.6
89.02441	3.8
94.67947	0.7
96.96037	3.3
99.00890	1.7
99.04503	1.2
101.02459	7.3
103.88014	0.7
107.05074	1.1
113.02458	3.6
115.00404	3.1
115.04060	1.0
116.92870	0.8
117.03491	1.7
118.61049	0.7
119.05072	3.7
120.99577	0.8
123.04530	0.7
125.02500	1.5
127.00394	1.4
129.01930	0.8
129.10420	0.9
130.08713	1.9
132.02184	1.7
133.02980	12.2
133.05083	34.5
133.06674	1.5
134.03798	1.3
134.05457	1.4
135.04543	17.1
136.04990	0.8
139.02281	0.7
147.04642	1.0
149.06120	1.0
151.04080	1.4
159.03107	1.1
159.04556	1.3
159.08221	3.2
160.01672	5.3
161.02460	76.1
161.04626	4.0
162.02768	4.9
163.04036	2.9
163.07675	1.1
165.05588	1.5
175.04025	2.0
177.05611	2.8
177.09230	2.7
179.03508	17.4
180.03851	0.9
189.00403	0.9
189.09201	1.0
191.03671	3.7
191.05418	3.5
193.05054	1.0
217.08670	5.9
219.06917	0.9
221.08179	0.7
229.14427	4.2
235.06143	9.9
235.09714	16.5
236.10172	1.4
295.08371	2.7
297.09650	0.9
307.11801	1.3
323.07715	56.3
323.24689	2.2
324.08087	5.0
339.11026	2.4
341.08777	11.2
341.25546	1.0
342.23901	1.6
371.10364	2.0
379.14020	8.8
380.14209	1.2
397.15045	63.1
398.15408	5.7
413.11249	3.0
413.27972	0.9
457.13263	15.1
457.26273	6.4
458.13843	1.7
458.19528	1.8
458.26645	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.1724
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	17.1
59.01378	23.6
60.01721	0.3
61.98829	100.0
62.98527	0.4
67.01879	0.8
69.49529	1.4
69.49967	1.4
71.01379	4.0
71.36203	0.3
73.02955	1.3
78.95939	0.4
81.05630	0.3
83.01409	0.9
85.02977	1.4
87.00900	0.4
89.02464	1.1
95.01428	0.5
96.96012	0.5
99.00893	0.5
99.04526	17.4
101.02454	8.9
113.02447	1.7
125.02454	5.7
128.03551	0.8
129.60751	0.3
130.08781	1.1
143.03522	0.9
149.06099	4.1
151.04041	1.0
161.04610	1.5
171.07759	0.3
175.07683	1.8
176.08052	1.9
187.13388	0.4
189.05556	0.4
202.40247	0.3
215.59747	0.3
233.04218	0.8
249.05452	0.5
249.13364	4.7
276.09531	0.5
291.14529	2.3
293.10028	0.9
294.10873	0.8
307.17688	0.8
331.17682	1.0
349.18677	1.1
372.13821	0.6
393.17651	11.4
393.92691	0.3
394.18130	1.2
396.10049	0.6
407.04269	0.3
422.22946	1.1
439.25375	0.4
456.15930	7.8
456.22119	0.6
456.36533	0.4
457.16776	1.4
457.26282	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.099
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54465	0.3
57.03436	0.4
59.01384	2.7
61.98829	1.1
68.82560	0.3
69.03426	0.3
71.01385	6.7
71.65727	0.4
72.00914	0.4
72.99342	0.5
73.02951	0.6
74.02464	0.4
81.03457	1.0
83.01387	0.5
87.00877	0.3
88.98819	1.3
89.02467	1.0
93.03433	0.4
96.96019	0.6
99.00901	0.4
99.04543	0.9
99.92608	1.3
101.02461	0.7
105.01974	0.3
113.02487	0.4
113.03613	0.3
113.85986	0.4
114.93423	0.7
115.00390	7.2
116.00760	0.3
116.92873	19.1
117.92903	1.2
118.05085	0.4
119.05100	0.7
123.04498	0.5
125.02441	1.8
128.03563	1.1
131.04631	0.3
133.01453	12.1
133.03015	0.8
133.05115	0.5
134.03772	1.3
135.04546	81.0
136.04854	3.8
137.02451	1.5
146.08260	1.3
161.02478	2.1
163.04028	0.5
167.03532	6.6
173.06104	0.4
177.01938	0.5
179.03517	100.0
180.03845	5.0
189.00430	0.4
197.04536	1.2
219.01366	0.3
251.05573	1.5
273.69379	0.3
277.12228	1.5
323.07800	1.0
341.08786	57.8
342.09198	5.2
421.17007	0.4
457.18475	0.6
457.25687	1.0
458.22202	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.0987
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	2.0
59.01377	1.5
61.03572	0.3
61.98831	4.2
64.41658	0.3
68.99807	0.5
69.03458	0.5
69.16122	0.3
71.01390	0.7
71.05026	1.2
71.37302	0.5
73.02959	0.5
78.95914	0.4
79.60808	0.3
80.92612	0.3
81.03466	13.2
83.01382	3.2
89.02450	0.4
93.03479	0.5
94.22366	0.3
95.01418	0.6
95.05036	5.6
96.96024	0.5
96.96944	0.6
97.02959	4.0
99.04529	12.0
99.92601	1.1
103.00334	0.3
109.02948	0.7
111.04550	1.5
114.20206	0.3
116.92873	13.1
117.92870	0.7
119.05051	1.3
123.04539	6.1
124.04943	0.3
125.02464	28.3
126.02798	0.9
128.03554	0.5
133.05092	1.0
135.04552	0.9
137.02461	4.7
139.04005	3.1
147.04620	0.4
149.02441	0.8
151.04060	0.4
159.06834	0.3
161.02493	0.7
163.04045	1.0
164.01115	0.4
165.01891	0.6
165.05606	0.6
167.03511	100.0
168.03844	3.5
179.03548	2.5
185.51537	0.3
193.05014	0.6
197.04570	19.1
198.04909	1.0
209.04550	2.2
251.05603	28.1
252.05901	2.2
263.05576	0.4
269.06586	0.4
281.06668	5.5
287.07712	1.3
289.55743	0.3
311.08008	0.4
329.08771	3.0
371.10034	1.9
413.10913	1.9
440.21512	0.6
452.96796	0.3
457.13550	1.2
457.26538	0.6
458.13541	0.4
466.48462	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.156
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41837	0.1
55.01883	0.7
57.03448	1.1
58.00590	0.5
58.65782	0.1
59.01379	13.4
60.01727	0.1
61.98823	1.3
67.01890	9.2
68.02229	0.2
70.17938	0.1
71.01386	9.8
71.66570	0.2
72.01726	0.1
72.99316	1.0
73.02946	1.5
75.00873	0.2
79.05519	0.1
81.03463	0.3
83.01385	1.3
83.30762	0.1
85.02954	4.0
87.00885	0.5
89.02454	5.8
93.03489	0.2
95.01401	0.9
95.05042	0.8
96.96040	0.2
99.00900	0.6
101.02456	5.8
107.01395	0.2
107.05035	1.0
113.02460	2.8
119.03513	1.7
119.08694	0.6
123.04525	0.2
127.00409	0.1
129.07108	0.2
131.08678	3.8
132.08974	0.2
133.06631	0.3
134.03763	0.4
135.04591	0.2
145.06596	0.3
147.04562	0.2
147.08154	0.2
148.05341	0.3
149.06076	1.0
157.06590	0.2
159.11855	0.2
161.02463	0.2
161.04625	0.4
161.06108	2.1
162.06871	1.0
163.07664	3.9
165.38406	0.1
173.06078	0.9
175.04140	1.1
175.07655	49.0
176.07994	2.9
185.06075	0.3
185.09705	0.1
188.04796	0.3
189.05618	1.4
189.09215	0.5
191.07144	1.2
192.04321	0.2
193.05083	0.3
197.06145	0.2
198.06952	0.3
201.05583	1.0
201.09200	2.3
202.09526	0.2
203.07153	0.2
203.08995	0.3
203.10780	3.3
204.11089	0.2
205.05070	1.0
206.05800	0.6
207.06644	3.9
208.06941	0.2
212.04604	0.2
213.05806	0.2
213.09204	3.2
214.09454	0.2
215.07217	0.2
217.05042	2.0
218.05603	0.2
219.06619	8.3
220.06940	0.4
229.08734	0.2
230.05830	0.3
230.09402	0.2
231.06543	0.6
231.10251	5.8
232.03734	0.2
232.07492	0.2
232.10606	0.4
233.08192	0.4
235.06134	1.2
238.04842	1.3
239.07129	0.2
241.05125	0.4
245.08253	0.6
246.08850	0.2
247.09769	1.4
249.11276	2.8
256.07327	0.2
257.08142	0.8
260.06601	0.2
263.09262	1.6
274.08420	1.5
275.09238	9.6
276.09552	0.7
277.10870	0.2
293.10297	2.4
307.11807	0.2
352.91873	0.1
354.58716	0.1
411.16638	1.1
425.01486	0.1
437.14484	0.7
455.15558	100.0
456.15900	13.6
456.29413	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
55.50776	0.3
56.78235	0.3
58.00586	1.5
59.01377	31.6
61.98833	2.3
67.98679	0.3
69.03466	0.7
71.01382	31.4
71.70993	0.5
72.01719	0.4
72.99305	1.5
73.02946	13.1
73.03360	0.7
75.00830	0.3
78.95902	6.4
83.01386	0.8
85.02955	2.1
87.00871	0.7
87.75269	0.3
88.98809	0.6
89.02448	62.0
90.02804	0.9
95.01440	0.3
96.96027	1.6
96.96963	8.4
97.02969	0.7
99.00886	33.3
99.04491	0.5
99.08183	0.6
99.16517	0.3
100.01228	0.4
101.02448	17.2
102.02795	0.5
112.67569	0.3
113.02464	2.6
114.87247	0.3
116.07214	0.5
116.92844	0.5
119.03514	1.4
119.04971	0.3
125.02451	3.0
127.00373	0.5
128.03555	1.2
130.08748	0.4
131.03523	7.9
143.03569	0.4
143.07173	0.4
145.57396	0.4
149.04565	17.5
161.04578	1.4
161.08226	1.2
180.77519	0.3
189.00423	0.4
191.05617	9.3
195.06577	0.3
199.00108	0.9
213.01669	0.9
213.12509	0.8
221.06587	0.7
233.02162	0.5
251.07700	1.1
252.76820	0.3
293.10318	0.5
316.49582	0.4
388.17059	0.4
455.17630	100.0
456.17996	11.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3014
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53795	0.2
53.55779	0.3
55.48724	0.4
58.23923	0.3
59.01378	100.0
60.01724	1.0
61.98829	1.7
62.88955	0.3
81.56414	0.4
101.27121	0.3
116.46834	0.3
155.70201	0.3
277.21710	17.4
278.22049	1.7
342.86526	0.3
421.64563	0.3
455.35428	2.8
456.35358	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.0285
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19063	0.2
54.29925	0.2
55.01867	0.4
57.03450	0.4
59.01380	6.2
61.98831	2.6
62.65989	0.2
71.01012	0.3
71.01385	5.3
71.57240	0.4
72.99323	0.4
73.02948	1.9
75.00880	0.3
75.61679	0.2
78.95906	0.7
83.01402	1.2
85.02948	2.9
87.00884	1.5
89.02448	2.0
95.01405	0.3
95.82812	0.2
96.96011	1.3
96.96973	0.9
98.95614	0.5
99.00897	1.1
99.92590	11.4
100.92654	0.5
100.93393	1.1
101.02450	4.7
103.00359	0.6
107.05035	0.3
111.00888	0.5
113.02454	2.2
114.93390	0.2
115.91251	0.6
115.92090	23.0
116.92870	100.0
117.92884	6.0
119.03518	0.7
127.00396	0.3
129.01941	0.2
140.92886	0.5
141.93697	1.0
142.94426	0.7
143.03490	0.3
152.99559	0.5
156.92386	0.5
158.93881	0.3
159.02911	0.3
159.08585	0.4
161.04559	1.2
165.04024	0.3
170.94008	0.3
173.06049	0.3
184.91832	1.3
186.93333	0.3
187.04202	0.3
191.05649	0.2
191.07233	0.3
196.95544	0.3
202.93233	0.2
203.07115	0.8
205.12671	5.7
227.12872	1.9
238.89922	0.2
244.97646	0.3
251.00124	0.3
284.97150	0.2
315.56317	0.2
333.00739	0.8
337.03784	0.3
351.01788	2.8
352.02423	0.4
367.17960	4.4
369.02808	3.3
370.02994	0.4
381.02982	0.6
393.02850	1.4
409.11349	1.4
411.03851	3.6
412.04172	0.8
419.00763	1.2
420.00980	0.3
455.02832	10.8
455.19641	29.5
455.35324	0.7
456.03036	2.0
456.20117	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	455.1226
Annotation	Unknow
Peak:m/z	Relative Intensity
55.94487	0.2
59.01098	0.3
59.01380	4.1
60.34439	0.2
61.98825	1.3
68.99820	0.5
69.63182	1.7
71.01389	1.1
72.99307	0.2
73.02949	0.6
78.95900	0.3
79.95740	1.4
80.96522	0.4
83.05044	0.2
85.02950	0.5
95.95257	0.3
96.96024	100.0
97.95979	0.4
99.00903	0.5
101.02460	0.7
103.00375	0.4
109.01678	0.2
113.02447	0.4
138.97075	0.2
139.03947	0.2
164.98724	0.2
170.33458	0.2
179.03554	0.3
206.99832	0.3
241.00374	0.2
249.00836	0.3
256.99692	4.0
299.00754	1.4
351.11221	0.3
369.12256	33.3
370.12616	2.8
396.22052	0.2
411.13312	30.2
412.13623	3.0
437.11340	0.7
455.12280	12.6
455.35345	0.8
456.12888	1.6
456.23898	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	455.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	1.1
58.00586	1.7
59.01380	28.2
61.98829	7.6
71.01383	14.3
71.01783	0.6
72.99311	1.2
73.02952	1.5
74.91986	0.4
78.95906	4.3
79.05540	0.5
81.03461	2.7
83.01414	2.1
83.05019	0.4
85.02976	3.7
87.00887	0.9
89.02449	13.6
95.01395	1.0
96.95999	1.0
96.96976	1.1
99.00892	0.9
101.02462	7.6
107.05053	2.3
113.02467	4.1
119.03514	4.0
123.04563	0.4
125.02458	0.4
127.00366	0.7
135.04514	0.6
143.03635	0.5
145.10240	0.6
149.06085	8.6
149.85789	0.4
152.99576	1.1
157.06609	0.5
161.04555	0.5
165.56526	0.3
165.86530	0.4
166.40672	0.5
171.08202	0.9
173.06183	0.5
175.04048	0.4
179.05643	1.2
185.06073	0.5
187.07675	1.1
189.09232	22.8
190.09567	1.1
190.62231	0.4
191.07172	5.6
192.07512	0.5
198.06934	0.6
207.10335	0.7
209.11848	2.1
213.05612	29.4
213.09180	24.1
214.05936	2.8
214.09544	1.6
215.07190	0.5
219.58119	0.4
231.10265	22.6
232.10529	2.0
249.11372	3.8
251.09280	1.4
257.08188	100.0
258.08514	8.8
263.14874	0.7
271.15869	0.5
275.09134	2.1
278.55362	0.4
293.10321	0.7
357.08975	1.3
395.19537	1.9
411.16846	0.9
437.14554	1.3
442.15128	0.4
455.15594	84.4
456.15900	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	453.1666
Annotation	Kopsinarine
Peak:m/z	Relative Intensity
55.43069	0.3
57.03438	0.4
59.01381	3.9
61.98829	3.6
69.93560	0.4
71.01385	1.0
71.08003	0.9
73.02942	0.7
79.95725	1.2
81.95338	1.0
89.02439	0.7
93.03501	0.4
95.05023	2.3
96.95386	0.7
96.96021	14.5
97.95930	0.5
98.95600	19.0
98.96422	3.1
99.00788	0.4
101.02456	0.7
103.88385	0.4
107.05000	0.5
110.06116	0.8
113.02477	0.6
120.99641	0.4
122.06150	2.1
134.03706	0.5
137.06084	0.4
144.20064	0.3
145.01392	0.3
148.05299	0.4
149.06126	0.6
159.11813	0.7
161.04707	0.5
161.06052	0.5
162.06868	1.4
173.02489	0.4
173.06079	0.4
174.05566	0.6
175.07713	0.4
185.09689	0.5
189.05598	1.7
193.05034	0.4
196.07637	0.7
203.07153	1.9
203.10768	5.3
206.05898	0.9
210.09183	2.4
211.07745	0.4
211.09737	0.4
217.05063	0.8
224.10782	2.3
225.11562	7.0
226.08742	1.0
226.12222	1.2
228.10263	1.1
229.08530	0.5
238.04794	2.6
239.09528	2.1
240.06668	0.5
240.10109	0.6
242.99847	0.5
247.09744	56.5
248.10097	4.6
254.08209	8.2
255.08635	0.6
256.09854	0.7
257.10583	8.2
258.10846	0.5
258.99289	0.9
268.09830	2.1
269.07785	0.7
269.10550	7.9
269.13422	0.4
270.11017	1.0
280.49255	0.4
283.04755	0.4
291.08734	24.6
292.09082	2.0
301.09570	5.3
302.09628	0.4
313.09506	0.9
335.17670	6.5
336.17972	0.8
347.17615	10.9
348.18045	1.2
365.18723	5.1
366.19028	0.6
379.16724	1.0
391.16675	2.6
409.17700	5.3
410.17950	0.6
435.15692	0.9
453.16571	100.0
454.16876	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	453.1802
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26486	0.3
57.03442	0.4
58.99596	0.8
59.01379	6.6
61.00497	0.3
61.98832	10.2
63.50614	0.3
69.55563	1.9
69.55975	0.5
71.01380	3.4
72.99336	0.4
73.02940	0.9
75.00898	0.3
79.95763	0.3
83.01429	0.4
85.02959	1.0
87.00896	1.2
89.02453	1.8
96.96021	6.4
98.95615	3.4
98.96450	0.7
99.00940	0.4
101.02460	1.8
102.98597	2.6
102.99096	0.3
106.67961	0.3
113.02471	1.0
119.03485	0.3
120.99675	100.0
122.00056	1.4
125.02470	0.5
161.04645	0.3
223.10602	0.3
247.09821	1.1
248.34120	0.3
273.11578	0.7
283.04984	2.5
291.08838	0.4
453.16519	9.1
453.30023	0.5
454.16141	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.2626
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63192	20.0
52.68413	18.3
59.01380	26.2
61.98825	50.1
71.62899	25.5
78.95877	23.1
162.49077	24.4
242.98953	19.5
255.23232	51.5
374.83206	21.4
453.30096	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.208
Annotation	Unknow
Peak:m/z	Relative Intensity
55.03012	0.5
57.03160	0.6
57.03447	22.7
59.01378	100.0
60.01736	0.7
60.30275	0.6
61.98833	5.3
67.11353	0.8
69.62146	4.0
70.47525	0.6
71.01382	6.1
73.02949	2.8
78.95952	1.0
83.01398	1.1
85.02975	2.0
89.02466	1.0
96.96029	0.7
96.96993	0.6
99.00896	1.5
101.02471	3.1
101.91036	0.5
113.02472	3.2
114.05614	0.7
119.05042	1.0
126.09254	5.9
127.00342	0.6
129.05591	1.0
159.03056	0.6
161.04608	6.6
161.06131	5.4
163.04073	0.5
168.27228	0.5
189.00415	1.4
191.05629	1.4
198.58203	0.6
232.13422	38.3
233.13731	2.7
284.45169	0.6
367.46548	0.6
394.18747	0.6
431.85852	0.6
455.18005	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.1772
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	0.3
59.01376	3.2
61.98828	100.0
62.98530	0.2
64.67263	0.1
71.01393	1.3
71.71159	0.3
73.02940	0.8
78.91878	0.2
83.01414	0.2
83.05045	0.2
85.02968	0.4
87.00909	0.2
89.02462	0.5
93.03514	0.2
96.96024	1.1
97.02993	0.2
98.95625	0.4
99.00888	0.2
101.02463	0.7
102.98588	0.2
113.02476	0.4
125.02431	0.1
125.06000	0.2
127.00404	0.3
147.11795	0.2
152.08521	0.3
153.09256	0.4
161.04587	0.3
165.09254	0.2
187.06383	0.1
187.11356	0.2
188.07214	0.3
189.00504	0.2
199.36450	0.1
201.05730	0.2
217.05049	0.2
227.12933	0.6
229.04997	0.2
231.13927	0.6
243.06776	0.2
245.08131	0.2
249.15019	0.6
258.05261	0.8
268.12070	0.2
273.07663	3.3
273.10532	0.2
283.05142	0.2
339.63684	0.1
408.19214	0.3
434.17294	0.6
452.18613	1.8
453.13922	0.5
453.18561	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.278
Annotation	Unknow
Peak:m/z	Relative Intensity
58.87612	0.2
59.01378	0.3
59.09013	0.2
61.98829	2.9
69.46884	0.4
69.47295	1.2
78.95905	6.0
80.35001	0.1
90.28663	0.2
98.19775	0.2
116.92870	0.3
128.07164	0.2
140.00449	0.1
140.01219	1.7
152.99635	0.7
171.00648	0.2
196.03804	1.1
214.04883	2.5
255.23277	100.0
256.23608	8.8
256.26334	0.4
287.81256	0.2
305.17581	0.2
393.19632	1.2
408.13489	0.2
452.27792	12.6
453.28036	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.2782
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57727	0.1
53.71914	0.1
57.23363	0.1
57.40342	0.1
61.98801	0.1
62.96399	0.2
70.09139	0.2
70.09551	0.5
75.92789	0.1
78.95907	18.1
98.20602	0.2
101.17597	0.1
109.09884	0.1
122.00179	0.7
134.98497	0.2
140.01212	4.9
149.30829	0.1
152.99582	1.5
166.02678	0.2
196.03802	9.9
197.04173	0.3
203.56459	0.1
214.04865	2.0
255.23274	100.0
256.23615	9.0
283.51151	0.1
452.27798	31.6
453.28119	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1029
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.0
60.61449	0.2
61.98795	0.3
68.99792	0.3
70.68382	0.3
70.68732	0.9
71.01364	0.8
73.02943	0.5
75.00867	0.3
76.26010	0.3
78.95908	95.7
83.01403	0.3
84.35737	0.3
85.02956	0.4
89.02443	1.0
93.77767	0.2
96.96972	0.4
101.02493	0.3
108.90211	4.0
110.89929	93.2
110.98540	100.0
111.98876	0.4
112.98788	0.7
127.00349	0.4
144.05612	0.3
145.01437	1.2
174.62004	0.3
179.05670	0.3
189.00432	0.4
191.05618	1.1
192.26984	0.3
194.83868	0.3
209.06624	0.5
265.06720	0.3
271.68747	0.3
330.35349	0.3
341.10794	1.5
379.08533	0.3
415.14542	0.5
421.07654	0.6
453.10239	4.6
454.11475	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1073
Annotation	Unknow
Peak:m/z	Relative Intensity
57.95745	0.3
59.01376	5.7
61.98831	6.7
67.90607	0.4
71.01379	1.8
71.13156	0.3
71.22966	0.3
71.66760	0.6
73.02942	0.6
78.95902	0.6
79.95747	5.1
80.96542	0.3
85.02935	0.5
87.00883	1.2
89.02455	0.9
95.95235	0.8
96.96021	100.0
101.02442	0.6
102.49562	0.3
103.00409	0.4
113.02460	0.6
115.97935	0.3
119.03472	0.4
150.97095	0.3
168.98141	0.4
177.09137	0.7
224.13683	0.3
225.00812	1.4
241.00230	0.6
247.13544	0.3
249.11272	0.5
256.99728	2.9
267.01685	0.6
299.00909	1.4
367.10681	31.0
368.10989	2.9
386.36319	0.3
393.19376	0.3
409.11740	27.2
410.12152	2.4
435.09576	1.0
452.28470	0.8
453.10767	10.5
453.17819	3.1
453.29440	0.3
454.10950	1.2
454.16968	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76234	0.6
55.01874	1.2
57.03449	66.9
58.00596	1.0
58.03791	1.6
59.01378	100.0
60.01706	1.5
60.50516	0.5
61.98830	35.4
63.60065	0.5
70.78735	1.8
71.00772	0.8
71.01386	20.1
72.99319	1.0
73.02947	8.4
75.00867	0.8
78.95924	0.6
79.95773	0.7
81.03490	1.3
83.01392	5.4
85.02951	9.7
85.03413	0.9
87.00893	1.8
88.98830	1.5
89.02451	7.4
93.03481	1.5
95.01401	1.4
96.95464	0.5
96.96008	1.4
97.02989	0.6
99.00898	4.7
99.04530	65.0
99.89698	0.5
100.04858	1.4
101.02453	32.8
102.02818	1.0
109.02987	0.6
111.00905	1.7
113.02460	7.8
119.03532	2.7
119.05012	0.6
125.02468	19.0
127.00372	1.8
128.03497	0.6
129.01973	0.8
131.03589	0.7
135.04639	0.8
143.03539	3.3
149.04599	0.8
159.03017	1.3
161.04565	5.7
179.05626	0.9
183.10341	1.4
189.00465	1.3
190.99858	1.1
191.05626	2.5
192.05988	1.0
193.06097	1.1
203.07152	0.8
229.14520	1.8
231.41528	0.7
255.03120	0.7
269.10141	0.7
289.07224	1.6
307.17615	14.5
307.21033	1.1
319.17532	2.7
349.18497	4.8
365.07010	0.7
365.14224	1.1
389.21921	0.8
391.23355	23.0
392.23752	1.9
413.14734	1.8
429.14374	0.7
451.11823	0.8
451.21741	13.9
451.32886	0.6
452.17780	2.3
452.22681	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	452.1595
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66721	0.4
54.58682	0.4
57.03476	0.4
59.01373	1.1
61.98829	100.0
70.99607	1.0
71.01392	1.3
71.66464	0.7
72.97510	0.5
74.99099	2.9
75.00883	0.9
78.95924	0.7
82.84435	0.4
83.01399	0.6
85.02956	0.7
85.92565	0.5
86.60536	0.5
86.99125	0.5
87.73511	0.4
88.97031	0.5
89.02491	0.5
99.00881	2.2
100.97056	2.2
102.98614	2.9
111.00924	1.2
112.98813	3.7
114.98606	4.6
123.18134	0.5
128.96519	2.1
129.01959	0.8
135.02986	4.4
135.03716	0.4
142.99876	3.0
152.99588	0.8
160.84221	0.7
173.00920	7.4
206.99699	12.2
234.42906	0.4
266.63419	0.4
389.16553	1.3
452.08774	0.6
453.30136	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1643
Annotation	Galbeta1-3GlcNAcbeta-Sp
Peak:m/z	Relative Intensity
52.94561	0.3
53.33064	0.3
59.01368	0.5
66.39095	0.2
69.47211	0.2
69.47903	2.1
71.01371	0.5
79.95746	3.4
80.96516	0.6
85.02982	0.3
91.50507	0.2
95.95291	0.2
96.96020	69.1
97.95952	0.3
101.02432	0.4
138.97052	0.4
163.83925	0.3
175.88487	0.3
225.00739	0.5
241.00195	1.2
256.99719	2.9
395.10202	0.3
451.16409	100.0
452.16754	10.7
452.21790	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76234	0.6
55.01874	1.2
57.03449	66.9
58.00596	1.0
58.03791	1.6
59.01378	100.0
60.01706	1.5
60.50516	0.5
61.98830	35.4
63.60065	0.5
70.78735	1.8
71.00772	0.8
71.01386	20.1
72.99319	1.0
73.02947	8.4
75.00867	0.8
78.95924	0.6
79.95773	0.7
81.03490	1.3
83.01392	5.4
85.02951	9.7
85.03413	0.9
87.00893	1.8
88.98830	1.5
89.02451	7.4
93.03481	1.5
95.01401	1.4
96.95464	0.5
96.96008	1.4
97.02989	0.6
99.00898	4.7
99.04530	65.0
99.89698	0.5
100.04858	1.4
101.02453	32.8
102.02818	1.0
109.02987	0.6
111.00905	1.7
113.02460	7.8
119.03532	2.7
119.05012	0.6
125.02468	19.0
127.00372	1.8
128.03497	0.6
129.01973	0.8
131.03589	0.7
135.04639	0.8
143.03539	3.3
149.04599	0.8
159.03017	1.3
161.04565	5.7
179.05626	0.9
183.10341	1.4
189.00465	1.3
190.99858	1.1
191.05626	2.5
192.05988	1.0
193.06097	1.1
203.07152	0.8
229.14520	1.8
231.41528	0.7
255.03120	0.7
269.10141	0.7
289.07224	1.6
307.17615	14.5
307.21033	1.1
319.17532	2.7
349.18497	4.8
365.07010	0.7
365.14224	1.1
389.21921	0.8
391.23355	23.0
392.23752	1.9
413.14734	1.8
429.14374	0.7
451.11823	0.8
451.21741	13.9
451.32886	0.6
452.17780	2.3
452.22681	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	450.1981
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	2.1
61.98830	100.0
71.01389	0.5
71.72562	0.6
71.72913	0.3
72.99310	0.6
75.00880	0.4
78.95907	5.6
89.02480	0.5
96.97005	0.3
111.00880	0.7
112.98911	0.4
117.01988	0.6
119.05046	0.4
127.61437	0.3
142.99925	1.2
145.03012	0.9
152.99611	8.0
153.99960	1.4
173.00961	1.2
174.01726	0.9
189.71915	0.3
233.15440	0.4
237.15030	0.5
251.16502	0.6
295.15582	0.4
309.17325	0.9
337.26166	0.3
373.08841	0.3
392.04996	0.3
423.90079	0.3
432.24902	0.8
450.23831	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1981
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	1.9
60.01701	0.2
61.01791	0.2
61.98832	100.0
63.12164	0.2
70.97844	0.5
71.01403	0.3
73.02938	0.2
89.02437	0.3
98.19965	0.1
107.02502	0.1
158.98439	0.1
168.26399	0.2
168.81190	0.2
390.21265	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.198
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00603	0.1
56.47148	0.1
59.01376	1.3
60.01706	0.1
61.98831	100.0
62.98523	0.2
70.39503	0.5
71.01389	0.3
73.02957	0.2
89.02458	0.2
96.96054	0.2
101.02464	0.1
107.20818	0.1
113.02482	0.1
116.19173	0.1
152.28653	0.1
161.04471	0.1
191.05667	0.3
386.81052	0.1
387.16718	0.3
390.21320	0.4
450.20276	0.1
451.18430	0.3
452.32956	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	451.1245
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	2.4
57.03453	2.5
57.10589	0.3
58.76505	0.3
59.01379	100.0
60.01711	1.2
60.99317	0.3
61.98839	1.2
69.01445	0.3
69.68343	2.2
71.01385	11.6
71.84303	0.3
73.02963	3.1
83.00963	0.3
83.01396	1.4
85.02960	3.3
88.98837	2.5
89.02457	1.6
95.01422	0.8
97.03001	0.4
98.19914	0.6
99.00887	1.4
99.04547	2.0
101.02453	4.7
108.02215	1.1
113.02464	2.2
117.03519	0.4
125.02492	1.2
131.03499	0.3
132.02199	0.7
133.03017	0.3
135.00906	0.4
143.03548	0.6
147.04546	4.6
148.01697	1.2
149.04602	0.8
159.03050	0.3
161.04552	2.0
163.00430	0.5
173.06088	11.0
173.07584	0.6
174.06490	0.6
177.02086	0.4
187.04015	4.7
188.04825	3.2
191.05649	1.0
192.05957	0.7
193.06142	0.5
203.05614	1.6
203.07162	30.8
204.07469	1.8
217.04942	0.5
335.22235	0.3
341.89410	0.3
413.14346	0.7
414.15073	0.3
451.12186	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	450.1619
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12181	0.2
57.03451	0.4
59.01377	8.4
60.01710	0.4
61.98830	100.0
62.98536	0.3
64.86901	0.2
70.53102	0.4
70.53476	0.8
71.01392	1.4
73.02967	0.8
74.02522	0.3
74.99095	0.2
75.17076	0.2
83.01423	0.3
85.02962	0.6
87.00884	0.4
88.98825	0.3
89.02450	0.5
93.03476	1.2
96.96021	5.1
98.95615	0.6
99.04542	0.4
101.02466	0.9
103.00384	0.4
111.00929	0.3
113.02459	0.4
125.02484	0.4
127.00383	0.3
160.04016	0.3
161.04620	0.3
163.11354	0.4
173.04645	0.4
173.06061	0.2
174.04953	0.2
181.12364	3.7
182.12770	0.4
189.00449	0.3
189.62383	0.2
191.05682	0.5
203.07188	0.8
225.11327	8.2
226.11676	0.7
289.07104	0.3
356.75290	0.2
363.07816	0.7
364.07889	3.7
365.07608	0.9
369.15738	0.3
372.38782	0.3
387.16595	12.9
388.17142	1.3
390.22238	0.6
396.90619	0.3
406.08954	1.8
407.08688	0.4
412.07486	0.3
450.08005	1.3
450.15231	0.8
450.21103	0.5
451.07278	0.3
451.16278	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1618
Annotation	Unknow
Peak:m/z	Relative Intensity
55.15966	0.1
55.50418	0.1
59.01376	5.3
60.01719	0.3
61.98829	100.0
62.98512	0.1
63.99282	0.1
64.69193	0.1
71.01379	0.8
72.99310	0.2
73.02963	0.3
75.00945	0.1
83.01436	0.1
85.02980	0.3
87.00901	0.2
89.02449	0.7
90.02828	0.1
96.00916	0.1
96.96026	0.2
99.00905	0.5
101.02448	0.6
102.02792	0.1
113.02451	0.2
119.03532	0.3
124.00401	0.2
126.02002	0.2
159.03078	0.2
161.04588	0.2
167.99788	0.1
191.05630	0.2
197.08337	0.1
202.05234	0.2
301.43555	0.1
332.07736	0.2
354.35785	0.1
390.22351	0.7
404.20190	0.2
407.19107	0.2
432.09543	0.2
450.10599	0.4
450.20566	0.2
451.22379	0.2
468.80139	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	450.1982
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	1.3
61.98830	100.0
62.98518	0.3
70.87426	0.5
71.01387	0.5
72.99321	1.0
78.95921	0.5
89.02467	0.6
99.00923	0.3
112.98831	0.5
113.00772	0.2
117.01976	0.6
123.64971	0.2
142.99878	1.5
152.99585	1.1
173.00935	0.8
174.01700	0.9
175.02420	0.2
193.15991	0.2
201.20296	0.2
204.07471	0.3
205.16003	0.3
209.15440	0.4
219.96935	0.2
237.15065	0.4
251.16583	0.5
266.00671	0.2
277.14441	0.4
295.15402	0.3
309.17035	1.1
422.13675	0.2
432.12088	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2306
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	3.7
61.98830	3.7
62.96402	0.3
69.70943	0.6
69.71357	1.7
71.01368	0.3
73.02974	0.3
78.95907	71.0
80.40868	0.3
83.05064	0.3
87.00912	0.5
89.02463	0.4
96.96019	0.3
96.96964	6.4
99.92599	0.5
111.00921	0.3
116.92867	1.5
150.98029	1.6
152.99599	100.0
153.99904	1.8
161.02425	0.6
171.00681	2.1
179.05615	0.6
189.01083	0.3
195.13919	0.4
223.92505	0.3
243.56136	0.3
277.01385	0.3
277.21555	0.5
295.22855	0.8
331.08194	0.3
348.85501	0.3
449.23047	27.1
450.23416	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	449.2309
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	4.8
61.98533	0.3
61.98833	3.3
70.80743	0.2
70.81081	0.3
71.01381	0.2
75.00882	0.1
76.97697	0.2
78.95908	51.2
93.03489	0.2
96.96978	5.9
107.05036	0.2
107.56245	0.1
116.71461	0.1
135.04585	0.2
150.98055	1.8
152.99605	100.0
153.99937	1.7
161.02437	0.5
166.54927	0.2
171.00656	4.3
173.02509	0.2
174.99203	0.2
179.05618	0.4
191.05652	0.2
205.04991	0.3
215.10774	1.1
217.05060	3.0
218.05444	0.2
219.35960	0.2
229.03970	0.4
229.08704	0.2
247.09683	0.4
259.09680	0.9
261.07800	0.2
273.11310	0.5
287.02386	0.3
291.12332	1.9
295.22830	0.5
335.95886	0.2
341.18442	0.2
345.06583	0.6
349.06378	0.3
350.06873	0.2
389.09216	1.6
390.09726	0.2
449.11395	4.8
449.23053	17.1
450.11774	0.7
450.23355	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	3.2
58.00594	1.0
59.01378	56.6
60.01717	0.9
60.99304	1.6
61.98829	18.1
67.01896	2.1
69.03464	0.7
71.01385	14.3
71.05016	0.9
71.57437	0.5
72.99307	2.0
73.02955	2.3
75.00900	1.0
81.03458	1.1
83.01378	1.8
83.05051	1.1
85.02958	9.1
87.00883	5.9
89.02452	10.1
93.03468	17.5
94.03806	0.7
95.01385	0.9
96.00900	0.8
96.96017	10.1
97.02950	0.4
98.02497	1.0
99.00879	1.3
99.04533	2.3
101.02454	8.2
103.00369	0.5
105.03487	0.4
111.00890	11.8
111.04523	2.1
113.02476	5.0
118.98080	0.5
119.03506	4.1
123.04610	0.6
125.02492	0.9
125.09756	4.7
126.10069	0.5
127.04034	0.8
129.01950	1.3
130.08780	0.6
133.03001	0.7
134.03746	0.8
135.04546	0.4
137.02492	0.8
143.03491	0.9
154.99879	1.3
155.03568	0.7
161.04553	1.1
165.12888	1.1
173.00960	4.0
173.04565	10.2
173.06053	0.7
175.07738	0.4
179.05598	1.5
179.14429	2.8
181.12367	2.0
187.07628	1.7
189.12830	2.4
191.02078	2.2
191.05623	37.5
192.05931	1.2
200.04910	0.5
203.03432	0.4
207.13896	4.3
208.14175	0.4
209.11804	2.7
211.13335	0.7
213.09222	1.2
214.99890	0.6
215.07094	0.6
223.13382	0.7
225.14944	11.6
226.15295	1.0
227.12886	25.8
228.13177	1.2
229.22414	0.4
230.02295	0.5
231.10242	2.1
241.14438	0.7
245.04510	1.4
251.12863	3.8
257.08148	3.8
269.13892	6.6
270.14227	0.5
275.09210	1.5
283.15179	0.6
287.14978	14.7
287.18127	0.5
288.15384	0.9
311.07565	0.5
311.15036	0.5
329.15970	1.5
363.07574	7.6
364.07681	0.6
387.20297	1.9
389.18109	9.9
390.18509	1.0
405.08551	0.7
413.18246	0.5
414.16693	1.3
431.13864	0.6
431.19229	4.5
449.14581	12.6
449.20203	100.0
450.14841	2.1
450.20547	13.2
463.25214	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.203
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54165	0.2
55.01872	0.4
56.24969	0.2
57.03453	0.5
58.00583	0.2
59.01379	100.0
60.01712	1.2
61.01822	0.3
61.35515	0.2
61.98832	11.3
62.00043	0.3
66.79713	0.3
67.27445	0.2
69.95484	1.4
71.01390	4.3
72.99300	0.4
73.02970	1.4
75.00893	0.3
83.01398	0.4
83.05040	0.3
83.66667	0.3
85.02956	1.9
87.00917	0.6
89.02448	1.9
96.96023	1.2
98.19991	0.4
99.00926	0.7
99.02025	0.2
101.02435	2.5
103.92728	0.2
106.74311	0.2
113.02438	1.7
119.03539	0.7
121.02959	1.5
127.00368	0.3
137.02542	0.2
143.03497	0.3
143.07170	0.3
159.02888	0.3
161.04587	2.0
165.01950	1.5
169.08823	0.4
179.05658	0.6
183.10344	0.3
191.05635	1.3
209.11945	0.3
227.12891	4.2
242.28012	0.2
253.04810	0.3
259.06326	0.3
287.15005	0.6
324.90381	0.2
327.07211	0.4
338.08243	0.4
341.84921	0.2
389.18167	25.9
390.18518	2.4
390.22931	0.3
407.13541	0.2
449.21115	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	449.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39395	0.4
52.05125	0.4
53.12531	0.4
57.03448	1.3
59.01379	53.4
60.01714	0.9
61.98832	6.9
66.46537	0.4
69.56507	1.9
69.56927	1.3
71.01386	3.4
73.02948	1.6
80.77450	0.4
83.01373	1.1
85.02946	2.4
86.01277	0.4
87.00893	0.6
89.02453	1.8
93.03479	2.4
95.01411	0.6
97.06567	0.7
99.04529	2.2
99.72108	0.4
101.02473	2.4
108.58314	0.5
111.00900	1.9
111.04558	0.5
113.02473	2.1
119.03529	0.4
128.18784	0.4
135.04521	0.5
144.24986	0.4
144.60419	0.4
151.00343	1.0
154.69347	0.4
161.04677	0.7
165.12845	1.6
173.00932	1.0
173.04625	0.5
180.11821	0.4
191.05624	13.4
192.05891	0.7
207.13866	3.5
209.11847	5.7
225.15002	5.6
227.12892	30.7
228.13188	1.7
251.12836	2.2
257.08203	1.2
269.13907	11.4
270.14224	0.9
287.15002	100.0
288.15320	8.1
293.14154	0.5
310.68326	0.5
311.15009	0.9
329.15991	2.4
359.16870	0.5
389.18225	1.7
449.14529	0.9
449.20145	11.1
450.20581	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	2.4
58.47689	0.7
59.01377	35.1
60.99287	0.9
61.98830	6.8
65.00321	2.9
67.01868	1.3
69.08450	0.6
71.01380	14.9
71.34362	1.5
71.34715	0.7
72.41492	0.7
72.99281	0.8
73.02966	1.0
75.00857	1.4
79.95739	4.8
80.96526	1.3
81.03461	12.0
83.01380	2.4
83.05032	0.9
85.02962	7.2
87.00895	4.0
89.02453	15.8
93.03474	11.9
95.01392	1.5
95.05034	1.0
95.95266	1.4
96.96019	100.0
97.02940	1.7
99.04546	1.5
99.08153	1.5
101.02456	7.7
107.01391	6.7
109.02976	2.3
109.06590	1.1
111.00902	3.2
111.04549	1.5
113.02478	8.4
115.07616	0.8
119.03519	8.1
123.04553	2.2
125.02470	1.8
127.04082	0.8
127.07666	2.9
128.08469	5.4
129.09254	5.1
133.03079	0.8
135.04544	28.3
136.04926	0.9
138.97087	0.9
143.03529	1.8
143.10718	1.0
145.08722	1.0
147.11804	7.7
151.00392	37.3
152.00749	1.7
154.99831	1.1
160.07411	1.3
161.04587	3.5
165.12868	2.2
169.01443	0.9
173.00993	1.0
173.04546	7.9
179.05640	6.3
183.13927	13.3
187.07658	3.3
191.05629	40.7
191.10826	2.0
192.05919	1.4
207.13977	1.4
209.11836	28.1
209.13820	1.5
210.12161	1.9
215.07259	0.9
225.00746	2.0
227.12888	21.4
228.13228	1.0
231.10300	1.0
241.00266	2.1
251.12840	10.0
257.08179	5.2
259.01254	1.3
269.14090	0.9
275.09314	1.6
281.13922	1.5
287.05609	27.0
288.05942	2.1
345.06558	0.8
363.07535	20.2
364.07944	2.6
389.21954	2.5
405.08560	16.6
406.09094	2.1
449.15036	80.2
450.09595	1.0
450.15366	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	449.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
53.38801	0.7
54.40416	0.6
57.01712	0.6
57.03442	0.7
59.01377	100.0
59.58294	0.6
60.01712	1.0
61.62825	0.6
61.98829	4.8
69.57067	4.9
71.01377	1.1
73.02951	1.3
76.16548	0.5
77.40201	0.5
81.03476	0.5
85.02967	2.2
86.87267	0.5
87.00874	4.5
93.03509	0.8
95.44184	0.5
97.02984	0.7
98.20625	1.2
99.00934	0.7
99.04539	1.3
101.02435	1.1
109.06571	0.7
117.01933	0.7
117.95839	0.6
121.88631	0.7
125.02480	0.9
140.79639	0.6
141.71156	0.6
143.64899	0.5
156.74907	0.6
159.03084	0.7
161.04565	9.3
165.12859	1.5
179.05624	5.3
191.05635	2.5
207.13934	2.6
209.11801	5.6
221.06618	3.4
225.14980	6.1
226.15198	1.0
227.12892	43.8
228.13229	3.0
251.12874	1.8
269.13950	8.2
270.14197	0.8
287.15018	15.1
288.15222	1.9
405.58020	0.8
431.19138	8.7
432.19730	0.7
449.20255	72.7
450.20593	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	449.1486
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.2
57.03434	0.2
59.01377	8.5
60.01726	0.2
60.99293	0.2
61.98830	3.6
65.00320	0.3
66.83051	0.2
67.01890	0.9
70.55633	0.5
71.01382	2.0
72.99285	0.2
73.02948	0.5
75.00872	0.4
79.95738	5.1
80.96527	1.0
81.03452	0.5
83.01389	0.4
83.05009	0.2
85.02957	0.9
87.00885	1.5
89.02478	1.2
93.03465	4.8
94.03728	0.2
95.95232	1.1
96.96017	100.0
97.95913	0.4
99.00887	0.2
101.02467	1.2
103.00358	0.4
107.01396	0.3
111.00883	1.2
111.04518	0.7
113.02441	1.0
119.03507	0.5
120.99623	0.2
125.02352	0.2
128.03552	0.4
129.01965	0.2
133.02968	0.2
134.03746	0.3
135.04527	2.7
138.97006	0.3
143.03476	0.3
147.11819	0.2
150.97079	0.4
151.00381	3.1
154.99869	0.3
159.88036	0.2
161.02216	0.2
161.04623	0.4
164.07126	0.3
167.57281	0.1
168.98122	0.3
173.00890	0.5
173.04541	2.7
179.05594	0.3
179.10880	0.2
183.13774	0.4
191.05638	1.2
191.45609	0.2
194.24475	0.2
207.13947	0.2
209.11859	1.0
225.00729	1.6
227.12965	0.8
231.10278	0.4
233.15834	0.3
233.84488	0.1
241.00249	1.8
251.12830	0.4
256.99612	0.4
259.01260	1.8
275.09152	0.4
285.03958	0.2
287.05563	2.5
287.14862	0.3
345.06415	0.5
361.20544	0.3
363.07532	20.0
364.07791	1.7
389.21539	1.2
405.08582	15.0
406.08737	1.7
431.06464	0.2
449.08322	4.5
449.14816	85.9
450.08759	0.6
450.15173	9.9
450.21509	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1488
Annotation	Suvorexant
Peak:m/z	Relative Intensity
57.03443	0.2
59.01376	2.7
59.60963	0.1
59.61264	0.2
61.98828	5.7
66.36749	0.2
67.01868	0.3
68.88554	0.2
70.63425	0.4
71.01366	1.1
73.02942	0.3
79.95737	2.4
80.96527	0.7
85.02970	0.6
87.00891	0.6
92.48557	0.2
93.03468	2.1
95.95255	1.7
96.35200	0.2
96.96019	87.8
97.95925	0.3
101.02454	0.8
107.22778	0.2
111.00887	0.8
111.04536	0.4
113.02479	0.4
120.63344	0.2
134.03729	0.3
135.04521	0.2
137.09769	0.8
138.51062	0.2
138.97119	0.4
151.55110	0.2
157.34856	0.2
169.12434	0.2
173.00940	0.3
173.04553	1.3
181.12347	0.4
191.05620	0.5
204.30824	0.2
225.11336	1.5
231.10275	0.2
241.00259	1.3
256.99722	2.5
259.01218	0.4
275.09424	0.3
285.02826	0.3
329.23294	0.4
363.07593	1.4
387.17041	0.2
405.08524	1.2
449.14835	100.0
450.15189	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	449.1091
Annotation	Aromadendrin 4'-glucoside
Peak:m/z	Relative Intensity
56.00605	0.3
57.03448	1.1
59.01378	11.5
60.39003	0.3
60.99311	0.8
61.98829	37.5
63.02399	0.5
65.00324	7.9
67.01898	1.4
69.03444	0.6
70.03880	1.9
71.01379	3.0
72.95561	0.4
72.99310	0.9
73.02956	1.3
79.95736	0.8
80.96545	0.4
81.03455	0.5
83.01390	4.8
85.02952	3.0
86.19756	0.4
87.00885	2.5
89.02448	1.7
93.03466	12.1
94.03848	0.4
96.96020	18.4
99.00944	0.6
99.04523	0.7
101.02452	1.8
103.00389	1.5
107.01400	15.6
109.02956	2.0
111.00890	8.8
111.04538	1.4
113.02469	1.1
116.92857	1.2
117.92838	0.5
118.92685	0.7
119.03527	0.5
124.93056	0.4
125.02466	4.7
127.00393	0.5
129.01993	1.0
130.49117	0.4
134.03746	1.1
135.04536	64.7
136.04874	1.9
137.02487	0.4
137.77795	0.4
151.00383	100.0
152.00735	4.1
154.99876	1.2
160.04037	3.9
161.02496	0.8
161.04599	0.8
164.98549	0.4
165.02013	0.8
167.10799	0.4
169.01410	1.6
170.29491	0.3
173.00975	3.1
173.04556	7.9
173.06024	0.4
176.86002	0.4
177.01912	0.6
179.05585	0.6
180.98070	0.4
181.12361	4.8
187.07698	0.8
191.01979	1.3
191.05618	11.1
225.11281	3.2
227.13019	1.1
228.70541	0.4
231.10284	1.3
241.00241	0.6
257.08176	2.4
269.04562	0.8
271.02533	0.5
272.02856	0.6
273.03152	1.1
275.09174	1.3
287.05600	81.7
288.05988	7.5
288.08978	0.2
300.02652	0.7
301.03189	1.1
302.03427	1.8
303.04175	0.4
357.04187	0.4
363.07550	17.8
364.07800	1.3
387.16599	8.4
389.21829	0.6
405.08542	6.9
406.08716	0.6
449.10541	17.8
449.23776	0.7
450.11234	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	449.0762
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	0.8
57.59117	0.3
59.01377	14.9
60.99296	0.6
61.98828	7.0
63.60017	0.3
67.01893	1.8
69.03445	0.4
70.36426	0.3
70.36758	1.1
71.01385	3.8
72.99303	0.6
73.02952	2.0
73.41089	0.3
75.00867	0.3
79.95744	3.4
80.96526	1.4
81.03490	0.4
83.01390	0.7
85.02953	4.2
87.00888	3.8
89.02456	1.0
93.03468	13.3
94.03818	0.4
95.01363	0.3
95.95245	1.1
96.96019	100.0
97.03041	0.3
97.95953	0.7
99.00875	0.7
99.04532	0.8
101.02442	2.0
103.00375	0.4
107.09170	0.3
109.02957	0.5
111.00898	3.6
111.04529	2.0
113.02470	1.2
113.69923	0.2
119.03520	0.5
122.02666	0.3
125.02523	0.4
127.00388	0.3
127.04036	0.5
129.01921	0.5
133.02931	0.7
134.03760	0.9
135.04526	1.8
137.02467	1.0
138.97113	0.6
143.03571	0.5
147.04514	0.6
150.97017	0.4
151.00415	1.6
152.94383	0.2
154.99921	0.6
155.03534	0.6
161.04572	0.6
164.07191	2.0
164.59172	0.2
164.98668	0.5
172.05263	0.3
173.00885	1.2
173.04553	8.1
179.05672	0.5
191.05618	17.0
192.05946	0.3
206.08211	0.5
225.00841	0.4
227.12747	0.3
231.10292	1.3
233.34697	0.3
241.00211	1.3
256.99640	0.3
257.08154	2.5
259.01193	0.5
275.09219	0.9
287.05698	1.6
345.06476	1.8
363.07550	53.8
364.07895	3.8
389.21799	1.0
405.08600	41.0
406.08768	3.7
431.06744	0.9
449.07675	13.1
449.14761	34.6
449.21100	1.3
450.07867	1.3
450.15085	3.6
450.21301	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	449.1091
Annotation	Aromadendrin 4'-glucoside
Peak:m/z	Relative Intensity
56.00605	0.3
57.03448	1.1
59.01378	11.5
60.39003	0.3
60.99311	0.8
61.98829	37.5
63.02399	0.5
65.00324	7.9
67.01898	1.4
69.03444	0.6
70.03880	1.9
71.01379	3.0
72.95561	0.4
72.99310	0.9
73.02956	1.3
79.95736	0.8
80.96545	0.4
81.03455	0.5
83.01390	4.8
85.02952	3.0
86.19756	0.4
87.00885	2.5
89.02448	1.7
93.03466	12.1
94.03848	0.4
96.96020	18.4
99.00944	0.6
99.04523	0.7
101.02452	1.8
103.00389	1.5
107.01400	15.6
109.02956	2.0
111.00890	8.8
111.04538	1.4
113.02469	1.1
116.92857	1.2
117.92838	0.5
118.92685	0.7
119.03527	0.5
124.93056	0.4
125.02466	4.7
127.00393	0.5
129.01993	1.0
130.49117	0.4
134.03746	1.1
135.04536	64.7
136.04874	1.9
137.02487	0.4
137.77795	0.4
151.00383	100.0
152.00735	4.1
154.99876	1.2
160.04037	3.9
161.02496	0.8
161.04599	0.8
164.98549	0.4
165.02013	0.8
167.10799	0.4
169.01410	1.6
170.29491	0.3
173.00975	3.1
173.04556	7.9
173.06024	0.4
176.86002	0.4
177.01912	0.6
179.05585	0.6
180.98070	0.4
181.12361	4.8
187.07698	0.8
191.01979	1.3
191.05618	11.1
225.11281	3.2
227.13019	1.1
228.70541	0.4
231.10284	1.3
241.00241	0.6
257.08176	2.4
269.04562	0.8
271.02533	0.5
272.02856	0.6
273.03152	1.1
275.09174	1.3
287.05600	81.7
288.05988	7.5
288.08978	0.2
300.02652	0.7
301.03189	1.1
302.03427	1.8
303.04175	0.4
357.04187	0.4
363.07550	17.8
364.07800	1.3
387.16599	8.4
389.21829	0.6
405.08542	6.9
406.08716	0.6
449.10541	17.8
449.23776	0.7
450.11234	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	447.2387
Annotation	Ugaferin
Peak:m/z	Relative Intensity
57.03434	0.8
59.01377	7.3
61.98830	6.1
69.88571	2.2
71.01389	1.1
78.95908	9.4
88.98878	0.4
96.96976	0.9
99.00900	0.4
99.92596	0.5
101.02462	0.7
113.09772	0.7
115.00361	0.4
115.92120	0.5
116.92896	0.7
117.03477	15.5
118.03783	0.4
119.05042	52.1
120.05402	2.6
121.02935	0.5
121.65018	0.4
133.02957	0.5
134.03716	0.5
135.04501	1.3
145.02968	100.0
146.03311	4.7
152.56651	0.4
152.99603	12.2
161.02434	2.7
161.04517	0.5
163.04025	38.4
164.04391	1.6
179.03375	0.6
181.07231	1.8
182.29547	0.4
221.19086	8.5
221.98544	0.4
222.19542	0.4
225.14714	0.5
239.20128	1.0
246.55420	0.4
265.18011	6.7
266.18451	0.7
283.19131	10.1
284.19489	0.9
301.20187	21.4
302.20392	2.3
372.66531	0.4
387.20270	0.9
429.22781	0.8
439.90930	0.4
447.23892	61.8
448.24216	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	447.2517
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	1.0
61.34565	0.2
61.98838	0.4
69.95659	0.2
70.79931	0.4
70.80281	0.3
78.95911	6.5
95.63745	0.2
98.20013	0.2
104.97504	0.5
110.98544	5.3
113.51626	0.2
113.64373	0.2
119.72150	0.2
122.36331	0.2
138.42584	0.2
152.99637	0.4
167.01157	4.3
185.02190	3.2
261.22217	0.5
279.23282	100.0
280.23630	9.7
367.05466	0.2
447.25162	11.6
448.25580	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	0.8
61.98830	100.0
62.98544	0.2
69.82683	0.9
73.13085	0.1
81.28323	0.2
95.76498	0.2
98.19996	0.3
111.83453	0.2
147.10277	0.1
209.96756	0.1
323.59760	0.2
383.69019	0.2
449.10992	0.2
466.17923	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04685	0.2
57.03445	0.9
58.28062	0.2
59.01376	10.4
60.01717	1.1
61.01807	0.2
61.98830	100.0
65.27214	0.2
67.01900	0.2
69.37684	1.0
69.38100	0.6
71.01385	1.7
73.02946	0.3
83.01396	0.2
85.02969	0.8
89.02460	1.9
93.03515	0.4
98.19923	0.3
99.04543	0.7
101.02449	1.2
111.00896	0.8
113.02462	0.8
113.60929	0.2
119.03516	0.4
121.41044	0.2
125.02470	0.2
155.68190	0.2
161.04593	0.6
162.04973	0.2
172.35086	0.2
173.00893	0.3
173.04643	0.3
179.05646	0.6
180.05928	0.2
187.07767	0.2
191.05627	2.9
198.94696	0.2
243.16039	0.5
257.08206	0.3
265.59131	0.2
305.15970	0.2
388.20587	0.6
448.22083	0.3
449.14606	0.4
449.24033	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	447.2144
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50341	3.7
55.67138	4.0
59.01108	6.4
59.01380	100.0
61.98824	44.9
71.01397	25.0
71.71722	6.5
71.72099	6.6
72.82055	3.9
78.95894	6.4
89.02436	9.7
99.92596	4.5
101.02448	11.3
109.13641	4.0
112.98864	5.6
113.02428	7.3
113.80986	4.2
119.03410	4.6
134.04744	13.3
161.04526	8.0
164.50021	4.5
191.76367	4.0
192.59184	4.0
249.18561	82.0
250.18887	10.0
270.47260	3.9
283.36453	4.3
291.19662	13.0
300.02725	4.4
312.90579	4.5
321.20731	4.5
387.20242	7.5
445.60150	5.2
447.09186	8.8
447.27548	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	447.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
54.21464	0.3
59.01378	100.0
60.01718	1.0
61.98829	1.0
67.81714	0.3
69.43356	2.1
69.43758	0.7
71.01382	5.1
73.02951	0.9
81.40019	0.4
83.01389	0.4
85.02981	1.4
89.02441	4.3
91.72437	0.3
95.01405	0.7
100.41040	0.3
101.02457	3.1
102.45205	0.3
112.80119	0.3
113.02460	2.0
115.77211	0.3
119.03500	2.6
123.08206	0.6
129.89665	0.3
131.19798	0.4
143.03468	0.4
161.04562	3.6
179.05574	1.6
189.12927	1.4
207.13908	2.2
225.15016	0.6
387.20233	6.9
388.20782	1.2
447.22369	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	447.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10201	0.4
55.01880	0.6
57.03440	0.5
58.00587	1.2
59.01376	100.0
60.01709	1.5
61.98825	5.8
69.50939	2.8
71.01382	20.7
72.82632	0.4
72.99310	0.9
73.02966	1.8
83.01405	1.0
85.02956	4.4
87.00919	1.2
87.20449	0.4
88.46660	0.4
89.02451	26.0
90.02802	0.5
95.01422	1.3
99.00898	0.6
101.02449	13.4
104.30513	0.4
113.02458	9.9
119.03510	11.3
119.04339	0.6
120.99667	4.3
121.02995	0.6
131.03537	1.4
143.03517	2.5
144.47868	0.4
149.04616	1.2
159.02968	0.7
161.04572	8.3
162.04909	0.4
164.71019	0.5
179.05627	8.0
195.13974	0.7
225.14960	2.1
226.15190	0.4
288.24841	0.4
387.20242	44.2
388.20587	5.3
429.17270	0.4
437.15784	0.4
447.18948	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2386
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62516	0.6
55.44482	0.6
57.03454	0.8
59.01379	20.4
61.98829	7.7
71.01387	1.2
71.61438	1.4
73.70724	0.5
78.95921	3.9
88.98795	0.9
89.02456	0.8
96.97025	0.8
101.02454	0.6
113.02451	1.1
117.03490	13.4
119.05041	52.9
120.05394	1.8
133.02951	5.3
134.03752	0.9
135.04558	7.4
145.02968	100.0
146.03304	5.5
152.99619	5.3
161.02452	20.6
163.04024	41.9
164.04309	1.5
166.24780	0.7
166.51808	0.7
179.03542	1.5
221.19087	8.7
239.20090	0.7
249.85826	0.7
251.20168	2.4
261.11420	1.2
265.18066	4.7
283.19119	11.4
284.19391	0.8
285.20721	2.6
301.03503	0.7
301.20190	19.9
302.20474	1.2
387.20267	1.2
387.59891	0.7
429.22949	0.9
447.23846	78.2
448.24127	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	447.1874
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90943	0.5
55.01878	1.7
57.03448	2.0
58.00590	1.1
59.01378	100.0
60.01711	1.1
61.98827	14.3
69.59377	1.0
69.59782	2.5
71.01384	33.5
72.01727	0.7
72.99308	1.3
73.02953	6.6
75.00862	0.5
83.01410	3.7
85.02959	10.1
86.00134	0.5
87.00884	1.5
88.98838	1.4
89.02452	19.0
93.03499	1.2
95.01394	2.1
97.03003	0.6
99.00875	2.5
101.02455	23.0
102.02788	0.6
111.00925	0.5
111.04549	0.9
113.02464	13.7
119.03512	8.1
125.02480	0.7
131.03546	1.1
131.07190	1.8
143.03531	3.2
150.66838	0.5
159.03006	2.2
161.04573	13.1
163.11269	0.5
172.89447	0.4
179.05624	5.3
225.07346	0.5
225.11299	1.0
225.15065	1.3
247.71220	0.4
275.11426	3.2
293.12354	5.4
296.76746	0.5
325.16623	8.8
326.16943	1.2
369.15686	1.5
387.16644	1.5
387.20361	24.5
388.20782	2.7
401.16742	0.5
448.22473	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1872
Annotation	Unknow
Peak:m/z	Relative Intensity
56.60098	0.4
57.03445	1.9
58.00596	2.5
59.01377	100.0
60.01722	1.2
61.98829	30.9
63.02470	0.5
65.82928	0.4
68.48381	0.5
71.01385	37.1
71.24897	0.5
71.71691	0.6
72.99296	3.1
73.02962	3.2
74.99110	0.5
75.00882	1.4
81.03450	0.6
83.01387	2.6
85.02944	6.0
87.00885	3.2
89.02451	50.0
90.02801	0.8
93.03477	1.4
95.01412	1.5
95.05050	0.6
96.96020	1.4
97.02998	0.5
99.00906	0.8
99.04551	0.9
101.02455	18.4
105.01987	1.2
107.01410	0.9
107.10281	0.5
109.02974	0.7
109.06620	0.6
113.02467	14.9
116.92877	1.0
118.98108	0.5
119.03518	17.9
120.03920	0.9
120.99683	0.9
121.02990	1.2
125.02483	1.0
127.00456	1.3
127.85934	0.5
131.03488	2.7
143.03532	5.1
145.10176	0.5
149.04568	1.1
151.00407	3.2
159.03043	0.6
161.04575	7.3
163.00435	0.8
167.10847	0.7
177.07825	0.5
177.09227	25.7
178.09566	1.8
178.99869	1.5
179.05630	26.3
179.10806	0.8
180.06023	0.9
181.12411	0.7
183.10306	0.8
185.42174	0.5
189.00563	0.6
189.09239	16.3
190.09482	0.9
191.05641	7.5
192.06068	0.7
197.06422	0.8
199.12965	0.5
207.10233	0.7
225.11383	2.0
225.14957	0.7
227.03510	2.9
243.02997	1.4
243.12399	1.7
244.03450	0.5
245.04536	0.7
249.11305	0.7
255.02985	6.1
255.05597	0.7
256.03601	0.9
271.02435	7.6
272.02979	0.9
284.03397	2.3
285.04047	1.4
300.02747	12.8
301.03510	12.5
302.03751	1.1
357.15665	1.1
359.19199	0.7
369.15457	0.9
387.16223	1.0
387.20349	2.0
405.21323	1.2
430.59421	0.6
447.09253	14.8
447.21054	3.0
447.26492	1.9
448.09708	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.0935
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.6
57.03445	1.6
58.00601	0.4
58.02979	0.6
59.01376	69.4
60.01717	0.5
61.98829	7.5
63.02431	0.4
66.73695	0.3
69.22441	3.0
69.22849	0.6
69.90278	0.3
71.01382	11.3
71.05005	0.3
72.99303	0.5
73.02947	8.1
74.99074	0.4
75.00895	2.1
77.09760	0.4
78.83156	0.3
81.03474	0.6
83.01401	3.1
83.05047	0.4
85.02950	3.7
87.00884	1.2
87.04559	0.3
88.98845	0.9
89.02454	6.0
93.03490	0.4
95.01385	0.7
96.21098	0.3
96.96014	1.0
97.02974	0.4
99.00898	1.3
99.04567	0.5
99.92571	0.3
101.02453	9.9
107.01421	1.2
111.00895	0.4
113.02449	5.3
115.94870	0.3
116.05084	1.1
116.92934	0.3
119.03499	2.0
120.99700	0.4
121.03030	0.3
123.08145	0.3
125.02451	0.8
125.09737	8.0
127.00413	0.9
129.10353	2.6
131.03520	0.8
139.11302	4.8
143.03517	1.3
143.05040	0.3
145.09831	4.6
149.04573	0.7
151.00389	2.0
153.01924	0.7
153.09201	0.4
154.05692	0.3
159.03032	0.5
159.04419	0.5
161.04565	5.3
163.00412	0.7
163.11320	0.8
169.01465	0.4
171.04416	0.7
171.10187	0.7
171.11455	0.7
174.03287	0.4
178.99872	0.8
179.05612	1.1
181.12384	2.9
183.04492	1.2
183.10295	5.1
185.06113	0.5
187.03934	0.6
187.07794	0.3
189.12828	0.3
191.05640	4.2
191.80325	0.3
199.13387	1.6
203.05626	0.4
207.10379	0.7
207.13821	0.8
209.11899	0.6
210.12157	0.6
211.03993	2.2
213.05562	0.5
225.11417	2.9
225.14958	3.8
227.03488	64.8
228.03865	4.6
229.05029	2.0
229.08656	0.3
231.15213	0.5
239.03609	0.7
240.04254	0.4
242.11792	1.3
243.12354	22.0
243.16171	0.8
244.12701	1.3
255.02968	84.4
256.03571	11.8
257.04330	1.5
269.04578	0.5
271.02518	0.4
284.03244	72.2
285.03949	29.4
285.13382	0.7
286.04330	1.4
300.02676	1.0
301.03601	0.4
301.15533	0.5
327.05133	1.2
387.20209	7.6
388.20712	0.5
405.21170	2.2
447.09290	100.0
448.09650	12.8
448.23087	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1357
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	2.0
61.98837	1.5
71.01383	0.5
71.28101	0.5
71.28445	0.2
72.00912	1.0
72.99318	4.5
74.02483	0.6
75.00885	4.0
87.00896	1.4
89.02444	0.3
91.77844	0.2
99.00917	0.5
103.00395	0.7
104.03554	5.8
104.04149	0.2
105.01949	100.0
106.02284	1.8
111.00915	0.3
112.98833	1.1
115.00334	0.3
129.01994	0.3
142.99834	0.2
145.01393	0.3
173.00929	1.0
181.68488	0.2
234.75735	0.3
341.10745	0.3
342.11328	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1357
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	2.0
61.98837	1.5
71.01383	0.5
71.28101	0.5
71.28445	0.2
72.00912	1.0
72.99318	4.5
74.02483	0.6
75.00885	4.0
87.00896	1.4
89.02444	0.3
91.77844	0.2
99.00917	0.5
103.00395	0.7
104.03554	5.8
104.04149	0.2
105.01949	100.0
106.02284	1.8
111.00915	0.3
112.98833	1.1
115.00334	0.3
129.01994	0.3
142.99834	0.2
145.01393	0.3
173.00929	1.0
181.68488	0.2
234.75735	0.3
341.10745	0.3
342.11328	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	3.6
61.98829	100.0
62.92688	0.3
69.79905	1.7
71.01389	0.2
87.03172	0.2
89.02438	0.4
96.96040	0.4
98.20002	0.5
106.90146	0.3
111.04534	0.4
113.97990	0.2
116.91936	0.3
127.84187	0.2
134.89601	0.3
138.05058	0.3
154.06284	0.7
161.04564	0.4
170.49815	0.3
176.04454	1.3
198.62489	0.2
210.66147	0.3
225.24582	0.2
276.68661	0.3
357.05402	0.3
384.78259	0.3
428.06677	0.7
445.26102	0.5
446.26450	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48801	1.6
59.01376	36.3
61.93350	1.4
61.98828	100.0
71.01392	2.6
71.06109	4.7
78.95910	10.1
85.02966	1.6
89.02436	2.0
110.57584	1.5
110.98523	5.3
130.32376	1.8
131.23331	1.6
133.80971	1.7
136.66016	2.0
152.99644	2.1
167.01151	2.3
185.02139	3.5
192.69731	1.6
240.23265	1.8
265.44022	1.7
277.21704	19.7
278.22064	68.7
279.22430	4.3
297.24255	7.7
339.25443	17.4
359.78052	1.8
446.24002	11.9
465.44305	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	447.0934
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04572	0.5
57.03453	1.1
59.01379	37.9
61.98833	6.8
62.43892	0.5
63.02392	1.0
65.00336	1.6
69.36950	3.6
69.37367	0.8
71.01376	5.2
72.99278	0.5
73.02942	2.2
83.01392	2.7
83.05017	0.7
85.02956	1.4
85.54048	0.4
87.00883	1.0
89.02460	6.0
90.66069	0.4
93.03469	0.6
95.01407	0.6
96.96024	1.0
101.02445	3.6
107.01417	4.3
108.02215	1.9
109.02981	2.8
111.00913	0.8
113.02452	2.9
116.92909	0.6
119.01400	1.2
119.03540	2.6
121.02981	4.2
123.08183	0.6
124.01649	0.5
125.02456	0.8
125.09744	1.7
135.00911	1.7
137.09793	0.9
138.08084	0.5
139.11304	5.9
143.03569	0.7
148.01712	2.0
149.02512	0.6
151.00391	21.3
152.00848	0.7
153.01872	0.7
159.04555	0.9
161.04581	1.6
163.00406	5.4
163.11336	0.9
164.01122	1.0
169.01469	1.4
175.03973	0.7
178.99899	10.6
179.05571	3.1
181.12341	4.3
183.04556	1.0
183.10272	6.8
187.04024	1.1
191.05635	3.6
193.01366	0.6
197.06371	0.8
199.04028	1.2
199.13419	2.0
200.04756	0.5
201.05597	0.8
203.03503	0.6
207.10345	0.6
211.04059	1.4
212.04652	0.6
215.03543	0.8
216.04305	0.6
225.11356	6.1
225.14879	0.6
226.02759	1.4
227.03506	6.0
229.05058	1.5
243.02975	11.3
243.12367	32.2
244.03693	1.1
244.12665	2.2
245.04596	2.9
254.02177	2.0
255.02986	36.5
256.03378	3.7
271.02463	62.9
272.02902	6.4
273.04059	2.3
283.02499	3.8
284.03226	5.2
285.03989	1.8
285.13394	5.2
299.01993	1.4
300.02759	100.0
301.03494	84.4
302.03891	5.8
325.20242	0.9
387.20276	2.7
447.09314	98.5
448.09631	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	445.236
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01926	0.3
56.10989	0.3
57.03481	0.4
59.01383	3.9
59.36252	0.3
61.98860	0.8
62.00012	0.3
69.49873	2.7
71.01427	1.0
71.55508	0.3
73.02984	0.3
74.75411	0.3
78.95911	19.6
80.30041	0.3
83.05045	0.4
104.97504	0.8
110.98548	13.9
111.00935	0.3
111.04568	0.7
113.02470	0.4
119.03516	0.4
123.08278	0.3
137.00148	0.5
152.99631	0.7
164.49380	0.3
167.01167	15.2
174.83902	0.3
185.02228	4.2
233.22801	0.4
259.20645	0.4
263.09003	0.5
275.20178	0.6
277.21722	100.0
278.22064	9.6
317.13916	0.4
351.40152	0.3
445.23514	26.1
446.23917	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	445.236
Annotation	Unknow
Peak:m/z	Relative Intensity
58.71624	0.5
59.01377	3.7
61.98835	4.3
69.31747	2.1
69.32178	2.5
71.01337	0.4
73.28285	0.5
78.95915	8.8
89.02447	0.9
110.98544	7.2
138.61507	0.4
139.10197	0.4
167.01196	5.3
185.02226	3.9
259.20856	0.7
277.21725	100.0
278.22052	9.8
445.23471	14.5
445.33151	0.6
446.24368	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	446.1304
Annotation	Unknow
Peak:m/z	Relative Intensity
55.32832	0.3
57.03439	0.5
57.07120	0.3
59.01378	9.2
60.01709	0.4
61.98830	100.0
69.46260	2.6
71.01376	1.4
72.99319	0.5
73.02958	0.6
76.33007	0.3
83.01377	0.6
85.02985	0.3
87.00879	0.4
89.02473	1.0
96.96066	0.7
101.02470	0.8
105.01977	0.4
113.02467	0.8
118.98101	0.8
120.99660	0.8
127.00402	0.5
133.03026	0.3
135.33582	0.3
147.13400	0.3
153.09171	0.4
161.04590	0.6
179.05559	0.3
183.10257	0.5
189.00343	0.4
191.05565	0.5
192.99193	0.3
225.14961	0.8
227.03610	0.4
255.03027	0.6
272.16614	0.4
284.03415	0.3
284.15964	0.4
285.04041	2.6
300.02850	0.5
305.88907	0.3
310.64264	0.3
315.17084	2.7
327.21909	0.6
387.20428	0.5
445.26175	0.4
446.26456	1.2
447.08951	1.5
447.21130	0.8
447.26691	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.1725
Annotation	Unknow
Peak:m/z	Relative Intensity
56.35974	0.2
57.89648	0.2
59.01379	16.2
60.99327	0.2
61.98831	100.0
69.66918	0.2
69.79609	1.2
70.99620	0.2
71.01385	3.5
72.99306	0.2
73.02962	0.5
76.28708	0.2
80.38816	0.2
80.61456	0.2
83.01418	0.2
83.05040	0.2
85.02965	0.6
87.00895	0.4
88.98872	0.3
89.02455	5.0
96.00909	0.2
96.96034	0.2
98.19920	0.3
101.02454	2.3
108.02163	0.2
109.01711	0.3
113.02486	1.5
119.03509	2.0
121.02982	0.2
122.67603	0.2
123.04552	0.7
131.03534	0.3
143.03532	0.4
146.03789	0.2
161.04623	1.2
161.06123	0.5
179.05647	2.4
179.10765	0.2
195.04909	1.3
205.12332	0.5
210.07751	0.2
214.15561	0.2
221.11888	0.3
223.13478	0.3
261.82428	0.2
265.10767	1.0
341.16074	0.4
354.06427	0.2
367.17438	0.2
384.18546	0.2
385.18915	0.3
399.97717	0.2
426.24612	0.2
434.77490	0.2
444.25433	0.4
445.11761	0.4
445.26364	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.4
55.67728	0.3
57.03453	1.0
58.00596	1.2
59.01379	100.0
60.01708	1.2
61.98830	1.1
69.68116	0.6
69.68525	1.9
70.03012	0.4
71.01386	22.8
71.05007	0.5
72.01733	0.4
72.27020	0.3
72.99297	1.8
73.02974	1.3
74.02466	0.6
75.00867	0.4
81.03478	0.7
83.01420	0.9
85.02958	3.4
87.00881	2.0
89.02453	38.1
90.02790	0.9
95.01409	1.1
96.96027	9.4
96.96626	0.7
99.04531	0.7
101.02456	13.0
111.04531	0.7
113.02463	10.4
119.03519	15.0
119.04355	0.8
120.03869	0.5
123.04546	1.4
125.02472	4.8
130.03380	0.4
131.03566	1.8
143.03548	4.0
146.08250	3.7
149.04579	1.4
161.04561	5.6
167.03508	5.0
169.68796	0.4
177.95142	0.3
179.05635	19.2
180.06024	0.9
195.04861	0.5
249.56306	0.3
265.10663	0.6
277.12323	4.2
311.66528	0.3
359.10150	6.2
401.11310	5.3
427.21799	0.4
445.09921	2.6
445.26105	1.7
446.20840	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28713	0.3
57.03436	0.9
58.00595	0.7
59.01377	100.0
59.22309	0.4
60.01715	1.1
61.98837	2.8
63.16428	0.4
69.59723	1.8
69.60129	0.7
71.01386	14.7
72.99300	0.7
73.02946	2.0
83.01413	0.8
85.02975	3.3
87.00882	1.3
88.98830	1.3
89.02451	17.7
95.01402	0.7
98.20597	0.5
99.00919	0.9
101.02454	10.1
110.34957	0.4
113.02467	6.5
117.40787	0.3
119.03522	7.6
130.08778	0.7
131.03508	0.8
143.03487	2.2
149.04637	0.5
153.09290	0.6
159.03096	0.8
160.68307	0.4
161.04570	8.6
165.09337	0.9
166.29326	0.4
167.31323	0.4
179.05627	9.5
179.07182	0.6
179.10826	0.6
180.05908	0.5
195.14023	0.4
205.12361	1.0
221.08107	0.4
221.12050	0.4
223.13422	3.8
235.13371	0.6
265.14398	0.9
271.47855	0.4
283.11841	0.4
385.18488	2.3
417.34024	0.4
445.20929	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	0.3
57.03447	0.9
58.00588	0.7
59.01377	100.0
60.01704	1.3
61.98829	0.4
63.41662	0.3
67.06504	0.3
69.03460	0.6
71.01383	15.0
72.59093	0.3
72.99310	0.9
73.02949	3.0
83.01392	1.7
85.02956	5.4
87.00895	1.0
89.02447	15.5
95.01399	0.8
96.96012	0.5
97.02944	0.4
99.00880	0.8
101.02447	9.8
102.98604	0.4
107.05077	0.5
111.04484	0.3
113.02457	7.0
119.03517	6.3
123.08197	0.4
131.03543	0.8
137.09796	0.3
143.03505	1.4
149.04610	0.6
153.09140	0.3
161.04556	2.0
163.11298	0.4
179.05649	1.9
190.68472	0.3
205.12337	5.1
206.12701	0.5
218.39337	0.3
223.13467	0.9
241.14400	0.3
335.86417	0.3
341.15964	2.5
342.16138	0.4
367.17706	2.0
385.18671	16.7
386.18875	1.8
403.19748	8.4
404.19849	0.5
445.20749	9.8
445.25806	0.6
446.21152	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	443.1923
Annotation	Mitoxantrone
Peak:m/z	Relative Intensity
54.64690	0.3
55.01867	1.6
57.03448	2.4
58.00582	1.7
59.01379	42.1
60.01693	0.5
61.98814	1.1
69.79839	0.3
69.83585	0.3
69.91850	2.2
70.47141	0.4
71.01385	28.8
72.01707	0.4
72.99305	1.7
73.02948	7.8
83.01390	4.0
83.05058	0.9
85.02959	9.8
87.00896	1.3
88.98824	2.3
89.02453	15.7
95.01407	2.6
95.05045	0.6
96.96022	2.8
97.02981	0.8
99.00903	1.8
99.92607	0.4
101.02452	20.6
111.04513	1.3
113.02465	10.3
114.93007	0.3
115.03993	0.5
116.53625	0.4
116.92946	0.4
119.03519	5.8
121.06583	0.5
123.08186	0.8
124.05328	1.1
125.02444	0.5
131.03543	0.5
133.06596	0.4
135.04491	0.6
137.06148	0.5
139.07669	7.3
143.03537	0.8
149.04579	0.4
151.07671	0.7
160.79039	0.3
161.04662	1.8
168.07933	3.4
171.11790	0.6
179.05624	0.5
189.00377	0.6
189.12851	1.1
191.05673	1.9
191.10828	3.3
203.10875	0.5
209.11813	1.4
219.13910	0.9
221.11882	1.7
235.58499	0.4
237.14977	1.1
239.12852	2.4
251.93788	0.4
332.26285	0.4
339.23956	0.4
357.08710	1.2
383.17206	1.0
443.19208	100.0
444.19556	11.9
444.24506	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.229
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	3.1
59.01122	1.3
59.01373	7.7
61.98836	6.6
62.44218	0.9
68.99561	1.3
71.01387	24.9
71.71438	1.5
72.99319	7.0
73.02966	1.6
79.95762	1.0
83.01369	1.1
85.02965	9.0
90.01525	1.0
96.96021	20.5
97.06596	2.8
98.95598	5.0
100.18197	1.0
101.02477	1.7
111.04519	1.8
112.98570	1.9
114.93433	1.2
115.00391	9.5
127.11298	1.0
133.01457	4.0
137.09726	1.4
171.10289	23.2
172.10701	0.9
183.13899	1.6
185.11838	1.4
193.12344	1.1
206.99232	1.1
211.13359	8.3
221.11850	1.3
229.14424	5.4
239.12880	1.8
283.06323	1.9
291.19760	1.7
327.21756	100.0
328.22040	12.9
341.10754	1.0
353.18149	1.2
357.12210	11.9
381.13287	1.2
399.13287	8.8
425.21906	3.4
443.08521	3.8
443.23392	8.3
444.13513	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	443.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70730	0.7
54.28668	0.6
55.01879	1.9
57.03449	5.4
58.00582	1.0
59.01379	100.0
60.01700	1.2
61.34569	0.6
61.98819	0.8
66.57462	0.5
69.03463	0.9
69.88625	3.9
70.11557	0.6
70.67610	0.6
71.01385	31.1
72.99313	1.3
73.02950	29.6
74.37783	0.5
74.70618	0.5
75.00871	0.7
75.58080	0.5
83.01394	7.8
85.02954	9.7
87.00900	1.6
89.02453	9.5
91.69352	0.6
93.24564	0.6
93.32613	0.6
95.01405	1.9
95.05063	0.7
96.96030	0.6
97.02988	2.7
97.91769	0.6
99.00900	1.5
99.04530	0.7
101.02455	24.1
101.03120	1.3
107.05126	1.0
109.02977	0.6
109.06630	2.5
111.04546	1.3
113.02470	12.7
119.03504	2.9
121.06638	1.9
122.03745	4.0
124.05325	12.5
125.02527	1.0
125.06166	1.6
127.04019	1.1
131.03542	1.7
133.06627	3.0
135.04494	1.7
137.06102	5.2
139.07668	75.7
140.08034	3.2
143.03583	1.9
147.08231	1.0
149.04581	1.9
149.06017	0.6
149.09717	3.9
150.06854	1.3
151.07684	5.7
159.03052	0.7
161.04555	10.9
163.07692	1.5
168.07936	39.9
169.08453	2.1
173.09770	0.9
175.07726	1.8
176.08484	2.2
179.05659	1.1
179.10782	3.9
191.10796	36.2
192.11142	1.8
203.10815	4.7
209.11829	11.7
218.71071	0.6
221.08537	0.8
221.11839	19.1
222.12210	1.2
233.25400	0.8
239.10435	1.6
239.12885	29.7
240.13206	1.9
353.15979	4.2
371.17386	1.8
383.17191	9.8
401.18365	2.8
413.18408	2.0
443.19443	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	443.1561
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14743	0.5
55.05254	0.5
57.03443	1.3
57.90651	0.5
59.01377	33.2
60.01707	0.8
60.50494	0.5
61.98828	4.7
69.03451	1.1
69.68664	4.0
71.01381	6.7
71.05006	1.0
72.99308	0.7
73.02942	2.9
78.31727	0.5
78.95912	8.8
80.02731	0.4
80.96342	1.0
83.01394	1.4
85.02944	2.0
87.00888	0.9
89.01915	0.9
89.02445	6.2
91.01857	0.6
95.01351	0.7
96.96026	1.7
96.96977	3.2
99.00906	0.7
99.92572	0.6
101.02452	4.3
109.02956	3.4
111.04527	1.1
113.02441	3.0
115.92102	0.7
117.03460	1.0
118.98098	2.7
119.03503	2.2
123.04572	0.6
123.08167	0.5
127.00414	0.6
130.04262	3.2
130.08688	0.6
135.00914	1.6
137.02473	0.7
143.03488	0.7
143.04953	0.8
145.02975	2.2
149.06117	0.6
153.01907	2.6
157.06575	0.6
157.08673	0.6
159.08176	3.7
160.01707	1.4
161.04544	1.1
163.11392	0.7
173.02444	8.6
174.03220	25.2
175.03549	1.6
179.05602	1.4
189.00473	0.6
193.05101	0.7
203.07143	100.0
204.07480	7.6
207.10330	1.8
221.11795	0.7
237.14957	1.1
241.50653	0.7
247.71350	0.6
281.10944	0.8
281.13916	6.5
282.14246	0.7
341.10706	0.7
356.87430	0.5
414.07974	0.6
443.14984	3.2
443.24429	2.2
444.25156	0.9
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
57.03445	1.1
59.01381	69.0
60.01705	1.2
61.98835	9.7
69.03458	9.5
69.81513	6.5
71.01385	6.3
71.05027	24.8
72.99308	1.2
73.02938	2.6
77.04020	1.0
78.95892	1.3
83.01379	1.8
84.96520	0.8
85.02963	2.4
87.00857	1.3
89.02454	3.8
96.96023	6.0
98.19858	0.9
99.00883	1.9
100.30670	1.1
101.02454	6.1
111.04527	1.3
113.02465	3.0
116.92871	1.1
118.98063	2.3
119.03542	2.1
121.02980	11.1
127.00385	1.5
128.03548	1.3
134.03773	5.7
139.55135	1.0
143.04655	1.4
147.00856	1.2
149.09720	3.8
152.01112	1.8
161.02454	4.2
161.04611	1.3
177.09285	5.5
189.00392	1.3
193.08589	1.8
214.44293	1.0
219.02991	1.1
221.08192	100.0
222.08565	5.7
235.53658	1.1
281.17395	1.0
341.11148	1.4
357.12265	4.8
443.12311	2.5
443.17947	1.4
443.23523	5.7
444.24606	1.2
449.99734	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	2.7
55.76487	0.5
57.03441	2.3
58.00592	0.7
59.01378	17.4
59.22302	0.5
61.98824	2.3
69.03465	0.8
69.85479	3.5
71.01385	24.3
72.99300	1.4
73.02946	16.1
75.00876	1.3
78.95901	0.8
83.01386	7.3
85.02958	13.3
86.00111	0.8
87.00883	1.5
88.98820	0.5
89.02444	5.8
93.46790	0.6
95.01411	1.9
96.95973	1.3
96.96978	1.5
97.02983	1.5
99.00871	6.3
101.02453	30.6
102.02809	0.8
111.00896	1.3
113.01719	0.9
113.02459	11.8
113.03583	0.8
114.02763	0.5
114.05630	1.9
115.04087	1.2
115.92104	1.3
116.92863	3.5
123.04510	0.6
125.02461	1.8
130.08713	1.1
131.03510	1.4
131.04622	1.4
143.03516	1.3
149.02422	0.6
149.06068	0.6
159.03033	2.6
161.04567	10.8
167.34790	0.6
173.08197	1.5
189.00626	0.6
193.05051	3.1
227.14037	1.0
233.06702	1.0
249.13417	31.1
250.13797	2.2
311.93903	0.6
326.20901	0.7
381.17654	100.0
382.18045	9.3
397.11307	0.7
441.18301	1.3
441.23553	3.5
447.65103	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	0.7
58.00589	0.3
59.01067	0.5
59.01376	15.3
61.98829	100.0
71.01382	5.2
71.70464	0.5
72.99329	0.5
73.02944	3.9
78.95900	0.5
79.95760	0.4
83.01395	1.4
85.02529	0.3
85.02942	1.5
87.00873	0.4
89.02465	1.7
96.95387	0.6
96.96021	11.9
97.02998	0.5
97.95975	0.5
98.95622	1.3
99.00889	0.4
101.02447	3.7
103.00403	1.2
107.04989	0.3
109.02995	0.4
109.06622	0.8
111.04543	0.7
113.02479	1.5
116.92866	0.5
118.98147	0.4
119.03554	0.5
121.06651	0.4
122.03763	0.8
124.05348	1.6
128.03577	0.6
129.01917	0.3
133.06606	0.4
135.04591	0.5
137.06117	0.7
139.07674	10.1
148.05161	0.3
149.09769	0.5
150.06831	0.4
151.07692	0.9
152.99591	0.3
153.09280	0.5
161.04572	1.3
163.07690	0.5
168.07941	4.9
168.10762	0.3
169.08665	0.3
177.01907	2.0
179.10880	0.9
191.05803	0.4
191.10800	5.0
203.10832	0.9
209.11847	1.6
219.06636	0.4
221.04503	0.3
221.11784	3.6
221.13754	0.4
239.12881	3.4
256.99734	0.4
265.92184	0.4
309.22781	0.3
339.07291	0.5
341.07318	0.4
344.03305	0.9
353.16101	0.7
355.06830	0.7
356.07294	2.5
356.10709	0.3
357.08667	1.6
383.17203	1.3
397.08392	0.5
398.08319	3.2
399.09045	1.2
401.18204	0.6
442.07336	1.1
442.26926	0.5
443.12610	0.5
443.19266	1.1
443.25021	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	439.27
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15031	0.9
55.47055	0.8
56.66277	0.8
59.01375	9.2
61.98820	2.6
69.03437	0.9
69.85271	5.1
71.01381	24.1
72.99313	1.2
73.02942	2.6
73.41946	0.9
75.00866	4.9
83.01377	1.3
85.02964	4.6
89.02456	3.9
95.01406	1.1
98.19980	1.4
101.02459	6.0
101.84213	0.8
109.33184	0.8
110.02335	0.8
112.98971	0.9
113.02472	11.6
113.96282	0.8
125.02430	1.3
143.03496	0.9
156.33020	0.8
161.04552	1.0
175.90610	0.9
178.87552	0.7
212.67560	1.0
271.22635	1.2
277.21713	100.0
278.22089	10.1
284.64041	1.0
287.23621	1.2
291.23221	3.6
301.21725	3.5
319.22806	12.0
320.22964	2.0
324.90234	1.0
331.22845	3.5
347.25754	1.1
349.23819	2.9
365.27008	4.1
365.38007	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.0864
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45361	0.4
59.01381	6.4
59.85994	0.4
61.98832	5.4
67.35577	0.4
68.99584	2.2
71.01382	1.5
71.31676	0.7
73.02948	1.0
73.62491	0.4
76.86411	0.4
79.95733	2.3
80.96532	1.5
83.01359	0.5
85.02934	0.6
86.08829	0.4
95.95258	0.7
96.96023	100.0
97.95908	0.4
101.02469	0.9
112.98589	3.0
138.97148	0.5
140.48909	0.4
220.49619	0.6
235.17114	0.5
241.00227	1.2
279.16318	1.4
283.06339	0.5
284.06561	0.4
343.68661	0.6
369.18576	1.2
379.04266	0.7
381.13800	0.7
441.08603	83.9
442.08960	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	441.1038
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	5.0
61.98828	0.9
63.36133	0.6
69.59406	4.4
69.59814	1.2
76.00362	0.8
96.96029	1.4
98.20699	1.4
105.03464	1.6
105.07144	0.9
107.01395	2.3
107.05019	1.1
108.86569	0.7
119.05045	1.3
123.04527	0.7
149.02460	19.1
149.06073	7.5
150.02757	1.1
151.04102	0.6
156.61981	0.7
161.02467	5.7
163.04051	1.0
166.06375	0.9
175.07684	0.9
175.65707	0.7
181.17778	0.7
191.03548	1.6
193.05067	100.0
194.05386	5.5
217.05147	0.9
219.06633	8.1
220.21497	0.6
235.06102	3.7
277.12289	1.9
355.10345	1.4
397.11398	58.2
398.11771	5.9
441.17703	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	441.1039
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11222	0.2
59.01375	1.8
61.98820	0.8
65.00317	0.4
70.00516	1.5
81.03439	0.7
98.20588	0.3
98.33120	0.3
105.03483	1.8
105.07126	0.9
107.01402	3.0
107.05035	0.7
108.32606	0.2
109.34481	0.3
119.05061	0.5
123.04504	0.7
131.05045	0.3
135.04590	0.4
147.04652	0.3
149.02454	21.7
149.06082	7.8
150.02797	1.1
150.06421	0.3
151.04024	0.6
161.02449	0.7
163.04024	0.7
164.04842	0.4
175.04062	0.9
191.03508	1.6
192.04306	1.1
193.05058	100.0
194.05371	4.9
217.05038	0.7
219.06686	0.9
235.06129	3.0
241.10777	0.6
307.25226	0.3
355.10364	1.1
397.11398	52.5
398.11728	5.2
403.16180	0.5
441.28180	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94386	0.4
52.76175	0.4
55.01836	3.1
57.03442	3.5
58.00551	1.8
59.01378	27.5
59.01646	1.4
60.01681	0.4
61.98828	7.2
65.93160	0.4
68.99802	0.6
69.03408	1.4
69.76991	1.5
69.77417	1.3
71.01383	43.6
72.01690	0.8
72.99311	2.7
73.02948	22.1
74.03281	0.5
74.99075	1.4
75.00867	2.1
78.95904	3.0
79.95705	0.5
80.47257	0.4
81.03416	0.4
81.28072	0.4
83.01384	9.9
85.02953	21.8
86.00047	1.4
87.00869	2.7
88.98793	0.4
89.02453	10.4
93.03410	1.2
93.63715	0.4
95.01413	3.0
96.96018	13.9
96.96957	6.8
97.02953	2.1
99.00890	10.0
99.04481	0.6
99.08157	0.5
101.02451	41.9
102.02759	1.0
107.04981	0.5
109.06608	2.7
111.00900	2.7
113.02456	16.4
115.03967	1.5
115.92037	0.7
117.91824	0.5
119.03472	1.5
119.04997	0.7
120.99625	0.7
123.04494	0.7
124.07594	0.5
125.02456	2.9
127.11262	0.5
129.01891	1.5
131.03479	2.1
133.69318	0.4
134.06120	0.4
136.99095	1.4
137.06033	0.4
138.05623	0.5
141.01904	0.8
141.89568	0.4
141.96132	0.4
143.03534	2.3
143.10760	0.8
145.08720	0.8
145.12279	0.8
149.04512	1.1
159.03032	4.1
161.04575	13.9
162.04887	0.7
167.79620	0.4
175.03978	0.6
179.05565	1.0
187.13448	0.6
189.00397	0.6
191.05629	2.8
205.03499	0.6
217.12476	0.7
217.14442	12.2
218.14764	1.2
233.06602	2.3
277.10730	0.7
293.08762	1.2
307.17612	54.1
308.17929	4.6
341.10635	0.7
359.00854	0.9
377.13760	0.8
397.17218	0.5
419.29083	0.4
439.21930	100.0
440.16660	0.9
440.22211	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	439.2702
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.9
57.03450	1.9
58.00585	2.2
59.01377	20.0
60.01697	0.4
61.98824	1.7
69.03455	1.0
69.84591	0.4
70.14471	0.9
70.14900	1.0
71.01384	30.0
72.01730	0.4
72.99314	1.8
73.02950	9.8
75.00874	5.2
83.01384	2.2
83.05023	1.0
84.02178	1.0
85.02961	8.6
87.00880	0.7
89.02443	5.6
95.01405	3.0
97.02950	0.8
97.06602	1.0
101.02447	8.0
111.08170	0.8
113.02464	18.2
119.03497	1.9
125.02446	0.8
125.06084	1.5
127.07652	0.6
131.70940	0.4
139.07654	1.8
143.03474	0.9
147.02995	0.6
153.12727	0.5
155.14394	0.7
161.04591	1.9
177.09229	0.4
205.19666	0.7
233.22716	0.6
255.21115	1.0
257.22684	0.9
259.20602	0.6
261.22278	0.9
263.23798	1.4
273.22229	5.5
274.22641	0.8
275.20233	0.5
277.21710	100.0
278.22076	9.5
287.23849	1.3
289.21786	1.1
291.23297	30.0
292.23584	3.4
301.21719	5.7
302.22134	0.8
303.23242	1.5
319.22781	15.8
320.23148	1.8
331.22778	7.0
332.23166	0.9
349.23807	4.2
373.23581	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2701
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	1.6
58.00583	1.6
59.01110	1.2
59.01379	14.6
61.98833	4.6
69.03458	1.5
71.00208	1.0
71.00555	1.7
71.01382	31.3
71.01782	1.5
72.99290	1.1
73.02954	8.0
75.00876	10.2
80.75528	0.6
83.01367	1.2
84.02168	0.7
85.02950	9.2
87.00885	0.7
89.02445	6.6
89.93694	0.7
94.13351	0.6
94.13953	0.6
94.71133	0.6
95.01393	3.5
96.95937	0.6
97.02943	1.5
97.47095	0.6
101.02441	8.2
113.02463	20.9
114.02792	1.1
143.03522	1.1
161.04585	2.5
263.23526	1.1
273.22086	2.8
277.21716	100.0
278.22079	9.9
287.23834	2.8
289.21695	1.1
291.20215	0.6
291.23294	10.6
301.21823	3.2
303.23300	1.1
319.22778	25.5
320.23169	2.9
331.22803	6.1
332.22812	0.9
349.23825	5.1
402.57120	0.7
439.32275	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.182
Annotation	Unknow
Peak:m/z	Relative Intensity
55.60077	1.0
57.03445	1.7
58.00592	2.2
59.01377	85.9
60.66566	1.1
61.98832	5.7
69.03458	2.2
70.88652	2.7
71.01385	51.3
72.99306	4.3
73.02949	15.2
78.95906	13.7
79.95720	1.8
81.03445	1.5
83.01382	3.0
85.02959	9.1
87.00872	3.0
89.02449	69.8
93.03455	1.7
95.01405	3.0
96.96017	52.1
96.96975	25.5
97.02988	1.5
97.06575	1.3
98.95599	10.3
98.96514	1.3
99.00891	18.7
99.92590	29.5
100.92651	2.2
101.02450	34.5
108.02184	1.4
109.06615	2.4
109.24174	1.1
113.02468	16.3
115.92082	36.7
116.92072	3.1
116.92872	12.0
119.03497	15.1
125.02445	5.7
127.04002	1.8
128.15047	1.0
131.03525	9.6
133.02968	1.3
134.06119	1.4
135.39702	1.1
137.07097	1.2
141.93579	6.7
143.03516	3.6
149.02585	1.6
149.04581	28.2
161.04549	4.6
165.90764	1.4
169.93098	3.5
171.94630	1.3
176.01173	5.6
177.01938	60.6
178.02341	1.8
179.05659	6.4
189.00430	1.4
191.05646	9.7
221.06708	1.8
222.49550	1.2
224.94955	1.5
235.11864	3.0
242.96016	5.9
243.96794	1.9
247.11816	1.8
251.07700	2.5
259.08170	2.0
259.94141	4.6
260.94864	10.5
260.97198	4.6
261.95258	2.6
261.97818	16.4
262.97980	2.1
276.08777	1.2
277.09018	3.5
339.07288	13.6
379.16089	100.0
380.16495	11.0
397.17340	6.6
424.33029	1.3
435.17770	1.4
438.99637	9.0
439.08401	2.5
439.16348	6.1
439.99966	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.0757
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49469	0.3
61.83548	0.3
69.69558	1.4
69.69977	0.6
78.95909	44.8
79.95739	1.5
96.92264	0.4
96.96025	97.8
96.96970	100.0
124.57204	0.3
137.54793	0.3
143.52208	0.3
178.94586	0.3
183.89055	0.3
184.06950	0.3
211.85233	0.3
341.10992	0.7
387.09830	0.4
439.08499	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.0863
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07457	0.2
56.77248	0.3
67.77682	0.2
71.01385	0.4
78.95908	39.8
79.95741	1.6
92.60263	0.3
96.92286	0.3
96.96027	81.8
96.96970	100.0
97.95961	0.5
98.20791	0.5
101.02441	0.3
118.71436	0.2
138.97778	0.3
150.66171	0.2
158.27814	0.2
160.79858	0.3
179.05659	0.4
226.15251	0.3
229.21251	0.4
246.90892	0.2
256.55688	0.2
341.11026	0.6
393.79120	0.2
439.08694	2.9
440.09216	0.3
447.69626	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1609
Annotation	[3aR-(3aR*,5E,7R*,9Z,11aR*)]-2,3,3a,4,7,8,11,11a-Octahydro-7-hydroxy-6-methyl-3-methylene-2-oxo-, beta-D-glucopyranosyl ester cyclodeca[b]furan-10-carboxylic acid
Peak:m/z	Relative Intensity
51.55619	0.2
55.01872	1.0
57.03439	0.7
58.00603	1.4
59.01379	22.1
60.01693	0.3
61.98827	6.9
67.01892	2.9
69.40031	2.6
71.01383	14.3
72.01722	0.3
72.99309	1.0
73.02951	1.7
73.20507	0.2
74.02493	0.5
78.95900	0.5
79.05537	2.1
83.01400	1.7
85.02952	4.5
87.00880	0.6
89.02454	7.9
95.01403	1.3
96.96017	1.6
96.96954	0.5
99.00902	0.9
101.02451	7.3
105.07072	0.3
107.01399	0.4
107.05041	11.0
108.05376	0.4
113.02464	4.6
116.92883	0.8
117.01767	0.2
119.03508	2.3
121.02970	0.3
129.07143	0.3
129.10309	0.3
130.42154	0.2
131.08688	1.0
133.06528	0.2
143.03404	0.2
149.06070	0.2
161.04576	0.3
171.11572	0.6
173.09756	0.3
175.07655	21.3
176.08005	1.0
179.03572	0.2
191.69710	0.2
197.09740	1.4
197.56407	0.3
199.07654	1.7
200.08437	0.7
215.10767	43.0
216.11108	3.7
219.06628	2.3
233.08281	0.3
233.11829	5.0
234.12062	0.5
241.08641	1.9
242.11916	0.3
243.06485	0.2
259.09732	20.3
260.10135	1.9
261.11383	0.6
267.63956	0.2
277.10742	3.4
376.18756	2.2
377.18967	0.4
395.17181	0.4
439.16080	100.0
440.16455	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	437.2407
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57755	0.5
55.47773	0.5
58.59703	0.5
59.01366	1.5
61.98830	100.0
71.61320	0.5
71.61677	0.6
73.02918	0.6
75.56230	0.5
79.05074	0.4
88.98830	1.0
99.92595	0.7
129.47479	0.4
190.05074	4.2
193.56059	0.5
203.07175	1.3
204.07347	1.0
377.24475	6.2
378.24973	0.8
437.26709	6.1
438.26996	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.1618
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	22.8
61.98830	100.0
69.30005	7.2
69.30421	2.2
71.01388	3.5
73.02940	2.7
74.29055	0.9
78.95919	2.2
83.01399	1.2
87.58019	0.8
89.02425	1.7
96.96026	5.6
96.96981	2.9
101.02440	2.5
113.02498	1.4
143.10826	1.2
161.04561	1.6
189.00467	1.0
233.15327	1.0
239.19270	0.9
302.96002	0.9
431.24417	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.1618
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03333	0.3
58.99601	0.4
59.01377	22.4
60.01702	0.4
61.98830	100.0
71.01392	2.7
71.57590	0.5
72.99357	0.3
73.02963	1.2
78.46085	0.3
85.02972	1.1
96.96010	2.6
96.96970	0.8
99.00886	0.5
101.02458	2.2
102.98600	3.0
113.02484	0.9
128.03563	0.3
139.63445	0.3
159.03008	0.3
160.52380	0.3
161.04680	0.5
197.73363	0.3
203.07188	0.4
229.46494	0.4
230.16531	0.3
235.09846	0.8
275.09311	0.4
289.16550	2.2
331.17731	0.7
375.27451	0.5
378.27682	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.2708
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	0.2
59.01376	2.7
60.01690	0.1
61.98829	100.0
62.98533	0.2
71.01389	0.8
71.71929	0.2
73.02954	0.8
78.95917	0.5
79.95733	0.1
83.01406	0.3
85.02963	0.3
89.02425	0.2
96.96019	1.6
96.96947	0.6
99.00897	0.3
101.02457	0.5
108.02193	0.3
116.29733	0.1
119.44827	0.1
127.00362	0.2
133.02986	0.2
133.06627	0.2
134.03311	0.2
145.01463	0.2
148.01726	0.2
155.52293	0.1
157.03101	0.1
159.04547	0.2
160.04901	0.2
161.02473	0.2
161.04718	0.1
162.02835	0.2
173.02480	0.2
173.06032	0.2
174.02847	0.2
174.06477	0.1
189.00517	0.3
189.05577	11.4
190.05910	12.4
191.06134	0.9
215.01616	0.2
215.03513	2.0
216.03828	2.5
233.04495	0.3
234.04897	0.5
352.11020	0.2
394.12149	0.2
438.11118	7.0
439.11288	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.1583
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	13.5
61.80252	2.0
61.98833	23.2
70.10744	9.1
70.11102	2.3
71.01375	5.0
73.02954	2.4
78.95905	7.1
85.02951	2.7
87.00840	2.8
89.02467	3.9
95.01376	1.9
96.96029	34.3
96.96981	2.1
99.00943	2.9
101.02515	2.9
103.29990	2.0
111.00912	1.9
113.02459	2.8
115.92074	2.7
119.05090	2.0
120.01277	6.0
121.02970	6.4
132.04521	2.0
135.04488	2.6
136.04036	2.6
153.01930	1.8
157.08739	4.6
159.05824	1.8
177.01949	32.6
179.05609	3.1
185.02200	3.0
191.05649	11.0
224.52596	2.0
230.26740	2.1
255.11371	6.7
261.04007	2.1
273.12241	2.6
275.05792	2.6
276.03513	2.3
281.16885	2.5
339.07224	3.4
365.10333	5.9
375.06964	3.4
401.18201	2.1
437.10522	4.8
437.15869	100.0
438.16187	9.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.1089
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.2
57.03451	0.7
58.00585	0.2
59.01377	11.1
60.01724	0.2
61.98830	27.8
65.00319	0.3
67.01897	0.3
69.75002	1.1
71.01391	2.7
73.02948	3.4
75.00857	0.2
77.38638	0.1
78.95883	0.1
81.64462	0.1
83.01410	0.8
85.02970	0.5
87.04508	0.3
89.02448	0.3
93.03471	0.2
95.01395	0.2
96.96028	0.2
99.00894	0.3
101.02470	1.4
105.03503	0.2
106.94305	0.1
108.02165	1.7
113.02464	0.5
121.02926	0.4
125.02465	0.2
127.00391	0.5
131.05069	0.3
131.39426	0.1
132.02225	0.6
133.02979	2.5
133.06622	0.8
134.03581	0.2
135.00908	0.7
135.04514	0.2
143.05069	0.5
144.04588	0.2
145.02911	0.3
145.06560	0.2
146.03767	0.4
148.01666	1.9
151.07669	0.4
159.04514	1.5
161.02452	0.7
161.06114	0.7
162.03018	0.2
163.00320	0.2
171.04518	0.5
172.01645	0.2
173.02425	1.3
173.06091	1.2
174.03220	0.5
177.05533	0.3
178.02768	0.3
183.78598	0.1
187.04024	0.8
188.04700	0.3
188.73187	0.2
189.05577	100.0
190.05907	6.2
200.01193	0.8
206.02309	0.2
213.05548	0.3
215.03502	17.7
216.03810	1.1
217.05037	0.2
217.14484	0.9
218.14790	0.8
219.14983	0.2
227.12889	0.2
231.06508	0.2
232.03697	0.2
233.04539	3.4
301.61496	0.2
308.04553	0.2
333.09909	0.9
351.10745	1.0
377.08597	0.3
377.29117	0.8
393.11880	1.1
395.09662	0.4
437.10843	35.4
438.11182	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	437.109
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16520	0.1
55.01870	0.2
57.03452	0.4
59.01379	10.1
60.01723	0.2
61.98831	13.7
65.00335	0.3
67.01875	0.3
71.01385	2.8
71.57401	0.1
72.99327	0.1
73.02949	3.0
75.00869	0.2
75.98533	0.1
83.01393	1.0
85.02966	0.7
87.00878	0.3
87.04507	0.2
88.98838	0.2
89.02459	0.3
91.01907	0.2
95.01389	0.2
96.96030	0.2
97.02952	0.1
97.06621	0.2
99.00893	0.3
99.04507	0.2
101.02462	1.7
105.03477	0.2
108.02178	2.1
113.02459	0.5
115.05555	0.2
117.03474	0.2
119.01382	0.1
121.02959	0.2
125.02465	0.2
127.00385	0.5
131.05067	0.3
132.02162	0.8
133.02979	2.2
133.06604	0.8
135.00897	0.8
135.04562	0.2
137.02522	0.1
137.58026	0.1
143.05048	0.5
145.02922	0.2
146.03748	0.3
147.04553	0.1
148.01660	1.9
151.07646	0.6
159.04536	1.6
161.02487	0.6
161.04695	0.2
161.06093	0.8
163.00340	0.3
163.03911	0.1
171.04535	0.7
172.01724	0.1
173.02521	1.1
173.06076	1.5
173.11810	0.1
174.03142	0.6
175.07619	0.5
177.05472	0.2
178.02699	0.2
179.03279	0.1
183.51549	0.3
185.02435	0.1
185.06120	0.1
187.04044	1.0
188.04810	0.4
189.05582	100.0
190.05919	6.0
190.95129	0.1
191.05521	0.1
198.03230	0.1
200.01132	0.7
206.02251	0.1
209.11920	0.2
213.05577	0.3
215.03508	17.8
216.03802	1.2
217.05038	0.4
217.14459	0.7
218.14796	0.7
219.06696	0.2
219.14978	0.1
227.12839	0.1
229.05063	0.1
231.06577	0.3
233.04547	3.7
234.04921	0.1
273.07626	0.1
274.08420	0.1
275.09204	0.2
320.16223	0.1
333.09689	0.8
351.10861	0.9
377.08560	0.3
377.28476	0.1
393.11807	1.2
394.12134	0.2
395.09656	0.3
437.10770	33.3
438.11069	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	435.2518
Annotation	1-Oleoyl Lysophosphatidic Acid (sodium salt)
Peak:m/z	Relative Intensity
59.01376	0.4
60.17387	0.2
61.98822	0.6
62.96383	0.2
69.79736	1.5
78.76495	0.2
78.95910	49.4
80.31163	0.2
96.96973	6.1
98.19958	0.3
118.89982	0.3
126.03512	0.2
135.48973	0.2
144.58586	0.2
150.98044	1.6
152.99603	100.0
153.99939	1.6
154.64557	0.2
159.85977	0.4
171.00662	3.8
231.11589	0.2
247.99608	0.2
280.03647	0.2
281.24750	1.0
435.25159	10.1
436.25363	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60360	0.1
54.03798	0.1
56.18182	0.1
59.01378	3.5
60.01695	0.3
61.01825	0.2
61.98829	100.0
62.98521	0.3
63.42016	0.2
63.99251	0.9
70.00748	0.6
70.01164	0.3
71.01385	0.6
73.01829	0.1
73.02958	0.5
82.31938	0.2
83.01419	0.2
85.03007	0.3
89.02498	0.2
93.32109	0.1
96.96006	0.7
97.60705	0.1
98.20055	0.2
99.00896	0.2
101.02446	0.2
127.00478	0.2
187.43361	0.1
189.05611	1.2
192.10791	0.1
201.11377	0.2
215.03542	0.2
222.69272	0.1
342.60159	0.1
377.29050	0.8
392.07489	0.2
436.30048	0.3
437.05460	0.2
437.10727	0.3
437.19946	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1986
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	1.3
61.98830	100.0
70.14159	1.5
73.25610	0.3
89.02416	0.3
95.53814	0.3
96.96023	0.6
98.25600	0.3
109.38716	0.3
109.43569	0.3
152.03159	0.3
194.51437	0.3
201.77362	0.3
237.89908	0.3
241.92555	0.3
399.10480	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32873	0.5
55.40198	0.5
55.53910	0.5
59.01377	100.0
60.01721	1.0
61.98830	9.4
71.01395	0.6
71.72404	0.7
79.54736	0.4
91.04020	0.5
96.96021	1.8
101.02453	0.6
104.12666	0.6
135.88673	0.5
214.37477	0.5
227.10794	2.4
301.14505	1.8
331.98422	0.6
349.06180	1.1
435.22995	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2239
Annotation	HC-toxin
Peak:m/z	Relative Intensity
55.01868	0.7
57.03445	1.2
58.00585	1.7
59.01379	45.0
60.01713	1.2
61.01791	0.8
61.98830	17.9
62.73819	0.3
69.03462	0.8
69.54050	2.4
69.54462	0.7
71.01383	21.2
71.05026	0.6
72.01745	0.4
72.99313	1.7
73.02960	2.0
75.00905	0.4
79.95761	1.0
80.96507	0.5
81.79211	0.4
83.01383	2.5
83.05038	0.8
85.02960	5.0
87.00882	1.4
89.02454	9.9
92.24053	0.3
93.03481	0.6
94.29718	0.3
95.01395	1.3
95.05061	0.5
96.52864	0.4
96.96021	22.3
97.02971	0.5
98.03726	0.7
99.00887	1.1
99.08174	1.1
101.02451	9.4
108.44308	0.4
109.06619	0.9
111.04575	0.7
111.08170	1.2
113.02464	5.4
115.04037	0.5
118.98109	0.6
119.03520	2.7
120.99698	0.6
127.00415	0.5
127.07605	0.4
129.09254	1.5
131.03497	0.3
137.02518	0.4
137.57594	0.3
139.11324	1.1
140.49432	0.4
143.03587	0.4
154.92717	0.4
155.07094	2.4
155.10793	10.7
155.12073	0.5
156.11183	0.6
161.04594	0.4
165.12865	3.2
179.05627	0.5
183.10353	0.5
183.12473	0.3
183.13980	1.7
189.00389	0.5
191.05702	0.6
193.15948	3.2
199.09863	1.1
199.95663	0.3
201.15089	0.7
211.17079	0.4
219.13835	0.4
231.02995	0.9
237.14984	5.6
255.15997	3.9
256.20358	0.4
273.03131	0.4
273.17038	5.2
274.17514	0.4
300.03067	0.5
301.03403	0.6
302.03546	1.2
303.04199	0.8
331.04999	0.4
349.05966	16.3
350.06363	1.3
372.21564	1.3
391.07025	10.5
392.07489	1.5
417.21350	1.8
435.06152	3.0
435.22488	100.0
436.06125	0.7
436.22836	12.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.0968
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	0.8
58.12766	0.3
59.01375	7.4
61.98837	3.8
63.96214	0.8
69.03478	0.7
70.05700	1.8
71.01379	9.0
71.32858	0.3
72.01719	0.5
72.99316	0.5
73.02958	2.9
78.98598	5.6
79.95744	9.6
80.96522	64.3
81.03465	0.6
83.01388	0.6
83.05028	1.3
85.02956	3.5
87.00878	2.8
88.04028	0.4
89.02448	1.8
90.70587	0.4
91.05537	1.2
94.98100	17.2
96.96022	4.6
97.02953	1.3
99.00900	1.3
99.04541	0.4
101.02450	3.7
105.55978	0.3
106.98107	2.8
113.02477	1.1
120.08030	0.3
122.97611	3.2
125.02470	3.0
127.04049	0.7
131.03540	0.5
132.04602	0.4
134.97617	4.4
135.04539	1.0
136.99136	1.0
148.99164	5.9
149.04559	0.6
150.97075	0.4
152.98636	4.9
161.04649	0.5
164.98636	10.1
167.00134	0.4
181.08710	5.9
191.05653	0.9
199.09764	1.3
206.99644	2.4
213.11189	0.5
225.00743	13.6
226.00984	0.5
253.09271	1.1
268.45645	0.4
299.04449	4.9
317.05505	6.9
349.06165	2.6
391.07132	1.2
435.09689	100.0
436.10007	9.9
441.75528	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
56.10037	0.2
56.13187	0.2
59.01385	1.2
61.98831	3.8
71.71487	0.2
78.95904	0.3
89.02443	0.3
106.01364	0.2
111.00896	0.6
117.03484	0.3
121.02951	0.4
125.40545	0.2
130.04257	1.0
132.02185	0.2
139.49480	0.2
145.02968	0.6
146.03751	1.4
150.29105	0.2
152.99643	0.2
155.22879	0.2
159.08167	0.4
160.01668	9.3
161.02312	0.8
161.89041	0.2
173.02475	0.6
174.03232	16.6
175.03612	0.7
178.02730	0.2
203.07144	100.0
204.07475	6.7
204.09415	0.3
217.05109	0.2
224.74007	0.2
227.03510	0.7
260.20389	0.2
268.08438	0.2
373.22189	0.2
374.24701	0.4
375.24857	1.2
435.14474	10.3
435.30286	0.2
436.14859	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	434.3125
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83065	1.1
61.98831	100.0
63.17997	1.2
67.35743	1.2
70.28677	1.7
70.29071	3.9
73.14077	1.1
101.71553	1.0
110.12108	1.2
166.68005	1.3
236.60286	1.1
315.20224	1.1
330.64911	1.4
365.13586	1.4
371.31674	7.6
452.95026	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.0604
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96964	0.3
59.01380	15.0
66.91003	0.4
69.42381	0.3
70.29087	0.3
70.94597	0.3
70.94971	1.1
71.01382	1.7
73.02959	1.1
75.19115	0.4
76.31507	0.3
79.95746	4.9
80.96516	2.4
83.01424	0.5
85.02960	1.4
95.95244	0.7
96.96024	99.7
99.00891	0.4
101.02455	2.2
103.00382	7.7
113.02449	0.7
115.26163	0.4
122.97635	0.9
125.02407	0.5
138.97102	0.7
150.97092	0.7
151.79181	0.4
152.98705	0.6
164.98662	4.0
180.98138	3.3
204.09163	0.4
205.39557	0.4
241.00298	4.4
318.56635	0.4
331.04837	2.0
349.05994	100.0
350.06357	7.7
351.25223	0.4
391.07047	41.6
392.07376	3.7
417.05014	1.5
435.06003	25.9
436.06491	3.2
442.01486	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.0605
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60329	0.3
59.01380	9.2
60.01729	0.3
61.98814	0.5
69.80174	0.5
69.80593	1.2
71.01381	1.7
73.02950	1.1
79.95741	2.0
80.96523	1.3
83.01387	0.5
85.02951	1.4
87.24773	0.3
88.29190	0.3
95.95251	0.8
96.96019	100.0
97.02965	0.3
99.00879	0.4
101.02432	1.5
103.00378	0.8
104.59827	0.3
112.37028	0.2
113.02444	0.7
138.97069	0.8
155.10809	0.8
164.98683	0.8
183.10252	0.3
214.09480	0.3
241.00285	0.7
301.03204	0.3
331.04974	2.1
349.05975	71.6
350.06299	6.1
391.07025	57.9
392.07388	4.7
417.05051	1.3
435.05969	16.9
436.06436	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.0604
Annotation	Unknow
Peak:m/z	Relative Intensity
58.58124	0.4
59.01382	14.7
71.01392	2.3
71.15558	0.4
71.15870	0.7
73.02949	1.9
74.71735	0.4
76.97031	0.4
79.95749	6.1
80.96525	2.9
83.01405	0.8
84.26537	0.4
85.02960	1.6
95.95268	0.4
96.96022	100.0
101.02438	3.1
103.00388	7.6
108.02209	0.5
113.02451	0.8
122.97602	0.5
143.03604	0.4
150.97113	1.0
152.01161	0.8
152.98616	0.7
164.98637	2.9
180.98126	2.5
189.00436	0.6
222.99333	0.5
241.00212	5.1
244.80225	0.4
269.10178	0.4
324.84537	0.4
331.04993	1.6
348.38571	0.4
349.05991	84.5
350.06308	7.8
391.07034	35.8
392.07364	3.7
417.04926	1.8
435.05933	25.2
436.06360	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	434.1668
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78720	0.2
54.17041	0.2
57.03457	0.5
57.41437	0.2
58.00594	0.3
59.01379	31.5
60.01714	2.4
61.01789	0.5
61.98830	100.0
64.99464	0.2
65.81116	0.2
71.01384	5.4
71.72020	0.3
72.99307	0.5
73.02935	0.9
82.28923	0.2
83.01395	0.6
85.02968	1.1
87.00919	0.4
89.02450	2.7
93.03466	0.2
96.96017	5.3
99.00897	0.3
101.02464	2.1
109.40622	0.2
111.08169	0.3
113.02479	1.4
119.03491	0.8
123.04475	0.3
129.09224	0.3
139.11263	0.3
143.04536	0.2
149.04449	0.2
155.07074	0.4
155.09637	0.3
155.10773	3.4
160.49586	0.2
161.04469	0.3
165.12801	0.5
173.21317	0.2
180.05930	0.2
183.13869	0.2
189.00304	0.3
191.05537	0.3
193.15825	0.6
199.09700	0.3
201.14775	0.2
237.14943	1.2
249.31134	0.2
255.15680	0.7
256.03134	0.2
271.02133	0.2
273.16791	0.8
300.02402	0.4
300.05756	0.2
301.02783	0.6
302.03732	0.4
313.11710	0.3
328.19141	0.2
329.08026	0.2
349.05972	4.2
372.20813	0.3
374.18027	0.3
391.07077	3.2
434.07880	0.4
434.23813	0.4
435.05188	1.0
435.21515	18.4
435.28098	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2015
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89322	0.1
52.75306	0.2
54.02638	0.2
57.03463	0.2
59.01379	15.7
60.01716	1.8
61.01803	0.2
61.98832	100.0
63.99261	0.2
69.31654	2.1
71.01388	2.0
72.01722	0.2
73.02956	0.7
74.03246	0.2
83.01402	0.2
83.87063	0.2
85.02970	0.6
86.03341	0.2
89.02459	0.7
94.88347	0.2
95.73915	0.2
96.95997	0.5
99.00880	0.3
101.02431	1.3
102.02784	0.4
113.02482	0.7
114.02834	0.3
119.03544	0.5
158.63370	0.2
159.03049	0.3
161.04561	1.9
162.04922	0.7
211.13315	0.2
212.13815	0.3
213.11346	0.2
253.14171	0.2
272.15976	0.2
324.29547	0.2
329.63681	0.2
349.05731	0.3
374.18842	1.6
375.19534	0.2
434.21243	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2658
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	24.0
60.01702	1.9
61.98829	15.0
71.57865	2.0
78.95917	4.0
79.70947	1.1
99.37962	1.2
101.06026	1.1
109.56954	1.0
122.01468	1.0
123.21610	1.1
129.48289	1.0
133.59993	1.0
134.04741	8.2
160.01746	4.8
174.03235	8.7
203.07147	41.3
217.04944	1.3
232.10950	3.2
265.51801	1.0
289.17957	1.5
290.18503	2.0
300.99609	1.2
316.16602	1.1
374.24484	100.0
375.24741	12.1
434.13638	2.4
435.03842	1.5
435.14383	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	434.1669
Annotation	Unknow
Peak:m/z	Relative Intensity
56.69889	0.2
57.03463	0.2
59.01377	41.3
60.01711	3.6
61.01807	0.4
61.98829	100.0
63.99261	0.6
71.01382	3.3
71.61306	0.4
72.99316	0.7
73.02959	0.6
73.18375	0.2
78.95932	0.3
83.01400	0.7
85.02949	0.9
87.00899	0.3
89.02449	2.0
95.01392	0.4
95.05016	0.3
96.96017	4.7
99.00914	0.4
101.02463	1.8
107.01410	0.7
113.02477	1.1
119.03545	0.8
119.04996	0.2
120.99728	0.3
121.02990	0.7
123.04529	0.3
127.00361	0.5
148.28218	0.2
151.00412	1.6
152.00743	0.9
155.10818	2.0
158.54314	0.3
161.04590	0.5
163.00391	0.5
164.00835	0.3
178.99939	0.8
180.00264	0.5
189.00362	0.3
197.61514	0.3
228.03778	0.4
237.14986	0.3
243.02972	0.6
244.03296	1.3
255.02917	1.8
255.16113	0.5
256.03296	3.4
271.02481	3.3
272.02786	6.4
273.03329	1.0
273.17072	0.4
284.02881	0.3
300.02734	3.6
301.03180	14.5
302.03848	11.6
303.04080	1.1
313.11676	0.4
315.08615	0.4
349.05972	4.4
362.17001	0.4
374.22708	0.5
375.20230	0.3
391.06995	3.3
434.08090	9.3
434.20663	0.3
435.07047	1.3
435.22745	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	433.2359
Annotation	1-(9Z,12Z-octadecadienoyl)-glycero-3-phosphate
Peak:m/z	Relative Intensity
62.96402	0.2
71.71616	0.2
71.71965	0.2
78.95906	56.3
96.96972	6.2
96.97601	0.4
98.65788	0.2
112.08643	0.2
150.98012	1.7
152.99602	100.0
153.99956	2.0
160.04138	0.2
171.00661	4.9
177.16544	0.2
177.99779	0.2
279.23306	1.2
419.47836	0.2
433.23593	9.4
434.23914	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2592
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03424	0.2
59.01380	1.5
61.16828	0.2
61.98826	1.7
70.14688	0.9
77.90088	0.2
78.95905	0.6
80.53934	0.2
101.02447	0.2
117.03481	16.0
118.03806	0.5
119.05040	24.9
120.05364	1.1
121.02981	1.7
123.04533	0.4
133.02966	0.5
135.08232	0.3
141.12856	0.2
145.02969	100.0
146.03302	4.8
152.99603	0.7
162.03310	0.3
163.04022	19.1
164.04341	1.0
179.07130	0.2
185.41835	0.2
197.08244	0.4
198.59004	0.2
245.04353	0.2
261.11374	0.2
269.21182	1.8
285.20621	0.3
287.22266	8.9
288.22687	0.8
288.56363	0.2
351.62009	0.2
415.24893	0.8
433.25970	40.5
434.26285	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	433.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08342	0.2
59.01374	3.7
61.98828	2.5
62.80489	0.2
71.01389	0.3
71.66519	0.4
78.95905	0.8
89.02416	0.3
90.38995	0.2
91.40514	0.2
117.03475	15.3
118.03784	0.5
119.05038	26.7
120.05368	1.1
121.02995	1.6
123.04509	0.6
133.02954	0.5
145.02965	100.0
146.03287	4.8
152.99600	0.8
162.03340	0.2
163.04022	18.0
164.04362	0.7
189.00357	0.3
248.26466	0.2
262.74509	0.2
269.21259	1.6
275.62396	0.2
287.22256	8.4
288.22556	0.7
299.99252	0.5
300.99890	0.3
335.03308	0.3
410.75024	0.2
415.24933	0.9
433.25961	43.3
434.26254	6.5
441.21921	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.0939
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	3.2
57.35593	1.4
59.01375	19.3
61.98532	2.5
61.98832	33.1
63.40010	1.2
70.76691	2.8
70.77049	3.9
71.01377	5.4
72.99316	2.4
75.00826	1.4
81.03461	9.3
83.01408	2.3
83.05043	3.0
85.02950	2.0
88.98794	1.6
89.02439	2.9
93.03455	1.3
95.05023	5.4
96.74409	1.3
96.96027	3.5
96.96954	2.2
97.02924	2.6
99.04524	6.9
99.92608	2.3
100.04872	1.3
101.02463	1.6
113.02454	2.0
115.92102	1.6
116.92848	2.6
117.92861	1.9
123.04495	4.4
125.02468	35.2
127.07690	2.5
135.04533	4.6
135.08218	1.7
137.02458	7.5
139.04039	4.0
151.04059	1.8
161.02541	3.4
162.02811	2.7
167.03506	100.0
168.03856	5.2
179.03419	4.7
181.08673	10.5
191.05641	5.4
197.04547	25.0
209.04543	2.5
251.05603	37.3
252.05946	1.7
253.09363	2.1
281.06732	8.0
287.07782	3.8
289.21057	1.5
333.11942	1.7
368.45844	1.6
371.09842	50.1
372.10175	3.5
375.07083	7.0
416.03662	2.4
434.04941	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	434.1671
Annotation	Unknow
Peak:m/z	Relative Intensity
55.26917	0.3
57.03456	0.4
59.01379	11.1
59.40715	0.3
60.01727	0.5
61.98830	100.0
69.72044	1.4
71.01398	1.1
72.98161	0.3
73.02953	0.8
78.95904	0.4
85.02969	1.0
87.04548	0.5
87.52577	0.3
88.16936	0.3
89.02444	0.4
93.03477	0.3
96.96040	0.8
96.96973	0.3
98.19958	0.4
101.02466	1.0
103.04018	0.6
111.33048	0.3
113.02476	0.5
117.67865	0.3
161.04581	0.4
179.65443	0.3
192.88640	0.3
213.15089	0.8
244.79039	0.3
340.40234	0.3
341.06735	0.8
356.50497	0.3
434.25076	1.3
435.26025	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2361
Annotation	Unknow
Peak:m/z	Relative Intensity
58.69417	0.1
59.01375	0.2
59.63837	0.1
59.64903	0.2
59.89772	0.2
62.76646	0.2
62.96414	0.2
71.73117	0.2
78.95910	70.5
89.08380	0.1
96.96974	5.5
98.19924	0.5
131.18555	0.2
150.98058	1.7
152.99611	100.0
153.99963	1.7
156.44838	0.2
171.00659	3.0
229.35132	0.2
279.23260	2.0
308.56854	0.2
347.22833	0.2
433.23608	15.9
434.23984	2.3
458.51306	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	0.4
57.03448	0.5
59.01379	100.0
60.01709	1.2
61.98835	2.7
68.99572	3.6
69.43077	2.4
70.74971	0.2
71.01385	5.4
72.99321	0.4
73.02946	1.5
76.66843	0.2
79.95736	0.5
83.01407	0.8
85.02957	2.3
87.00916	0.4
89.02453	2.5
95.01385	0.3
96.96023	9.3
99.00900	0.6
101.02449	3.3
102.02734	0.3
112.98583	4.4
113.02467	2.2
119.03516	0.6
127.00340	0.3
131.03516	0.2
149.04604	0.5
152.99638	0.3
161.04568	3.3
179.05684	0.3
187.17798	0.2
191.05664	0.2
212.02776	0.2
227.16498	2.6
271.15451	0.3
299.99103	0.4
334.55933	0.2
373.18652	2.6
374.19235	0.3
433.15515	9.0
433.24655	4.9
434.15753	0.9
434.25195	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
54.47863	0.3
55.01870	0.6
57.03437	1.2
59.01377	100.0
60.01713	1.9
61.01805	0.7
61.98830	35.7
69.64697	2.3
70.05908	0.2
71.01385	14.5
71.05024	0.3
72.01716	0.4
72.99306	0.6
73.02950	3.9
75.00883	0.3
77.27817	0.2
83.01394	1.9
85.02959	5.7
87.00889	0.8
89.02445	8.0
95.01378	1.1
97.02971	0.3
99.00869	1.4
101.01803	0.5
101.02453	10.8
101.43224	0.3
113.02461	7.4
119.03525	3.2
119.05053	0.4
129.02036	0.3
131.03496	0.3
133.83588	0.3
135.08150	0.8
143.03513	1.5
143.04469	0.3
149.04500	0.3
151.00269	0.5
159.03001	1.6
161.04567	14.6
162.04810	0.5
167.10559	0.3
179.05553	1.0
193.12404	0.6
205.03450	0.6
209.15340	0.3
211.13300	0.7
271.05823	0.9
271.15308	0.4
373.18527	13.6
374.15332	0.2
374.18848	2.3
389.17642	0.4
391.22931	0.4
417.16974	0.6
433.20264	2.3
434.20258	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
53.64388	0.3
57.03447	0.7
59.01377	100.0
60.01715	1.2
61.01799	0.5
61.98830	4.2
63.02389	0.4
65.00327	1.6
70.44074	0.4
70.44407	1.4
71.01383	5.6
72.99309	0.8
73.02951	1.5
80.26157	0.3
81.03440	0.3
83.01389	1.7
85.02975	1.5
89.02446	3.8
93.03448	2.3
95.01406	0.6
96.96046	0.5
98.20578	0.4
99.00895	0.9
101.02439	5.2
101.44761	0.3
107.01405	3.1
108.02219	0.5
113.02455	2.5
119.03596	1.7
119.05039	9.5
123.72121	0.3
125.02519	0.5
126.99605	0.8
127.00426	0.4
143.03572	0.5
151.00389	10.5
152.00771	0.7
161.04620	0.5
164.01114	0.3
165.01997	0.6
169.01492	0.7
175.23843	0.3
177.01974	1.6
178.72714	0.4
179.05670	0.4
191.05713	0.8
193.12354	3.0
197.11870	1.3
209.11839	0.4
209.56590	0.4
211.13387	0.5
227.07118	0.5
253.09358	0.5
269.13867	0.7
271.06100	26.1
272.06424	2.1
279.71240	0.3
299.99307	0.5
301.00043	0.4
313.07132	0.6
363.39246	0.4
373.18655	26.8
374.19144	2.9
380.61682	0.4
389.18146	0.6
391.23572	1.2
433.11258	0.7
433.20374	3.5
434.11099	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.1146
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	12.3
59.01376	7.4
60.96888	0.4
60.99275	0.6
61.98832	100.0
71.01385	5.6
71.30215	0.9
73.02955	2.0
78.95923	0.6
83.01406	1.1
83.02538	0.8
85.02969	1.8
87.00896	0.7
88.98793	2.8
89.02464	3.4
96.00926	0.9
96.96021	1.6
96.96997	1.4
98.02503	0.7
98.20592	0.6
99.00909	1.7
101.02467	3.6
113.02469	2.6
115.00394	1.1
115.08763	2.3
119.03564	0.5
119.05067	1.2
125.02481	1.9
127.00438	0.9
130.08736	2.3
131.03555	0.4
131.04578	0.5
131.09103	0.5
138.09250	0.8
149.04626	0.7
159.03006	0.4
161.04581	11.0
163.07669	30.1
164.08023	2.5
164.10858	0.6
173.08229	0.8
175.02518	1.9
189.00528	0.8
189.05530	0.6
197.08224	0.6
211.03920	0.5
224.11307	0.7
267.09830	2.4
268.10339	2.4
270.15063	0.6
297.10922	1.3
298.11230	1.7
325.12878	3.4
335.13461	0.7
369.12085	4.3
383.19458	0.9
384.19229	1.0
413.20279	0.6
414.20844	4.8
432.16013	1.5
432.21744	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.0778
Annotation	Quercetin-3-Arabinoside
Peak:m/z	Relative Intensity
57.03450	0.3
59.01378	100.0
60.01716	1.1
61.98832	6.8
63.02409	0.8
65.00327	1.2
70.41084	0.7
70.41476	0.5
71.01390	3.9
72.99309	0.4
73.02962	0.5
74.31259	0.3
83.01382	1.2
85.02953	1.7
87.00885	0.4
89.02447	4.1
91.01870	0.3
94.37805	0.2
95.01384	0.5
101.02466	2.5
107.01406	3.0
108.02194	1.1
109.02965	2.2
110.24934	0.2
113.02467	1.6
119.03479	1.3
119.49059	0.3
120.01308	0.3
121.02969	2.3
124.01675	0.3
125.02499	0.4
130.37042	0.3
131.03561	0.3
135.00937	0.6
138.82521	0.2
143.03494	0.4
143.04993	0.3
148.01700	1.1
149.02490	0.5
151.00383	11.5
152.00887	0.4
159.04543	0.5
161.04585	1.6
163.00406	2.9
164.01100	0.8
169.01451	0.9
173.06088	0.4
178.99873	6.3
179.05624	1.1
183.04596	0.6
185.02463	0.4
187.04002	0.6
199.04012	0.9
201.02019	0.4
201.05594	0.7
203.03572	0.4
211.04002	1.5
212.04556	0.2
215.03485	0.7
216.04324	0.5
226.02657	1.2
227.03514	3.0
228.04109	0.3
229.01353	0.3
229.05080	0.8
239.03503	0.4
243.02991	7.9
244.03433	0.9
245.04547	2.2
253.04890	0.3
254.02216	1.5
255.00150	0.5
255.02980	22.0
256.03317	2.0
271.02463	43.3
272.02869	4.1
273.04071	0.9
283.02518	1.9
299.02087	1.2
300.02759	66.7
301.03494	70.1
302.03888	5.4
373.18314	0.5
373.22321	0.6
433.07758	39.3
434.08096	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	431.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25700	0.2
54.73019	0.2
57.03443	0.6
59.01378	100.0
60.01721	1.3
60.99321	0.5
61.01807	0.3
61.98831	17.5
69.40108	0.7
69.40530	1.5
71.01378	4.1
72.99323	0.4
73.02946	1.2
83.01398	0.8
85.02962	1.7
87.00899	0.7
88.98813	3.8
89.02454	4.5
89.50626	0.2
93.03477	0.6
95.01417	0.3
96.95997	0.2
99.00949	0.3
101.02457	2.8
113.02454	2.0
119.03535	1.9
131.03484	0.4
143.03593	0.5
152.35767	0.3
161.04568	1.1
165.12878	0.4
172.59824	0.2
179.05643	1.7
183.10318	0.5
191.05640	4.9
191.10776	0.6
207.13892	1.2
209.11890	0.9
213.09221	0.5
223.13483	0.4
224.13831	0.3
225.14894	0.2
243.12311	0.3
257.08157	1.6
267.12341	0.4
269.13922	1.3
285.13208	0.2
327.14832	0.2
371.17047	5.5
372.17554	0.6
376.87589	0.2
387.16757	0.5
401.37164	0.2
431.13730	0.7
431.18805	3.0
432.19513	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.244
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	0.5
61.98830	0.3
70.59296	0.5
72.08258	0.2
73.13205	0.1
74.20677	0.2
75.49612	0.2
78.95938	0.2
84.51314	0.2
89.03969	0.2
93.03429	0.2
95.55054	0.2
98.19940	0.3
103.64812	0.2
111.00897	0.2
117.03481	16.2
118.03774	0.3
119.05042	26.0
120.05362	0.8
121.02978	1.4
123.04546	0.6
133.03041	0.4
145.02969	100.0
146.03313	5.2
146.04192	0.1
152.99593	0.3
163.04027	20.2
163.22868	0.2
164.04352	0.9
256.19354	0.2
267.19635	1.9
277.12308	0.2
285.20703	8.1
286.21008	0.7
360.39529	0.2
413.23221	0.5
431.24380	34.1
432.24713	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	431.244
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.7
60.30225	0.2
61.98831	0.7
66.22482	0.2
70.89639	0.6
78.95892	0.2
93.03478	0.3
115.00361	0.3
117.03478	15.2
118.03735	0.4
119.05041	26.1
120.05392	1.0
121.02958	1.6
123.04549	0.4
127.29916	0.2
133.03008	0.3
145.02968	100.0
146.03308	4.3
152.99638	0.5
154.08971	0.2
162.03169	0.3
163.04024	18.9
164.04366	0.6
203.07172	0.2
218.41982	0.2
267.19620	1.8
285.20709	7.5
286.21060	0.7
413.23300	0.5
431.24377	34.6
432.19333	0.4
432.24789	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	431.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02402	0.2
55.01880	0.7
57.03459	0.8
57.75299	0.2
58.00594	0.8
59.01377	100.0
60.01708	1.3
60.99308	0.6
61.98823	0.6
69.03464	1.3
71.01382	33.7
71.05040	0.2
71.69859	0.3
72.01722	0.5
72.99312	1.5
73.02948	34.1
74.03265	0.5
75.00871	0.8
78.95947	0.2
81.03480	0.5
83.01394	11.2
85.02958	5.1
85.06614	0.3
87.00888	1.8
87.05093	0.2
88.10332	0.3
88.98813	3.6
89.02450	9.1
95.01390	1.8
96.96023	1.1
97.02957	0.7
98.95580	0.4
99.00900	1.0
99.04534	0.5
101.02451	32.7
102.02802	0.6
111.00892	0.3
111.08159	1.8
113.02463	14.4
114.02811	0.3
117.01971	0.3
119.03513	4.1
122.25938	0.2
125.02454	1.6
125.09691	0.4
128.84013	0.2
131.03520	2.7
137.09650	0.2
141.85400	0.2
143.03517	3.6
145.06308	0.4
147.11797	1.9
149.04576	3.7
150.03207	0.3
153.09229	10.7
154.09549	0.5
155.03508	1.0
155.10771	0.4
161.04568	8.7
162.04877	0.3
165.12825	0.3
179.05659	1.3
181.12386	0.5
182.12590	0.2
183.13889	0.7
191.05638	0.3
191.10783	1.3
191.14395	0.8
203.05577	0.5
209.11787	0.9
209.15466	9.2
210.15810	0.7
221.06604	1.0
225.11282	0.8
226.11661	0.7
227.16516	1.5
285.03830	0.3
290.35236	0.3
291.89313	0.2
306.23807	0.2
327.28256	0.2
343.10666	0.2
345.10516	0.7
345.19104	2.0
346.19086	0.3
371.16544	0.3
371.20755	4.4
372.21149	0.5
387.11447	0.3
387.15988	0.4
389.17484	0.3
389.21863	3.0
431.09811	0.5
431.18185	4.9
431.23355	1.2
432.18979	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26367	0.6
57.03452	3.3
59.01377	57.2
60.01701	0.8
61.98840	3.5
71.01389	3.4
73.02943	1.3
80.97054	0.5
83.05032	1.7
85.02962	1.6
87.00883	7.3
88.98820	5.0
89.02436	1.4
93.03446	0.5
95.05017	0.8
97.02946	0.5
97.06600	1.2
99.00904	1.2
99.04515	1.3
101.02452	2.2
101.16152	0.4
109.06593	1.3
113.02391	1.0
117.01977	0.9
121.06599	1.0
125.02493	1.0
145.09792	0.5
161.04562	5.3
163.14903	0.6
165.12848	16.5
166.13196	1.1
179.05621	6.8
181.12331	1.9
189.12868	1.4
191.05591	1.7
191.10803	1.5
207.13905	10.4
208.14294	0.7
209.11824	24.1
210.12154	2.2
225.14983	4.5
230.74907	0.6
251.12840	7.6
252.13232	0.7
269.13916	45.9
270.01596	1.0
270.14288	3.6
371.20984	0.8
413.18210	1.7
431.19189	100.0
432.19525	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	431.2202
Annotation	PA(18:3(9Z,12Z,15Z)/0:0)
Peak:m/z	Relative Intensity
57.34756	0.2
59.01372	0.2
60.53405	0.2
61.98824	0.3
62.96408	0.3
63.87326	0.2
65.68935	0.2
66.65286	0.2
69.91569	1.0
78.95908	49.5
84.31226	0.2
96.29381	0.2
96.96974	6.4
98.41316	0.2
150.98044	1.9
152.00711	0.2
152.99603	100.0
153.99928	1.7
154.19518	0.2
169.30014	0.2
171.00664	4.3
261.78787	0.2
277.21823	0.7
431.22021	8.1
432.22598	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.4
57.03456	0.8
58.00592	0.5
59.01378	100.0
60.01705	1.2
60.99310	0.8
61.98825	2.2
68.46046	0.2
69.03488	0.4
69.56442	1.6
71.01385	11.6
72.01742	0.2
72.99310	0.7
73.02946	2.9
75.00873	0.2
83.01384	1.2
83.05037	0.3
85.02957	3.2
86.13879	0.2
87.00892	1.0
88.98811	5.6
89.02453	10.0
95.01408	0.8
96.96054	0.3
97.02979	0.2
97.06605	0.2
99.00890	1.1
99.04533	0.4
101.02447	7.7
109.06601	0.3
111.33665	0.2
113.02457	4.9
114.02809	0.3
116.71920	0.2
119.03520	3.4
120.99752	0.2
121.06646	0.6
125.02461	0.2
127.00484	0.4
131.03563	0.5
143.03522	1.2
149.04610	0.2
159.03064	0.6
161.04559	5.4
165.12895	0.7
165.63573	0.2
179.05635	2.4
191.10855	0.6
195.10318	1.5
197.61769	0.2
207.13945	1.4
209.11836	2.6
209.15509	0.5
227.03484	1.6
251.12837	1.2
253.09346	0.4
255.02991	1.6
256.03717	0.3
269.13928	7.6
270.14359	0.5
284.03229	1.5
285.03970	0.9
287.14951	0.3
289.43549	0.2
311.15125	0.3
341.11380	0.2
344.19815	0.3
371.20779	10.6
372.21280	1.1
389.21970	1.3
431.09946	1.9
431.19354	1.1
431.23776	0.4
432.10074	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58655	0.7
57.03437	3.0
58.56863	0.7
59.01377	68.1
60.01714	1.2
61.98836	7.3
65.56787	0.8
66.24191	0.7
69.03463	1.1
69.47929	4.9
71.01407	4.4
71.01717	0.8
73.02938	2.0
83.01356	1.3
83.05009	1.1
85.02956	3.2
87.00884	13.3
88.98779	0.9
89.02426	1.2
97.02954	1.1
97.06631	0.8
99.00872	3.4
99.04525	4.4
100.69138	0.7
101.02441	2.5
109.06591	3.0
113.02506	0.7
117.01956	2.4
118.24725	0.7
121.06602	2.6
125.02456	1.8
137.09663	0.7
141.01964	1.5
161.04558	10.7
165.12840	5.2
179.05641	17.5
189.12888	2.5
191.10724	1.7
207.13913	39.2
208.14233	2.6
209.11844	17.8
210.12221	1.4
218.41077	0.7
225.14946	2.6
251.12901	10.1
269.13916	36.8
270.14243	2.5
305.58746	0.7
341.11926	0.7
371.17126	3.4
413.17966	1.8
431.19223	100.0
432.19568	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	431.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.5
57.03434	0.3
58.00589	0.5
59.01377	100.0
60.01709	1.2
60.99287	0.3
61.98826	0.8
64.44749	0.2
65.49833	0.2
69.91549	0.4
69.91959	1.0
71.01382	13.5
72.99308	0.7
73.02949	2.0
83.01392	0.6
85.02951	3.4
87.00873	2.1
88.46815	0.2
88.98822	2.0
89.02451	12.6
89.21903	0.3
95.01413	0.9
95.05039	1.2
96.96059	0.4
98.20581	0.4
98.95609	0.4
99.00902	0.6
101.02449	7.0
102.02801	0.3
110.77345	0.2
113.02460	5.8
119.03507	4.5
121.03011	0.4
123.04475	0.3
125.02541	0.3
131.03510	0.8
143.03500	1.3
145.72060	0.2
149.04541	0.3
159.03073	0.5
161.04570	6.5
162.04944	0.4
165.12859	3.6
166.13260	0.4
179.05626	2.1
180.06102	0.2
180.21034	0.2
191.10786	1.2
209.11832	5.9
210.12207	0.3
227.16553	0.3
251.13110	0.3
275.88470	0.2
302.92667	0.2
343.97458	0.2
345.10437	0.3
371.20877	0.4
389.21951	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20406	0.2
54.00904	0.2
55.01873	1.1
57.03441	1.1
58.00608	1.2
59.01377	100.0
60.01721	1.1
60.99300	1.1
61.98826	1.3
69.03456	1.0
70.56315	0.2
71.01383	36.5
71.04750	0.5
72.01728	0.5
72.99302	1.8
73.02948	28.3
74.03286	0.5
75.00871	0.8
81.03464	0.6
83.01386	10.3
83.05005	0.3
85.02953	8.5
85.06615	0.2
86.00107	0.5
87.00885	3.6
88.98813	5.7
89.02447	9.5
91.05556	0.3
95.00859	0.3
95.01397	1.7
96.95992	1.1
97.02970	0.8
98.95592	0.6
99.00887	2.4
99.04516	0.4
101.02451	28.5
102.02811	0.7
111.00903	0.3
113.02460	10.3
114.02775	0.3
119.03524	3.4
125.02428	1.7
127.00451	0.3
128.08418	0.4
129.01970	0.4
131.03519	1.9
143.03505	2.2
147.11810	12.9
148.12135	0.7
149.04576	1.3
155.03485	0.5
159.02985	0.9
161.04576	9.1
165.12868	1.2
179.05615	0.6
181.08691	0.3
183.12389	0.4
183.13913	4.7
184.14323	0.3
191.10786	8.3
192.10985	0.4
203.05652	0.7
209.11789	3.8
210.12106	0.3
221.75949	0.3
227.12762	0.4
255.15907	1.0
269.13901	0.4
284.03333	0.3
285.03979	0.7
327.18079	2.0
341.11319	0.3
345.19174	18.6
346.19510	2.6
387.11807	0.5
387.20322	1.1
413.18445	0.3
431.19159	34.2
432.14236	0.3
432.19559	4.1
432.24872	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62632	0.4
57.03439	1.0
58.00589	0.9
59.01377	100.0
60.01720	0.7
60.99312	0.9
61.98829	4.8
69.03446	0.4
71.01384	15.0
71.40877	0.9
71.45174	0.4
72.15794	0.4
72.99319	0.9
73.02945	2.5
79.93787	0.4
83.01384	1.9
85.02947	3.0
86.72579	0.4
87.00921	0.6
88.98812	4.6
89.02449	15.1
95.01421	0.7
96.96039	1.1
99.00922	0.7
99.04512	2.9
101.02448	8.7
109.06601	0.9
113.02460	5.8
116.13235	0.3
119.03510	6.0
121.06669	1.2
131.03520	0.9
143.03558	1.4
161.04572	3.5
163.11281	0.5
165.12862	2.3
166.13210	0.5
179.05605	4.1
189.12878	0.5
191.10841	1.3
207.13896	4.2
209.11829	9.4
210.12131	0.8
225.15019	1.3
227.03580	2.2
251.12914	3.4
255.02934	2.7
256.03653	0.4
269.13910	47.7
270.14227	4.0
274.87671	0.5
275.12869	0.7
284.03354	1.8
285.04150	0.6
293.14075	0.4
311.15106	1.3
371.16623	0.6
371.20782	4.9
372.21234	0.6
389.21848	0.6
431.09906	2.8
431.18613	2.8
432.09949	0.4
432.19739	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1686
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36399	0.2
55.31815	0.2
59.01372	0.7
60.99309	0.3
61.98821	0.8
64.62442	0.3
69.74384	0.7
69.74794	0.8
72.00909	10.2
76.51932	0.3
88.98805	3.4
89.02444	0.3
91.05544	0.6
108.22883	0.2
126.27852	0.2
128.03607	0.4
129.76198	0.3
134.04738	2.4
147.04533	32.4
148.04886	2.1
148.71259	0.3
153.03584	0.2
163.07651	0.3
164.07179	100.0
165.07524	5.6
165.08937	0.4
218.65262	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.6
57.03442	1.5
59.01377	100.0
60.01712	1.3
61.98833	1.4
69.03452	0.5
69.70949	1.4
69.71368	0.5
71.01385	6.8
72.01720	0.3
72.99327	0.3
73.02950	2.6
83.01399	1.1
83.05053	0.4
85.02957	3.9
87.00880	2.0
88.98826	1.4
89.02457	2.4
95.01397	0.7
97.06579	0.3
98.20611	0.5
99.00884	1.0
99.04529	1.4
101.02450	6.2
109.06580	0.5
111.04493	0.2
113.02452	3.2
115.96140	0.2
117.01937	0.3
119.03503	0.9
121.06584	0.4
125.02455	0.6
143.03484	0.5
148.18649	0.2
149.09731	0.3
159.03043	0.6
161.04568	10.8
162.04922	0.3
165.12854	6.1
166.13168	0.5
177.09232	0.5
179.05635	3.4
189.12822	0.8
195.10289	1.8
207.12012	0.4
207.13881	5.2
208.14188	0.3
209.11824	15.1
209.15108	0.4
210.12195	1.3
221.06662	4.0
225.14944	0.8
232.62187	0.2
233.11845	0.4
251.12888	3.8
255.02077	0.3
269.13922	14.3
270.14209	0.8
293.13831	0.3
323.93262	0.3
326.85504	0.2
371.20734	14.9
372.21027	1.5
395.55569	0.2
413.18085	3.9
414.18701	0.3
431.19089	15.3
432.19446	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	431.1042
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	0.8
60.99306	12.2
61.98829	0.4
66.35005	0.3
71.01378	1.0
71.67406	0.2
71.67795	0.5
76.39162	0.2
87.00928	0.4
88.98814	100.0
89.02448	5.5
89.02952	0.4
89.99133	1.1
93.68472	0.2
96.96015	0.5
101.02488	0.4
115.00387	0.6
120.99676	0.4
127.00394	0.3
157.60950	0.2
179.05576	0.4
189.00510	0.4
341.10794	2.2
342.11258	0.4
389.06445	0.3
433.15256	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1193
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38116	0.5
54.18028	0.6
55.01874	0.7
57.03447	79.5
58.03800	1.8
59.01377	20.9
60.99297	1.5
61.72148	0.6
61.98827	2.2
69.03469	2.6
70.05015	1.3
70.05418	3.3
71.01382	7.6
73.02959	2.3
74.02533	0.6
80.33967	0.7
81.03465	1.1
83.01418	0.9
83.03359	0.6
85.02966	2.3
88.98803	5.7
89.02459	1.8
95.01412	1.2
96.00902	1.0
96.96039	3.1
97.02956	16.6
97.03590	1.0
97.67564	0.5
99.00913	0.6
99.04525	50.1
100.04858	1.3
101.02450	16.8
113.02460	1.9
116.07183	1.2
125.02458	100.0
126.02808	3.2
138.01953	2.9
143.03516	1.7
148.76445	0.6
160.11952	0.6
161.04549	6.0
177.01900	1.4
186.12616	0.7
191.05646	0.9
203.05608	1.8
227.12914	0.6
243.08720	1.0
268.91245	1.7
287.07910	0.9
293.08752	1.2
329.08810	1.3
340.07126	0.6
345.08502	1.0
387.09531	1.3
387.22406	0.9
431.12488	2.3
431.23245	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1558
Annotation	Osmanthuside H
Peak:m/z	Relative Intensity
52.99037	0.6
55.01892	0.7
57.03453	5.3
58.00585	2.4
58.02952	0.8
59.01376	86.3
60.01700	1.3
60.99292	2.5
61.98829	19.7
69.03464	1.0
69.76726	5.5
71.01381	42.7
72.01698	0.7
72.99305	2.6
73.02947	12.7
74.02505	0.7
83.01390	1.4
85.02956	4.8
87.00895	1.5
88.04116	0.7
88.98808	16.0
89.02448	60.1
90.02786	1.3
93.03494	0.9
94.43625	0.6
94.84843	0.6
95.01405	0.9
96.96018	2.4
97.02950	1.7
97.48280	0.6
98.02457	1.0
98.20693	0.7
99.00889	22.5
99.04525	3.1
101.02451	25.5
101.03117	1.5
105.01888	0.9
113.02445	9.0
115.08765	1.1
119.03542	7.0
119.05025	15.9
125.02441	8.8
125.07182	0.9
127.05144	2.3
128.03531	1.5
130.08727	2.4
131.03506	8.1
137.06071	1.4
138.09254	1.0
143.03513	0.8
145.06200	4.0
149.04568	20.5
150.04935	0.6
161.04584	2.9
165.01933	2.1
169.09808	0.8
175.02402	1.0
179.03447	0.7
179.05612	1.7
179.38493	0.7
187.07210	1.8
191.05634	7.8
192.06020	0.9
209.04567	10.1
209.08258	3.4
267.09802	3.2
267.18335	0.8
297.10950	1.3
299.11310	6.3
345.08597	1.5
354.34940	0.8
383.19006	1.2
387.09363	0.8
413.20450	2.5
431.15549	100.0
431.20453	6.5
432.15906	12.0
432.21249	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2498
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00592	2.9
58.23684	2.7
59.01377	100.0
61.98834	21.3
70.01640	9.9
70.02057	4.8
71.01385	67.6
72.99305	8.6
85.02953	7.7
89.02451	93.2
91.37520	3.0
98.20707	3.7
101.02473	14.0
113.02465	17.7
117.01971	5.6
119.03496	12.8
131.03539	3.7
142.99872	13.6
143.03534	4.4
149.04607	4.9
161.04568	6.3
179.05638	23.2
203.13342	2.8
221.08223	4.1
224.53235	2.6
235.20599	3.0
249.18584	49.4
250.19011	5.6
293.21170	4.1
323.48181	2.7
429.26343	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	429.2859
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	0.3
57.19059	0.2
59.01377	100.0
60.01713	1.1
61.98837	0.9
69.40456	2.8
74.13448	0.2
78.95904	1.4
80.13550	0.2
89.02460	0.5
91.04018	2.2
121.51040	0.2
145.02917	0.3
151.37802	0.3
152.99632	3.0
181.44676	0.3
195.13983	0.8
203.07059	0.3
231.99492	0.3
277.21875	0.8
291.05731	0.3
295.22772	12.2
296.23245	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2858
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.01705	1.6
61.98833	1.2
70.30978	0.2
70.92052	0.3
78.95916	3.3
89.02464	0.4
90.60627	0.3
91.04011	2.0
96.97009	0.3
152.99606	6.7
195.13916	1.1
229.56963	0.4
277.21808	0.8
295.22775	10.6
296.23264	1.2
429.20767	0.5
429.26465	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.1566
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	1.6
59.01378	15.1
60.01717	0.2
60.99307	0.3
61.98828	100.0
63.14051	0.2
69.77941	1.6
71.01395	0.8
71.38157	0.2
73.02952	0.3
73.04088	0.2
74.02491	0.4
75.00906	0.2
78.95910	0.3
87.00859	0.3
88.04010	0.3
88.98820	2.1
89.02462	0.6
96.96040	0.7
96.97012	0.2
97.02953	0.2
98.20651	0.2
99.04537	1.0
101.02470	0.8
104.03568	0.6
105.01957	0.9
113.02473	0.2
115.00383	0.4
119.05047	0.4
124.01389	0.2
125.02437	1.6
129.10345	0.2
132.74146	0.2
136.04054	0.3
145.06194	0.3
161.04616	0.3
163.04025	0.3
165.01974	0.8
172.10963	0.6
178.05183	0.3
179.03525	0.5
187.10770	0.3
191.05666	0.5
192.04251	0.2
193.05006	0.4
194.05832	0.9
207.06630	1.2
208.07008	1.6
209.04585	3.0
209.08206	1.4
228.17093	0.3
335.10541	0.2
345.08713	0.4
368.17090	0.3
370.17047	0.2
387.09705	0.2
387.22449	0.2
400.22055	0.3
430.14407	0.5
430.22919	1.5
431.20505	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.213
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25243	0.3
57.03448	1.5
58.00594	1.0
59.01377	100.0
60.01721	1.1
61.98830	1.5
69.22495	0.3
69.58474	0.6
69.58881	2.3
71.01384	16.6
71.05010	0.6
71.75096	0.4
72.99309	1.0
73.02952	1.5
76.47804	0.3
78.03223	0.3
81.03480	0.4
83.01404	1.5
83.05038	0.5
85.02954	3.0
87.00874	3.3
87.01808	0.3
89.02450	24.9
90.02783	0.5
95.01408	1.0
96.96037	1.0
97.06622	1.5
98.95591	0.5
99.00910	0.5
101.02444	9.6
105.03445	1.8
107.05042	3.3
113.02466	7.4
113.03273	0.4
119.03516	9.3
120.03924	0.3
120.05830	0.8
121.06628	0.6
123.04547	0.5
129.33208	0.3
131.03534	1.4
135.04549	0.7
143.03493	2.2
149.02480	2.8
149.04588	0.9
150.02855	0.4
161.04579	2.6
161.09778	3.5
161.13423	1.7
163.11345	1.0
167.03510	1.8
168.03874	0.3
179.05630	6.2
187.11305	5.6
189.09294	1.5
189.12912	0.5
193.72656	0.3
203.10818	0.7
205.12263	2.6
207.10254	1.6
223.13390	21.9
223.62538	0.4
224.13789	1.1
229.12280	0.4
234.53128	0.3
249.11313	2.5
252.05078	0.4
267.07568	1.5
267.12360	23.5
268.12729	1.5
309.13568	0.4
369.15500	0.5
371.38040	0.3
385.10226	0.5
387.20563	0.4
394.20230	0.4
429.17688	4.2
430.18097	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.213
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.6
58.00594	0.5
59.01379	100.0
60.01720	1.2
61.98837	0.4
69.60693	1.5
71.01385	13.2
71.05016	0.2
72.99316	0.8
73.02959	0.8
83.01409	0.5
85.02953	2.2
87.00870	0.9
89.02455	16.0
90.02792	0.3
95.01412	0.8
96.96039	0.4
98.95567	0.2
99.00950	0.3
101.02454	6.2
101.03124	0.3
113.02463	5.3
114.02789	0.3
119.03522	6.8
119.04362	0.4
120.03848	0.2
121.06634	0.3
125.02487	0.3
131.03569	0.7
137.09740	2.1
137.10582	0.2
143.03534	1.6
149.04620	0.6
154.16518	0.2
161.04591	2.7
161.09747	0.2
163.11266	0.3
179.05623	5.8
180.05998	0.2
205.12343	0.3
207.10345	0.7
223.13472	0.9
225.14990	2.3
267.12350	1.8
289.94083	0.2
337.19781	0.2
343.09198	0.3
360.16232	0.2
369.19284	0.3
437.52121	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.213
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.7
56.92467	0.2
57.03436	1.1
58.00597	0.7
59.01378	100.0
60.01715	1.1
69.03474	0.2
71.01383	12.7
71.17184	0.5
72.00893	0.1
72.01687	0.3
72.99319	0.5
73.02954	3.5
79.15324	0.2
83.01389	1.6
85.02959	5.1
87.00891	0.9
89.02454	7.6
89.03017	0.4
95.01395	1.4
97.02985	0.4
99.00871	0.8
101.02454	7.7
102.02763	0.2
113.02463	8.9
119.03516	3.1
123.08217	0.4
125.02464	0.5
131.03502	0.3
143.03513	1.1
144.20911	0.2
159.03021	0.3
161.04561	2.4
161.47842	0.2
179.05666	1.1
189.12924	0.5
195.13919	1.4
207.14034	0.4
225.14932	2.2
248.04849	0.2
359.01791	0.2
369.19174	8.0
370.19598	0.9
387.20236	9.8
388.20465	1.1
429.21692	0.8
442.61597	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.213
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25243	0.3
57.03448	1.5
58.00594	1.0
59.01377	100.0
60.01721	1.1
61.98830	1.5
69.22495	0.3
69.58474	0.6
69.58881	2.3
71.01384	16.6
71.05010	0.6
71.75096	0.4
72.99309	1.0
73.02952	1.5
76.47804	0.3
78.03223	0.3
81.03480	0.4
83.01404	1.5
83.05038	0.5
85.02954	3.0
87.00874	3.3
87.01808	0.3
89.02450	24.9
90.02783	0.5
95.01408	1.0
96.96037	1.0
97.06622	1.5
98.95591	0.5
99.00910	0.5
101.02444	9.6
105.03445	1.8
107.05042	3.3
113.02466	7.4
113.03273	0.4
119.03516	9.3
120.03924	0.3
120.05830	0.8
121.06628	0.6
123.04547	0.5
129.33208	0.3
131.03534	1.4
135.04549	0.7
143.03493	2.2
149.02480	2.8
149.04588	0.9
150.02855	0.4
161.04579	2.6
161.09778	3.5
161.13423	1.7
163.11345	1.0
167.03510	1.8
168.03874	0.3
179.05630	6.2
187.11305	5.6
189.09294	1.5
189.12912	0.5
193.72656	0.3
203.10818	0.7
205.12263	2.6
207.10254	1.6
223.13390	21.9
223.62538	0.4
224.13789	1.1
229.12280	0.4
234.53128	0.3
249.11313	2.5
252.05078	0.4
267.07568	1.5
267.12360	23.5
268.12729	1.5
309.13568	0.4
369.15500	0.5
371.38040	0.3
385.10226	0.5
387.20563	0.4
394.20230	0.4
429.17688	4.2
430.18097	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	0.5
57.03448	1.4
58.00586	0.6
59.01380	100.0
60.01720	1.0
61.98834	2.6
65.07811	0.2
69.03479	0.3
70.47422	0.8
71.01385	17.4
72.99303	1.1
73.02954	4.1
73.53639	0.2
74.02480	0.3
75.00867	0.3
79.95748	0.5
81.03493	0.2
83.01385	1.9
84.37286	0.2
85.02960	5.8
87.00895	1.7
88.00417	0.2
88.04056	0.4
89.02454	9.7
92.72206	0.2
92.91566	0.2
93.03486	0.3
95.01387	1.4
96.96025	12.8
97.02985	0.6
99.00888	0.9
101.02454	10.1
111.00876	0.3
113.02467	11.3
115.95128	0.2
119.03522	4.1
123.04523	0.3
123.08109	0.3
125.02488	0.4
128.03510	0.3
129.10396	0.2
131.03534	0.6
135.02768	1.8
143.03523	1.7
145.05063	0.6
145.06160	0.3
149.04552	0.3
150.90712	0.3
156.06694	0.2
158.45164	0.2
159.03003	0.4
159.08026	0.2
161.04587	3.7
161.05916	0.5
163.11205	0.2
179.01826	1.2
179.05641	1.7
189.12830	0.7
191.05461	0.3
195.13879	1.5
197.15395	0.3
205.05025	0.3
205.12187	0.3
225.14964	2.5
241.00267	0.4
259.01440	0.3
282.94901	0.3
362.16431	0.3
366.18347	0.3
369.19186	9.0
370.19492	0.9
387.20258	13.6
388.20447	1.3
399.22281	0.3
411.22296	0.4
415.83707	0.3
429.14291	13.7
429.22180	1.2
430.14502	1.7
430.20032	0.3
430.22345	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
55.61580	0.2
57.03438	0.7
58.00584	0.4
59.01377	100.0
60.01722	1.3
61.98820	0.3
67.69438	0.2
71.01385	6.0
72.99294	0.2
73.02953	1.6
83.01407	0.7
83.05001	0.5
85.02963	2.1
87.00887	1.2
89.02441	3.8
95.01406	0.7
96.96030	0.5
99.00896	0.6
101.02454	3.7
101.71474	0.3
113.02465	3.5
114.43489	0.3
119.03484	1.5
120.05853	0.3
125.02455	0.3
130.08754	0.4
161.04610	1.6
163.11269	1.8
165.05577	0.3
179.05614	1.5
187.11339	0.4
189.09314	0.9
189.12883	1.0
205.12346	0.4
207.10257	0.8
207.13853	0.4
225.14984	0.6
232.50711	0.3
249.11383	0.5
255.02945	2.1
267.12408	1.3
283.02463	4.4
314.89670	0.3
369.15390	1.1
369.19370	3.8
387.20325	3.9
388.20911	0.4
429.17560	2.3
429.21436	0.3
430.08972	1.8
430.18039	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.213
Annotation	Dehydroradiosumin
Peak:m/z	Relative Intensity
55.01875	0.9
57.03449	2.6
58.00594	1.2
59.01377	100.0
60.01720	1.1
61.98825	0.7
63.80106	0.3
69.03472	0.6
69.13951	0.3
71.01382	24.9
72.01730	0.6
72.99316	1.3
73.02952	6.7
75.00868	0.4
75.58875	0.3
83.01392	3.5
83.05045	0.5
85.02953	8.8
87.00890	2.7
89.02451	14.0
95.01396	1.9
96.96026	0.4
97.02951	0.7
99.00336	0.3
99.00867	1.6
101.02451	17.0
102.02771	0.3
113.02455	10.3
114.02811	0.5
119.03515	4.9
125.02464	1.1
131.03526	0.7
135.04544	0.3
137.09753	1.0
143.03532	1.5
146.73282	0.3
149.04495	0.4
152.08456	0.9
153.12860	0.4
159.03065	0.4
161.04572	2.1
161.13425	0.4
163.11279	0.8
179.05641	0.8
181.12331	0.4
187.11218	0.5
195.13889	0.7
197.15482	1.2
205.12367	0.8
207.13910	1.6
223.13411	0.4
225.14961	9.3
226.15382	0.5
267.12317	0.7
369.19177	34.3
370.19604	3.7
387.20245	49.8
388.20615	5.2
429.21423	17.9
429.27338	0.6
430.21552	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	429.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	2.0
58.00599	0.7
58.58757	0.3
59.01378	100.0
60.01711	1.2
61.98830	0.5
69.03447	0.3
69.36952	2.9
69.37362	0.5
71.01384	10.2
71.05020	0.5
72.99319	0.7
73.02955	2.6
82.69014	0.3
83.01390	1.7
83.05022	0.6
85.02964	2.4
87.00873	3.5
89.02451	10.1
89.03006	0.5
95.01417	0.8
95.05059	0.6
96.96047	0.9
97.02992	0.3
97.06626	1.1
98.95660	0.3
99.00877	0.5
101.02457	5.4
102.02821	0.4
107.05041	2.6
109.06632	0.8
111.04537	0.6
113.02465	4.0
119.03501	3.5
125.02469	0.4
135.04553	1.0
137.09848	0.4
143.03575	1.0
149.04630	0.6
161.04572	5.2
161.09734	2.1
161.13414	1.6
163.11353	1.5
177.81615	0.3
179.05612	3.3
179.06770	0.3
185.13231	0.4
187.11317	2.6
189.09296	1.2
203.10788	0.6
205.12331	3.1
207.10251	2.4
207.13992	0.3
221.06656	5.7
222.07031	0.4
223.13396	26.9
224.13689	2.4
225.14958	0.5
229.12520	0.5
249.11304	1.7
267.12350	32.3
268.12671	3.0
291.12619	0.5
309.13528	1.2
369.15689	1.3
429.17078	1.8
429.26672	0.7
430.18475	0.4
445.92911	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72063	0.8
57.03444	4.0
58.00593	0.8
58.53530	0.6
59.01377	100.0
60.01715	0.9
61.98843	0.8
64.18726	0.7
70.56907	2.4
71.01383	16.1
71.05019	0.9
72.99338	0.9
73.02963	2.6
83.01395	3.2
83.05042	2.1
85.02974	2.6
87.00876	6.1
89.02456	15.7
95.01401	1.4
96.96040	1.5
97.06595	6.7
101.02450	8.0
107.05040	16.5
113.02452	7.4
119.03525	4.0
120.05831	3.1
135.04572	4.0
141.05589	0.9
143.03514	0.9
159.08171	0.8
159.11801	1.4
161.04581	1.6
161.09723	10.7
161.13370	6.3
163.11304	1.8
179.05626	2.0
185.13264	0.9
187.11288	15.5
188.11655	0.9
189.09250	4.4
203.10832	2.9
205.12312	9.8
206.12569	0.7
207.10298	4.3
220.07164	0.7
223.13388	66.3
224.13695	5.2
229.12283	1.5
231.10109	1.2
249.11366	7.9
250.11621	1.0
267.12344	90.2
268.12683	7.7
279.46094	0.7
291.12427	1.0
309.13474	1.8
369.15567	2.6
397.10980	0.8
429.17529	16.8
430.17926	1.7
450.87885	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1582
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11754	0.5
57.17131	0.5
59.01380	3.8
61.98828	24.1
69.68507	2.5
69.68937	1.6
71.01397	0.6
72.33501	0.5
78.95924	1.9
84.93845	0.6
95.05013	0.5
96.96023	1.2
96.96953	3.1
98.95609	1.9
98.97467	0.6
99.92591	57.6
100.92624	2.8
100.93384	6.5
115.92089	95.8
116.92133	6.0
116.92866	100.0
117.92898	5.0
120.99645	2.7
123.65567	0.5
132.92365	0.7
136.91568	0.5
163.11259	0.6
171.10228	0.5
172.81233	0.5
201.97400	0.5
211.13405	1.3
225.02393	0.7
229.14487	1.4
248.05164	0.8
255.03337	0.6
263.03827	0.7
263.20239	0.5
267.03302	1.4
279.03192	0.9
293.04858	13.3
294.05267	1.8
295.02771	0.6
297.04330	0.8
307.02872	0.8
309.04245	0.7
310.05002	1.2
311.05872	1.4
325.04123	0.9
329.23340	5.7
340.10651	0.5
375.08102	0.9
375.12704	18.6
376.12936	3.4
389.10623	2.8
393.13730	30.2
394.13953	4.0
407.11566	7.0
408.11475	1.0
411.14819	5.8
412.14859	1.1
429.15799	33.8
430.16052	6.5
443.45193	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	3.0
58.00590	1.1
59.01377	100.0
60.01712	1.0
61.98827	1.7
64.79265	0.4
69.03454	0.8
69.62164	3.7
70.91684	0.5
71.01381	21.2
71.05019	0.9
72.01746	0.6
72.99319	1.4
73.02949	16.5
75.00871	0.8
81.03480	0.5
83.01391	5.8
83.05048	1.5
85.02954	4.7
87.00890	5.4
89.02454	13.5
89.90570	0.4
94.46932	0.4
95.01416	1.0
95.05109	0.5
96.96039	1.8
97.06588	3.4
98.20722	0.7
99.00899	1.0
101.02455	17.8
101.03107	1.0
107.05042	10.8
113.02463	9.3
116.34647	0.4
119.03529	4.3
120.05848	1.8
125.02491	0.6
131.03548	1.3
135.04552	2.0
141.05605	1.1
143.03590	1.4
145.10155	0.5
149.04597	1.1
152.04816	1.0
159.08208	1.0
159.11852	0.6
161.04585	2.8
161.09741	7.5
161.13368	3.8
162.10072	0.5
163.11327	1.7
179.05661	1.6
187.11292	10.5
188.11757	0.6
189.09229	4.5
190.09619	0.6
203.10886	1.6
205.12347	5.7
207.10217	2.8
223.13385	54.0
224.13747	3.5
225.14993	1.0
229.12418	1.5
247.13292	0.4
249.11270	5.5
265.14310	0.5
267.12347	54.5
268.12662	4.4
291.12448	0.8
309.13641	1.3
339.14664	0.6
343.08688	0.4
360.09592	0.6
369.15631	1.5
369.19577	1.4
387.20261	0.9
429.17633	7.5
429.26767	0.6
430.17929	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	0.5
57.03444	2.3
58.00591	0.7
59.01377	100.0
60.01712	1.4
61.98828	1.2
69.03432	0.5
70.73605	0.9
70.74008	0.9
71.01387	14.1
71.05019	0.8
72.99314	0.9
73.02950	2.7
74.84763	0.4
83.01376	2.3
83.05029	1.0
85.02975	2.1
87.00888	4.8
88.11330	0.4
89.02451	15.0
95.01408	1.1
95.05070	0.8
96.96040	0.5
97.06593	4.1
101.02445	6.6
105.03487	1.1
107.05035	7.3
113.02463	5.8
113.06100	0.5
119.03516	4.4
120.05840	2.2
125.02473	0.5
131.03571	0.6
135.04547	2.2
141.05626	1.2
143.03522	1.3
149.02461	2.0
152.04807	0.5
157.06613	0.7
159.08115	0.7
159.11797	0.5
161.04576	2.5
161.09741	7.4
161.13370	3.5
163.11299	2.2
167.03540	1.2
179.05647	3.7
179.10754	0.6
185.13326	0.6
187.11302	10.2
187.12894	0.8
188.11629	1.1
189.09233	4.7
203.10817	1.5
205.12318	4.4
207.10266	4.7
216.98793	0.5
223.13393	43.2
224.13753	3.4
229.12392	0.9
249.11340	5.2
265.14371	0.8
267.12354	55.0
268.12686	4.7
309.13458	1.7
343.09042	0.6
369.15399	2.0
369.19565	0.6
385.10382	0.8
411.16458	0.5
429.17682	11.0
430.18320	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1322
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	5.4
59.05400	0.3
61.98823	3.7
63.52571	0.3
69.58805	0.3
69.81235	2.6
91.86451	0.3
95.85976	0.4
96.96008	0.9
96.97003	0.4
99.92584	0.4
102.05662	0.8
145.02922	0.6
146.03741	1.7
160.01678	8.1
161.02283	0.4
172.51277	0.4
174.03230	12.3
175.03522	0.9
195.41460	0.4
203.07146	100.0
204.05685	0.6
204.07471	6.7
207.49049	0.4
255.61900	0.4
311.22198	0.6
429.13126	0.5
429.26813	0.8
430.26453	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.0675
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08088	1.8
56.94221	1.5
59.01382	20.5
60.99303	13.8
61.98835	12.9
62.03279	1.8
71.01379	6.4
71.65268	2.4
76.30824	1.7
78.95940	1.7
87.00885	10.8
88.00379	1.8
88.04033	3.9
88.98814	93.2
89.02452	5.8
89.23743	1.5
90.50465	1.8
93.03457	3.2
95.01385	1.5
96.96034	4.3
101.02502	2.1
102.41702	1.6
105.25516	2.0
113.02484	2.1
114.05661	1.5
115.00391	3.6
119.03530	1.6
119.05091	1.6
121.02957	1.7
128.03586	2.1
133.03024	3.9
134.03757	7.8
135.04503	2.1
137.02470	4.7
137.49065	1.6
141.84309	1.6
149.06091	3.0
162.06876	2.2
164.04790	2.1
167.03574	5.0
171.07793	1.8
177.01956	100.0
178.02388	7.0
192.04294	2.2
193.05057	5.7
207.06618	12.8
238.91995	1.8
249.07675	3.5
266.91507	18.3
267.08698	17.2
268.09106	1.9
268.50482	1.7
285.46164	1.6
333.20111	1.7
339.07220	51.9
340.07516	4.7
343.06827	2.5
371.09998	2.3
428.96848	11.1
429.14117	4.0
429.23709	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	429.1071
Annotation	Bispyribac
Peak:m/z	Relative Intensity
59.01381	18.0
61.98830	4.9
63.64545	0.4
67.36662	0.4
71.01388	2.8
71.17950	1.1
72.99291	0.5
73.02950	1.6
73.46878	0.4
79.95748	2.8
80.96526	1.5
85.02959	1.5
87.00865	2.0
89.02447	1.1
93.03456	0.6
96.96021	100.0
101.02462	2.4
103.00373	0.8
111.11671	0.4
120.99649	0.6
129.00723	0.5
130.44591	0.4
138.97070	0.7
145.06215	0.6
161.04614	0.7
164.98566	0.6
191.05623	1.3
225.14957	0.7
241.00302	0.8
325.09576	2.6
340.73831	0.4
343.10681	81.1
344.10953	6.1
385.11737	62.2
386.12070	6.2
411.09814	1.1
429.10715	21.2
429.26492	1.0
430.10764	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1074
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93792	0.7
56.58620	0.7
57.03466	1.3
58.38750	0.6
58.43365	0.7
59.01381	34.2
59.56566	0.7
61.98832	44.4
66.95128	0.8
70.38195	0.7
71.01384	6.3
71.61509	1.2
73.02973	2.8
78.95924	0.9
79.95743	4.9
80.96558	1.8
83.01403	1.0
85.02955	1.5
86.00123	1.0
87.00934	3.2
89.02485	2.2
96.52689	1.0
96.96021	96.4
98.95679	0.7
99.00937	0.8
101.02473	4.6
103.00394	8.8
113.02510	1.8
119.03535	1.0
120.01288	0.8
122.39010	0.8
135.04633	0.8
145.69023	0.7
151.11369	0.9
155.99889	0.9
159.84721	0.8
161.04640	1.7
164.98671	3.1
179.05617	1.0
180.98140	1.6
181.12372	1.5
207.13969	3.5
225.11328	1.9
225.14990	6.8
241.00294	3.5
274.72308	0.9
285.04041	0.9
287.77789	0.9
325.09698	2.0
343.10687	100.0
344.11008	7.0
385.11761	42.7
386.11951	3.5
411.09689	2.6
429.10657	33.5
429.20734	1.9
429.26135	1.6
430.10764	2.9
430.16629	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.3533
Annotation	Ningpeisine
Peak:m/z	Relative Intensity
53.08672	0.6
59.01105	0.9
59.01379	9.0
61.98820	2.6
77.39616	0.6
77.58121	0.7
85.02975	4.8
92.05077	4.4
98.19933	1.4
102.12946	0.6
106.06676	0.8
116.05080	2.6
131.94421	0.8
147.64452	0.8
184.06088	0.8
187.96425	0.7
188.14351	0.7
200.14432	1.8
209.23593	0.7
214.15987	1.6
218.19112	1.6
228.17584	2.5
230.19188	1.1
242.19162	6.9
256.20630	1.1
270.22278	3.1
340.30072	2.1
342.31662	100.0
343.32050	12.6
368.09238	1.2
386.30725	2.6
428.35352	56.3
429.26483	1.8
429.35553	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	429.0675
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	11.4
60.99310	14.5
61.98830	1.9
71.01375	2.3
71.04405	1.6
73.02943	0.9
74.02481	0.8
85.02940	0.6
87.00860	0.8
88.98811	100.0
89.02455	1.2
89.99139	1.1
94.07343	0.8
96.00925	6.2
96.96021	7.2
98.02503	4.8
101.02464	1.1
109.01696	0.6
113.02458	1.0
113.84654	0.7
116.07209	4.3
119.03614	0.6
128.03560	1.5
129.10306	0.8
130.08760	0.9
132.28706	0.6
134.03761	1.6
149.02408	0.6
149.06087	0.7
151.08720	0.7
161.04573	0.7
162.06886	0.7
168.11385	0.9
169.09824	1.0
173.07567	0.8
176.01169	4.4
177.01938	37.1
178.02364	1.9
186.12538	5.6
191.05634	0.9
191.25273	0.6
193.05093	1.3
194.93054	0.7
198.12450	0.7
206.05711	0.7
209.09390	0.7
213.08759	1.4
216.13472	4.1
219.06567	0.7
221.08197	1.8
223.09752	0.7
238.04874	0.9
238.92024	0.8
241.11874	0.9
249.07666	6.0
266.91470	7.1
313.15240	1.4
333.22940	1.0
339.07199	23.2
340.07562	1.9
343.06940	0.9
351.24002	1.2
369.24969	1.6
385.08365	0.6
387.20352	0.9
400.22046	0.7
425.68661	0.7
428.96835	3.1
429.14078	8.1
429.23068	1.1
430.23123	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	427.2702
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
60.01715	1.4
61.98829	3.2
71.01398	1.9
71.69855	0.7
80.43418	0.5
91.04026	2.7
115.00413	0.9
134.04651	0.7
150.82831	0.6
152.99734	0.6
171.10329	1.2
181.12408	0.6
223.07130	0.6
234.16681	0.6
253.61992	0.6
270.69531	0.5
275.20276	2.5
284.84390	0.6
293.21191	9.8
294.21585	1.2
311.22229	6.7
312.22400	0.8
329.73880	0.5
427.25024	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	428.12
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	14.7
60.01707	1.2
61.01798	0.7
61.98831	100.0
69.58212	1.5
69.58615	4.4
71.01393	1.4
73.02974	0.6
75.13003	0.6
83.06002	0.5
89.02480	0.8
96.96027	1.1
98.20647	1.3
101.02479	0.8
111.04550	1.4
115.07668	0.7
127.07689	2.8
203.07224	1.9
204.07527	3.6
205.07687	1.9
206.08026	2.0
243.12430	2.6
280.96506	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.135
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	1.0
59.01377	100.0
61.98830	8.2
67.01887	1.4
68.01422	10.4
69.03446	1.3
71.01389	15.7
71.66536	1.4
71.66936	1.4
73.02948	3.0
78.95927	3.0
83.01402	2.1
85.02962	7.8
86.67333	0.9
93.03474	12.5
95.01339	1.2
96.96021	2.7
96.96991	3.9
99.00879	1.3
101.02446	5.3
104.32532	1.0
110.02494	4.1
113.02457	5.5
125.02485	1.7
136.81158	1.2
159.04558	1.2
161.04573	9.3
164.70853	1.1
169.06583	2.0
203.05640	3.8
213.05579	1.1
223.06282	8.0
227.07152	13.0
228.07423	1.2
230.06650	2.0
239.07141	19.7
240.07458	1.2
250.08737	3.9
267.06552	1.6
281.08154	2.8
331.24948	2.5
349.17108	1.3
425.17819	1.3
428.25159	2.6
434.14099	1.3
453.98511	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.1559
Annotation	Unknow
Peak:m/z	Relative Intensity
56.67831	3.2
58.00591	4.8
59.01376	96.5
60.99303	4.0
61.98530	4.9
61.98828	58.7
69.03451	3.3
69.91476	6.4
69.91890	13.0
71.01385	63.7
72.99326	3.9
73.02944	4.8
77.46976	2.4
80.89511	2.4
81.03447	3.9
85.02959	12.0
87.00861	14.6
87.05656	3.7
88.98815	34.2
89.02450	100.0
90.02805	3.9
91.08945	2.6
95.01388	4.9
96.96000	6.8
97.50087	2.2
99.04525	7.2
101.02439	36.7
106.37885	2.6
107.03453	3.0
111.94333	3.1
112.16704	2.8
113.02441	25.5
116.05070	10.3
119.03513	42.3
125.02419	3.1
128.03419	3.6
130.08786	4.2
131.03499	6.6
133.02975	3.9
134.03758	5.8
135.04556	3.2
142.06633	51.8
143.03482	11.6
146.06152	4.0
149.04604	4.6
151.37257	2.8
161.04573	10.6
163.04053	3.1
167.03514	6.8
170.06139	48.9
177.01939	19.1
178.02791	3.4
179.05624	56.1
180.06133	3.0
189.00360	3.9
191.05658	2.8
193.05017	6.2
207.06569	4.5
266.91461	5.1
267.08691	5.2
276.29196	3.0
277.62225	3.1
339.07169	12.3
350.12378	7.5
371.09845	4.0
379.89380	3.6
428.96909	3.7
429.14145	4.3
429.19586	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	427.2335
Annotation	Nummularine F
Peak:m/z	Relative Intensity
58.63347	0.7
59.01379	3.7
61.98829	8.8
71.01385	100.0
71.41417	1.1
72.01711	1.6
78.95895	2.0
83.05022	0.8
89.02421	0.7
96.96021	1.2
96.99357	0.7
97.21400	0.6
99.08191	0.9
99.92596	1.2
101.02459	1.1
115.00386	87.5
115.92126	2.2
116.00712	1.9
116.92857	2.3
126.87316	0.7
135.61700	0.6
139.11240	1.2
141.47449	0.6
146.96802	0.7
158.35365	0.6
165.74722	0.6
171.10297	4.8
183.13882	0.9
193.12297	2.0
199.40829	0.7
209.11839	1.4
211.13370	5.2
229.14449	2.0
237.14941	0.7
246.49675	0.6
265.18088	1.9
293.21198	3.8
311.22336	7.3
329.23346	13.9
330.23752	1.5
427.23392	87.9
428.23660	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	427.2704
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
60.01720	1.1
61.98826	2.5
76.49873	0.4
87.84875	0.5
99.29766	0.4
109.33611	0.4
249.18611	12.8
249.21182	0.7
250.18999	1.3
265.10217	0.5
278.30191	0.4
427.25116	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2701
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
60.01714	1.3
61.98833	2.5
65.44956	0.3
71.05916	0.8
71.06269	0.6
80.48280	0.4
92.37931	0.4
124.44559	0.3
129.92976	0.4
135.44968	0.3
183.21269	0.4
249.18584	13.6
250.18935	1.3
331.39166	0.4
340.31604	0.4
393.06897	0.4
427.25021	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2703
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19508	0.7
59.01379	100.0
60.01719	1.0
61.98846	2.2
62.39262	0.7
62.80457	0.6
71.61829	1.3
99.92620	0.9
141.33951	0.8
218.05939	1.5
218.13181	0.7
233.08282	1.3
249.07056	0.7
293.21332	2.4
294.21899	0.8
330.05499	0.8
427.24640	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05407	0.2
55.01876	0.2
57.03453	0.8
59.01379	100.0
59.54491	0.2
60.01710	1.1
61.98830	14.8
70.52782	0.6
71.01383	9.9
71.05029	0.3
72.99318	0.2
73.02949	2.1
74.88771	0.2
78.95923	0.3
83.01392	1.1
83.05044	0.2
84.31895	0.2
85.02956	3.7
87.00879	0.7
89.02449	2.3
95.01396	1.1
96.96059	0.6
97.02970	0.6
99.00916	0.8
101.02466	3.9
109.02975	0.2
113.02461	7.3
113.06100	0.2
119.03535	0.6
123.08221	0.4
125.02475	0.2
125.06123	0.3
130.08800	0.4
131.03575	0.3
135.08220	0.2
136.05360	0.7
138.06882	1.9
139.07683	1.0
143.03430	0.4
150.73518	0.2
151.07663	2.7
152.08450	8.2
153.09232	14.5
154.09628	0.8
157.12396	0.4
161.02545	0.4
161.04561	2.0
161.09764	0.3
163.11371	0.3
165.09253	0.7
165.71107	0.2
187.11342	0.3
190.10045	0.4
191.05685	0.3
203.11078	0.4
203.12965	1.1
205.08522	1.1
205.12335	10.5
206.12619	0.5
214.18680	0.2
219.06624	0.5
223.13388	2.5
247.09555	0.4
265.10501	1.4
314.74158	0.2
326.95074	0.2
328.13083	0.2
331.72168	0.2
345.32074	0.2
365.18179	5.8
365.22470	0.3
367.17630	7.6
367.27740	0.3
368.17999	1.1
371.66354	0.2
372.19894	0.2
385.18707	1.8
397.21106	0.2
427.13034	0.7
427.19775	1.3
428.25446	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	0.5
57.03451	1.2
59.01377	100.0
60.01707	1.1
62.71268	0.3
67.92107	0.4
69.03458	0.7
69.61842	3.1
71.01385	18.8
72.62995	0.4
72.99301	0.5
73.02950	16.3
83.01381	4.1
83.05013	0.5
85.02959	5.2
87.06255	0.4
89.02448	4.5
95.01408	1.5
95.05048	1.1
97.02961	3.0
99.00874	0.7
101.02452	12.5
105.07098	0.4
108.05843	1.0
109.02964	0.5
109.06645	1.1
113.01718	0.8
113.02461	8.3
113.06128	1.6
119.03513	1.5
122.03753	1.2
123.08213	2.1
124.05301	0.4
125.02500	0.5
125.06114	1.3
131.03505	0.6
135.08199	0.6
136.05339	2.2
137.06071	0.7
138.06892	11.7
139.07678	4.0
143.03516	0.7
149.04811	0.4
149.06041	0.9
151.07674	9.7
152.04869	0.8
152.08456	24.4
153.09239	64.8
154.09593	3.0
155.03561	0.5
161.04596	4.1
161.09720	0.6
163.11293	1.4
165.09227	2.1
167.07118	0.6
174.68813	0.4
187.11377	0.8
189.09245	0.6
190.10054	1.2
203.05690	0.5
205.12344	19.3
206.12735	1.0
223.13382	9.5
224.13835	0.9
229.12311	0.5
313.76828	0.4
367.17645	7.1
368.17935	0.8
385.18665	3.4
427.19638	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	427.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	0.4
56.98032	1.0
57.03444	1.7
58.00602	1.4
58.44310	0.5
59.01379	100.0
59.25586	0.3
60.01715	1.3
61.04280	0.3
61.98832	2.2
69.03455	1.6
71.01385	39.0
71.57647	0.7
72.01727	0.6
72.99318	2.1
73.02949	37.0
74.03297	0.8
75.00902	0.4
78.95921	0.9
80.96532	0.5
81.03452	0.6
82.02451	0.3
83.01394	12.5
83.05049	0.6
84.01729	0.3
85.02956	5.7
87.00906	1.5
89.02451	13.5
90.02818	0.3
95.01402	1.8
95.05056	0.5
96.96023	7.1
97.02978	0.9
99.00907	1.3
99.04520	0.4
101.02454	36.9
102.02801	1.2
107.05048	0.3
109.02990	0.4
109.06657	0.4
111.04548	0.5
113.02466	16.7
119.03506	4.9
120.99674	2.6
123.04562	0.4
123.08183	1.9
125.02497	2.2
125.09811	0.5
127.04062	0.4
131.03503	3.3
135.08202	0.8
137.09741	0.5
139.02287	1.4
143.03519	3.9
147.04622	0.4
147.08194	1.2
149.04588	3.4
153.09227	9.4
155.03549	1.0
159.11848	0.5
161.04573	10.2
161.09760	0.4
163.11357	0.8
165.09248	0.5
175.11348	0.5
177.13014	0.5
179.05685	2.0
187.11305	2.8
189.09187	0.8
190.09985	0.5
203.05655	1.1
203.10835	1.1
205.12335	13.9
206.12766	1.2
221.06702	1.3
223.13394	3.3
230.18874	0.4
265.10895	1.1
341.09088	3.8
347.24561	0.6
367.17670	5.4
368.18094	0.5
383.10220	2.6
385.18668	7.7
385.23270	0.5
386.19223	0.8
427.08582	0.8
427.13513	1.4
427.19931	7.6
427.25034	0.8
428.20392	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	0.4
56.98032	1.0
57.03444	1.7
58.00602	1.4
58.44310	0.5
59.01379	100.0
59.25586	0.3
60.01715	1.3
61.04280	0.3
61.98832	2.2
69.03455	1.6
71.01385	39.0
71.57647	0.7
72.01727	0.6
72.99318	2.1
73.02949	37.0
74.03297	0.8
75.00902	0.4
78.95921	0.9
80.96532	0.5
81.03452	0.6
82.02451	0.3
83.01394	12.5
83.05049	0.6
84.01729	0.3
85.02956	5.7
87.00906	1.5
89.02451	13.5
90.02818	0.3
95.01402	1.8
95.05056	0.5
96.96023	7.1
97.02978	0.9
99.00907	1.3
99.04520	0.4
101.02454	36.9
102.02801	1.2
107.05048	0.3
109.02990	0.4
109.06657	0.4
111.04548	0.5
113.02466	16.7
119.03506	4.9
120.99674	2.6
123.04562	0.4
123.08183	1.9
125.02497	2.2
125.09811	0.5
127.04062	0.4
131.03503	3.3
135.08202	0.8
137.09741	0.5
139.02287	1.4
143.03519	3.9
147.04622	0.4
147.08194	1.2
149.04588	3.4
153.09227	9.4
155.03549	1.0
159.11848	0.5
161.04573	10.2
161.09760	0.4
163.11357	0.8
165.09248	0.5
175.11348	0.5
177.13014	0.5
179.05685	2.0
187.11305	2.8
189.09187	0.8
190.09985	0.5
203.05655	1.1
203.10835	1.1
205.12335	13.9
206.12766	1.2
221.06702	1.3
223.13394	3.3
230.18874	0.4
265.10895	1.1
341.09088	3.8
347.24561	0.6
367.17670	5.4
368.18094	0.5
383.10220	2.6
385.18668	7.7
385.23270	0.5
386.19223	0.8
427.08582	0.8
427.13513	1.4
427.19931	7.6
427.25034	0.8
428.20392	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	2.6
57.03446	1.7
58.00589	0.8
59.01380	27.4
61.98831	34.4
62.50814	0.6
63.83948	0.7
68.10287	0.6
69.96580	3.2
71.01383	22.4
72.14194	0.7
72.99327	1.1
73.02954	17.2
75.00879	1.1
82.95424	1.0
83.01388	6.1
85.02953	14.7
87.00872	3.2
88.98827	3.9
89.02460	6.4
95.01366	2.3
96.96026	4.1
97.02941	1.6
99.00903	5.9
101.02456	31.2
111.00883	1.0
113.01736	0.9
113.02464	11.9
115.03973	0.7
115.92040	1.1
119.05042	1.2
121.02908	1.1
124.11447	0.8
125.02438	1.3
131.03467	1.7
135.04500	1.0
143.03537	1.1
159.02998	2.6
161.04576	11.7
163.04054	1.6
177.01907	1.6
177.09555	1.7
178.02325	1.9
179.02502	1.3
191.05569	2.2
193.05130	1.9
198.38782	0.8
233.06770	0.8
235.11865	37.8
236.12244	2.5
265.07211	1.6
279.10870	0.8
305.74603	0.7
313.14771	0.8
347.04575	1.3
356.07751	0.7
367.16071	100.0
368.16455	10.1
427.02194	1.9
427.12369	1.8
427.17087	1.5
427.25131	1.2
441.69354	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.161
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27834	0.5
57.03447	100.0
58.00587	1.5
58.03781	1.5
58.98528	0.5
59.01377	70.4
60.01706	0.7
61.98818	0.9
64.69476	0.5
69.03458	0.6
70.54673	1.5
71.01381	24.9
72.99308	1.4
73.02948	18.1
77.01157	0.5
77.47446	0.5
77.60887	0.5
79.05540	1.3
79.99858	0.5
81.03464	1.8
83.01398	6.4
83.05022	0.6
85.02964	3.3
87.00911	1.1
89.02451	15.9
91.88271	0.5
95.01388	1.1
95.05061	1.2
96.96032	1.1
97.02953	0.5
97.06599	1.3
98.20573	0.6
99.00879	1.1
99.04526	78.2
100.04871	2.2
101.02451	37.2
102.02813	1.1
109.06596	0.6
113.02459	9.8
113.06101	1.6
119.03515	5.6
123.04539	9.5
124.04940	0.5
125.02464	25.1
126.02785	0.7
131.03488	1.8
141.05605	2.5
143.03514	4.4
149.04564	3.5
153.05586	1.6
155.03459	0.6
161.04572	7.1
172.41507	0.6
179.05598	4.5
180.05824	0.5
183.06703	0.8
189.07593	0.5
203.05713	0.7
221.06651	1.6
227.07146	0.7
333.91653	0.5
427.15714	2.8
428.26135	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.161
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	1.5
57.03448	100.0
58.03794	2.0
59.01379	88.4
60.01706	1.4
61.98827	3.9
65.27267	0.6
69.03432	0.7
69.65273	4.6
71.01382	17.4
72.99302	1.3
73.02942	7.1
73.57545	0.5
79.95758	0.7
81.03449	1.3
83.01402	4.1
85.02956	9.6
87.00890	1.2
89.02424	1.9
95.01351	1.5
96.96017	13.3
97.06621	0.6
99.00885	3.9
99.04527	78.5
100.04848	1.9
101.02451	31.8
111.00934	0.7
113.02469	8.0
121.02891	1.4
125.02462	22.2
126.02763	1.1
127.00345	0.9
129.06688	0.7
130.08690	2.3
143.03436	1.9
153.62654	0.6
159.03000	1.3
161.04578	8.2
179.10664	2.1
190.69354	0.7
192.07837	0.6
193.08464	1.9
197.56992	0.7
205.12149	0.6
220.07217	1.4
221.08188	3.7
223.09550	1.5
223.13216	1.0
249.07628	4.1
250.08005	2.7
265.10806	6.6
265.13547	1.1
283.11887	21.8
284.11832	2.0
307.11719	0.8
325.12506	1.4
341.09088	8.8
383.10092	6.2
412.12857	2.0
427.08380	2.6
427.15173	5.9
427.24893	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	427.0916
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15829	0.3
58.30564	0.3
59.01379	22.9
61.98805	0.8
65.98521	0.3
71.01387	4.9
71.69201	0.5
73.02947	3.7
79.95751	2.4
80.96536	1.4
83.01387	1.1
85.02944	1.4
87.00868	0.4
89.02451	1.9
95.01405	0.5
96.96020	100.0
97.95941	0.5
101.02454	4.4
103.00376	0.6
113.02439	2.3
119.03538	0.7
120.01291	0.5
125.02410	0.4
131.03539	0.3
132.05811	1.6
135.11830	0.4
138.97104	0.8
146.79935	0.3
148.01604	0.4
153.09225	0.9
161.04541	0.9
161.09734	3.6
164.98616	0.4
177.12764	0.3
179.05498	0.3
179.10771	1.6
205.08702	44.1
205.12370	1.5
206.09044	2.5
215.79768	0.3
222.98997	0.3
223.09770	0.8
223.13478	0.5
225.00826	0.3
241.00290	0.7
242.93558	0.3
265.14264	0.5
320.01450	0.4
323.08011	2.0
341.09109	74.1
342.09427	5.7
367.17749	0.5
383.10178	57.2
384.10440	5.3
385.18314	0.5
388.48862	0.3
409.08255	0.9
427.09134	15.9
428.09482	1.7
428.26520	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1426
Annotation	Unknow
Peak:m/z	Relative Intensity
55.83638	0.4
59.01379	15.3
61.98830	16.7
71.01372	1.1
71.69908	0.7
73.02957	0.5
78.95910	2.0
80.96355	0.4
85.02956	0.7
96.95995	2.2
96.96962	3.5
97.05919	0.4
97.06549	0.7
98.95587	1.3
98.97395	0.9
99.00866	0.7
99.92592	53.0
100.92614	1.9
100.93379	2.9
115.92089	77.0
116.92181	4.4
116.92869	100.0
117.92906	5.2
118.89999	0.5
132.92378	0.9
149.06122	0.5
171.10388	0.7
176.53499	0.4
197.99985	0.9
209.11708	0.9
211.13449	1.2
229.14508	1.1
231.04546	0.5
248.05040	0.6
255.03078	0.5
265.14392	0.5
267.03329	0.5
279.03238	0.7
287.02164	1.1
292.03983	0.5
293.04868	10.4
294.05054	1.1
295.06323	0.7
307.06436	0.8
307.35565	0.5
308.03519	0.5
309.04166	0.5
310.05060	1.2
311.05753	1.7
322.01437	0.6
322.05161	7.7
323.05280	0.7
325.03918	0.8
327.21777	5.0
373.11111	11.3
374.11407	1.6
383.14850	0.6
387.09094	1.4
391.12161	15.0
392.12515	2.8
405.10156	3.5
406.09955	0.5
409.13467	2.1
410.13290	0.7
427.14285	23.3
427.24326	1.3
428.14322	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	427.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47511	0.7
55.01874	1.7
56.77265	0.6
57.03447	100.0
58.03785	1.4
59.01378	91.0
60.01724	1.3
61.98838	4.0
70.14656	3.0
71.01381	19.1
72.99319	1.2
73.02950	9.0
77.92715	0.6
78.46928	0.7
79.95720	1.2
81.03473	1.7
83.01391	5.6
85.02951	9.2
85.79816	0.8
87.00886	1.7
89.02462	2.3
95.01431	0.8
96.96022	24.4
97.02966	1.0
99.00860	3.4
99.04527	76.1
100.04861	1.8
101.02451	33.7
113.02455	8.2
121.02961	2.2
125.02462	20.8
130.08740	1.7
143.03441	2.5
159.03001	1.4
161.04578	6.9
179.05605	0.9
179.10797	5.4
191.14308	0.8
195.24149	0.7
203.10648	1.5
205.08676	1.4
215.52014	0.7
221.08113	1.2
221.11833	1.0
223.09760	3.7
223.13203	0.8
228.99617	0.8
249.07576	1.5
250.08273	0.9
265.10648	2.9
265.14301	2.1
283.11823	20.7
284.12140	1.7
325.12659	0.9
341.09094	17.4
342.09186	1.5
383.06079	1.0
383.10248	11.5
384.10580	0.8
427.08890	2.6
427.15494	3.5
427.24939	1.8
428.25815	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1455
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26890	0.3
56.00729	0.2
57.03448	0.3
59.01377	11.0
61.92559	0.3
61.98833	4.4
63.16183	0.2
67.85465	0.2
70.89504	0.4
70.89841	0.7
71.01404	0.4
73.02952	0.9
78.95886	0.8
83.01384	0.8
85.02953	0.3
96.96025	0.9
99.00900	0.5
101.02459	0.5
113.02499	0.4
121.02975	0.5
123.04569	0.4
123.79638	0.3
127.00406	0.8
132.02141	0.4
134.03696	0.4
135.04526	3.2
145.02988	0.7
146.03754	1.9
159.04533	0.6
160.01674	17.8
160.90675	0.3
161.02078	0.5
173.02495	1.0
174.03252	3.6
175.03630	0.3
175.11647	0.4
178.02420	0.3
179.03510	3.5
180.03853	0.3
189.00426	1.0
199.04028	1.0
203.07149	100.0
204.07458	6.7
205.05023	0.9
242.67322	0.3
247.07527	0.3
289.08707	0.4
307.09604	0.8
318.05240	0.8
333.07666	0.8
337.14493	0.6
351.08728	2.1
365.10535	0.5
366.11160	0.9
381.13425	18.5
382.13770	2.6
425.14957	1.0
427.28833	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1585
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	0.7
59.01382	12.0
60.99298	1.9
61.98836	3.1
65.03969	3.5
69.51659	4.7
71.01384	3.0
73.02952	2.6
78.95898	1.9
81.03465	0.8
83.01390	1.5
83.05037	0.6
87.00887	0.7
89.02452	2.0
96.96023	4.2
98.20595	1.1
99.00867	1.6
99.08180	0.7
101.02457	1.2
106.04264	0.5
109.02962	2.0
113.02528	0.5
118.98129	0.7
119.03498	0.8
120.99654	1.4
126.06879	1.8
127.00370	2.9
127.07646	1.7
128.08467	10.4
129.09235	1.5
134.03799	0.6
134.04759	0.5
143.03554	0.6
147.11819	62.0
148.12163	3.2
160.07422	1.8
164.04816	1.7
165.12872	9.1
177.09204	7.7
178.09599	0.6
179.05708	0.6
179.07222	1.6
183.13918	23.9
184.14294	1.8
189.00444	3.0
191.05693	0.9
209.11781	1.1
221.08194	4.3
221.11710	0.6
227.07080	1.8
227.12891	100.0
228.13222	7.2
334.68274	0.5
381.19214	0.7
425.13284	0.6
425.18756	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	425.2181
Annotation	Macrocalyxin G
Peak:m/z	Relative Intensity
57.03454	1.1
59.01374	8.0
61.98827	12.9
62.78658	0.6
69.87196	3.8
71.01384	100.0
71.05032	0.7
71.55793	0.5
72.01700	1.1
73.02938	1.2
78.95898	1.8
81.03488	0.7
83.01375	1.1
83.05050	1.3
85.02942	0.8
96.96040	0.9
96.99429	0.7
97.02960	1.2
97.06602	1.4
98.20551	1.1
99.00893	1.3
101.02452	0.9
109.06602	0.7
115.00386	84.2
116.00748	1.3
116.92852	0.7
123.08157	0.6
124.30769	0.7
127.00382	1.9
129.70515	0.6
131.56905	0.7
137.09787	1.3
158.92558	0.6
159.70111	0.6
165.12903	1.2
171.10272	5.1
180.37994	0.6
183.13879	1.1
189.00443	2.5
191.05661	0.9
203.10786	1.5
209.11807	1.2
211.13371	3.7
211.34390	0.6
221.15352	1.1
227.13004	0.7
229.14436	2.4
291.19620	5.7
292.20096	0.8
309.20700	5.3
327.14948	0.6
327.21753	13.4
328.22208	1.2
332.44357	0.8
425.21802	77.9
426.21976	11.5
437.22113	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1455
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26890	0.3
56.00729	0.2
57.03448	0.3
59.01377	11.0
61.92559	0.3
61.98833	4.4
63.16183	0.2
67.85465	0.2
70.89504	0.4
70.89841	0.7
71.01404	0.4
73.02952	0.9
78.95886	0.8
83.01384	0.8
85.02953	0.3
96.96025	0.9
99.00900	0.5
101.02459	0.5
113.02499	0.4
121.02975	0.5
123.04569	0.4
123.79638	0.3
127.00406	0.8
132.02141	0.4
134.03696	0.4
135.04526	3.2
145.02988	0.7
146.03754	1.9
159.04533	0.6
160.01674	17.8
160.90675	0.3
161.02078	0.5
173.02495	1.0
174.03252	3.6
175.03630	0.3
175.11647	0.4
178.02420	0.3
179.03510	3.5
180.03853	0.3
189.00426	1.0
199.04028	1.0
203.07149	100.0
204.07458	6.7
205.05023	0.9
242.67322	0.3
247.07527	0.3
289.08707	0.4
307.09604	0.8
318.05240	0.8
333.07666	0.8
337.14493	0.6
351.08728	2.1
365.10535	0.5
366.11160	0.9
381.13425	18.5
382.13770	2.6
425.14957	1.0
427.28833	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1455
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	67.8
60.01715	0.8
61.98839	0.6
65.21808	0.2
70.81087	0.7
71.01387	0.7
73.02966	0.4
75.00919	0.3
83.01366	0.2
89.02428	0.2
93.03499	0.3
101.02470	0.9
106.10088	0.2
113.02471	0.4
115.00420	0.2
115.81395	0.2
119.03539	0.3
127.00398	0.3
130.04263	0.4
137.02463	0.4
145.02881	0.2
146.03789	0.6
154.85617	0.2
160.01677	4.3
161.02356	0.5
161.04524	0.3
163.41510	0.2
173.02399	0.3
174.03232	9.1
175.03636	0.3
182.03714	0.3
189.00307	0.3
203.07152	100.0
204.07486	6.7
225.09297	0.7
236.99246	0.2
239.43947	0.2
245.08087	0.3
277.77524	0.2
309.13516	0.3
365.12314	0.3
389.17627	0.2
391.19119	0.2
430.98450	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1454
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17471	0.8
55.01875	1.7
57.03452	4.4
58.00585	1.8
59.01375	29.6
61.98837	5.8
64.16669	0.7
65.03957	1.9
67.01882	1.5
69.03461	8.5
69.98805	4.7
71.01385	17.0
71.05013	1.5
72.99331	1.3
73.02950	3.4
74.99112	1.5
75.00896	1.5
78.95911	2.4
80.28186	0.7
81.03442	3.6
83.01390	2.4
83.05022	1.5
84.02171	1.2
85.02969	6.5
89.02445	9.4
91.85725	0.8
93.03478	6.7
95.01402	3.6
95.05029	11.3
96.96040	1.1
97.02966	9.9
97.06581	1.6
99.00881	3.0
99.04526	1.5
101.02459	13.4
105.03468	2.0
107.05051	4.7
108.02178	3.1
109.02961	5.4
109.06601	1.2
111.04517	2.6
113.02466	6.3
113.06089	3.0
115.00393	0.7
115.04027	3.2
115.92061	2.4
116.92894	0.8
119.03520	3.6
119.05026	3.3
121.02962	6.1
121.06570	1.3
122.03734	2.1
123.04545	20.3
125.02444	1.7
127.00391	1.4
127.03930	0.8
131.05046	1.8
133.02971	3.1
133.06589	2.9
134.03738	0.9
135.04550	4.9
136.99141	1.5
137.02464	1.0
137.06087	3.2
139.04007	7.6
143.03505	0.9
143.04994	1.3
145.02954	1.7
145.06618	4.0
147.04538	3.2
147.08209	1.3
148.01587	0.8
149.02428	1.9
149.06096	4.8
157.05090	1.8
158.03630	0.7
159.04547	2.1
159.08160	2.1
160.05286	1.3
161.04720	1.3
161.06096	5.3
163.07652	3.1
165.05577	3.3
173.06039	1.2
173.09782	0.8
176.01163	9.3
177.01941	100.0
177.05440	2.1
178.02278	6.0
183.08174	2.4
185.06064	1.6
186.06888	1.5
189.00389	1.3
190.06136	0.9
199.07607	1.5
201.09215	16.9
212.97226	1.0
217.08725	3.1
219.10320	3.5
227.59138	0.8
245.08203	2.7
263.09268	5.6
279.11487	0.7
339.07230	6.3
340.07544	1.4
344.97333	1.2
381.08243	14.9
381.12964	1.1
382.08618	2.2
387.16318	1.0
425.18491	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	425.1455
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88013	0.7
53.17816	0.9
57.03429	1.4
59.01378	50.0
60.01736	0.9
61.98829	4.9
69.03455	15.1
71.01386	8.7
71.05025	30.8
71.61067	1.6
71.86662	0.7
72.05354	0.9
73.02951	8.7
78.95920	1.7
83.01392	3.4
85.02964	0.8
93.03472	5.4
94.41301	0.7
96.96036	2.7
96.96967	1.0
99.00879	1.6
101.02439	5.1
107.05054	1.0
113.02478	1.8
121.02977	18.3
127.00402	3.5
132.08609	0.8
134.03777	5.7
137.02446	5.5
142.20042	0.8
147.00862	1.9
149.02524	1.2
149.09732	5.7
160.01669	2.7
161.02466	17.9
161.04533	1.2
165.01979	1.5
173.02414	1.1
174.03252	3.2
177.09206	7.9
189.00401	3.0
189.01979	2.4
193.08813	1.0
203.07153	43.3
204.07520	2.4
219.02962	1.9
221.08192	100.0
222.08511	7.0
234.82169	0.8
280.27258	1.0
311.79129	0.8
375.60455	0.8
415.46429	1.1
425.23431	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	425.1455
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03462	1.1
57.79597	0.7
59.01379	91.7
61.98830	9.5
66.39718	0.8
71.01384	2.1
71.71367	1.3
72.02146	0.7
73.02947	2.9
75.97495	0.7
78.95913	1.5
83.01419	1.4
87.00887	1.1
87.16044	0.6
94.33911	0.7
96.96007	2.0
99.00898	1.2
101.02456	1.2
102.90565	0.7
113.02399	1.3
120.12643	0.7
127.00389	3.4
134.03757	0.8
145.02985	0.8
146.03766	1.0
153.44946	0.7
160.01692	4.5
174.03242	9.1
189.00441	3.3
203.07150	100.0
204.07480	6.9
351.36569	1.0
365.12454	1.3
366.27774	0.9
416.68039	0.7
425.14935	1.3
433.16553	0.7
444.75424	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.146
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	2.9
60.01734	0.2
60.88988	0.2
61.98830	100.0
71.01385	0.4
71.42054	0.5
73.02968	0.4
81.46940	0.2
83.01391	0.2
96.96057	0.2
101.02449	0.2
108.02175	0.3
113.02431	0.2
120.01260	0.6
121.21006	0.2
127.00372	0.2
133.02953	0.3
136.99167	0.3
137.09744	0.6
155.10799	8.3
156.11166	0.5
165.07169	0.2
176.01161	1.5
177.01930	7.0
178.02284	4.4
191.05699	0.3
199.09776	6.8
200.09984	0.3
278.09204	0.2
303.13440	0.3
322.06342	0.2
361.15027	11.9
362.15366	1.2
363.07135	0.3
364.07538	2.3
365.07843	0.3
424.09662	2.9
424.14951	0.3
425.10025	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.1826
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98201	0.6
59.01364	1.2
61.98830	100.0
63.62802	0.6
66.04502	0.5
70.78365	1.3
71.01393	1.7
78.95865	0.8
82.78071	0.5
99.19989	0.5
115.00468	0.5
291.19705	1.4
292.65005	0.7
309.20715	5.9
332.06320	0.7
348.13150	0.6
366.81433	0.5
380.12061	2.6
424.16589	0.7
431.02576	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.0725
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	4.2
61.26131	0.4
61.77341	0.3
66.92169	0.4
69.70721	1.0
69.71120	1.6
80.10973	0.4
86.19084	0.4
93.03458	1.4
93.46318	0.4
105.03459	0.8
108.02180	1.7
120.02235	0.5
121.02980	1.6
123.04548	1.0
132.02187	0.5
133.03012	2.1
148.01707	0.8
149.02448	1.1
159.32500	0.4
174.09981	0.4
176.01151	8.7
177.01939	100.0
178.02251	5.0
178.51709	0.4
203.03630	0.6
235.27202	0.4
339.07169	7.7
340.07516	1.1
381.08273	15.5
382.08499	2.2
394.86911	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1242
Annotation	(-)-13alpha-Hydroxytephrosin
Peak:m/z	Relative Intensity
55.57455	0.3
59.01379	11.6
61.98533	0.5
61.98833	7.9
63.65832	0.3
71.01376	0.8
71.71593	0.4
73.02946	1.8
78.95903	0.9
82.95407	0.4
83.01388	0.9
96.96007	0.3
99.00887	0.7
101.02448	0.5
108.02192	0.4
114.04517	0.3
121.02930	0.5
127.00361	1.6
135.04535	1.8
145.02992	1.1
146.03740	3.4
159.04492	0.9
160.01674	17.8
161.02109	0.7
161.05861	0.4
171.04462	0.7
173.02414	1.0
174.03218	3.4
175.03757	0.4
175.11624	0.5
178.02629	0.4
179.03535	2.2
187.07631	0.3
189.00450	1.2
199.03966	1.7
203.07141	100.0
204.07465	5.8
205.05095	1.8
207.06624	0.3
221.08235	0.4
227.07167	0.5
230.05690	0.5
247.07658	0.7
289.08847	0.7
290.05984	0.4
292.07458	0.4
300.36298	0.3
300.53839	0.4
305.08344	0.4
307.09784	1.0
318.05405	1.1
333.07767	1.2
334.08124	0.6
337.14502	1.0
342.87042	0.3
343.08328	0.6
349.10873	0.4
350.08029	0.4
351.08670	4.3
352.08963	0.5
365.10413	0.9
366.10962	1.2
367.11676	0.4
381.13425	33.9
382.13782	4.6
436.71558	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.1461
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	0.2
59.01373	0.8
61.83044	0.2
61.98829	100.0
62.98546	0.2
69.59663	1.4
69.60077	0.4
71.01391	0.3
73.02951	0.4
87.88458	0.2
89.73806	0.2
96.96029	0.7
101.02483	0.3
113.02451	0.3
117.30533	0.2
137.09763	0.5
155.10789	7.7
156.11176	0.3
182.34651	0.2
189.00462	0.2
199.09758	13.8
200.10136	0.9
241.10912	0.4
261.43500	0.2
263.12808	0.3
279.29465	0.2
318.22723	0.2
341.09689	0.2
361.14975	1.4
425.11197	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.179
Annotation	Unknow
Peak:m/z	Relative Intensity
55.92585	1.5
59.01378	26.8
61.98830	4.9
67.64736	1.2
69.76906	3.4
69.77319	8.7
71.01401	1.8
79.28883	1.7
85.02913	2.0
93.03492	1.6
96.96027	1.8
108.02204	3.2
118.98100	5.5
125.11203	1.4
133.02975	4.2
137.02557	1.5
148.01723	2.7
176.01141	24.0
177.01938	100.0
178.02312	6.5
240.87016	1.5
355.41287	1.6
363.07181	26.6
381.07846	1.9
382.20529	1.7
408.13574	1.8
423.09341	27.9
423.17621	14.4
424.09653	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	423.2517
Annotation	Unknow
Peak:m/z	Relative Intensity
62.22029	0.3
70.93458	0.7
78.95907	14.5
94.99063	0.4
104.97518	0.6
110.98540	10.2
124.64482	0.2
137.00111	0.4
152.99580	0.8
163.02112	0.3
167.01180	13.1
185.02203	2.7
202.90756	0.3
255.23282	100.0
256.23621	9.4
258.03818	0.4
279.14694	0.2
281.14127	0.3
360.29190	0.3
404.46194	0.3
423.25165	26.1
424.25647	3.2
431.35822	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.1098
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	0.4
59.01379	19.7
60.01719	0.7
61.98831	100.0
70.99125	0.8
71.01384	16.8
71.41670	0.3
72.01728	0.9
72.99363	0.4
73.02950	4.5
75.00861	0.5
78.18481	0.3
78.95921	0.4
78.98611	0.4
79.95750	0.9
80.96521	4.7
80.98204	1.1
81.03473	0.4
81.95338	1.1
82.96110	11.3
82.96951	1.6
83.01400	1.4
83.05059	0.5
83.70630	0.3
85.02959	2.2
87.00895	1.2
89.02464	1.1
94.98100	1.2
95.01450	0.4
96.97070	0.6
96.97694	2.4
96.98524	0.4
97.02972	0.5
97.06602	0.3
98.19878	0.4
99.00905	1.5
101.02451	3.8
108.02184	0.4
108.97642	0.6
113.02454	1.2
113.06080	0.8
119.03506	0.5
120.01247	1.0
121.02954	1.7
122.03332	0.7
123.04539	0.8
124.01656	0.4
125.02467	0.6
133.02940	0.4
136.97151	0.6
143.04678	0.3
150.98672	0.8
151.07646	0.5
151.98969	0.4
154.98212	0.7
161.04593	0.4
164.98732	0.4
165.05331	0.3
166.98238	1.4
167.07132	0.4
167.98558	0.6
176.01151	1.5
177.01949	13.8
191.05582	0.5
216.17160	0.4
226.00977	0.5
227.00182	1.8
228.00783	1.1
244.18472	0.4
275.11374	7.5
276.11627	0.4
301.04297	0.7
302.04593	1.0
303.13367	0.7
339.07272	1.2
365.18155	1.1
381.08075	2.2
424.08334	27.4
425.08163	2.8
443.57269	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1087
Annotation	Unknow
Peak:m/z	Relative Intensity
53.98109	1.1
59.01374	9.9
61.98825	5.1
63.02405	1.5
65.00325	11.6
70.63393	4.6
71.01398	1.3
78.95905	1.3
83.01408	1.2
91.01904	46.4
92.02232	1.3
96.96021	1.2
97.54465	1.2
101.49314	1.1
108.02177	33.5
109.02441	1.2
111.00918	5.0
121.02973	2.6
123.00903	2.5
123.04540	100.0
124.01672	4.3
124.04874	3.9
134.03783	2.4
141.21349	1.2
147.04564	3.7
153.09526	1.3
159.04556	3.6
167.03528	1.4
172.05307	3.5
173.06075	4.8
176.01161	1.7
181.06602	7.9
182.06906	1.2
183.04550	2.5
187.07710	2.0
190.02641	1.8
196.05319	22.0
197.06078	30.7
211.07651	40.5
212.08006	2.8
219.06641	13.8
228.04236	3.5
255.06746	5.8
290.05933	2.7
297.97562	1.5
303.06546	2.2
304.07449	4.2
305.08102	7.3
306.08505	2.0
313.00082	2.2
318.08719	1.8
319.09726	7.8
320.10489	12.7
321.10922	1.4
328.02277	4.2
335.12857	16.7
336.13251	1.2
343.04532	5.6
351.91620	1.3
379.11722	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	423.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
56.75878	0.7
59.01378	14.5
61.98831	15.0
66.88268	0.7
68.79317	0.8
71.01385	51.0
72.99307	1.1
73.02950	3.0
75.00886	1.1
78.95893	1.0
79.95726	1.0
80.91678	1.2
83.01379	1.2
84.94543	0.9
85.02955	3.3
85.37640	0.7
86.67303	0.9
88.48564	0.8
89.02459	2.5
90.73042	0.8
96.96021	5.7
96.99344	1.1
97.06594	5.9
99.00893	2.0
101.02457	3.6
113.02470	2.4
115.00391	15.4
125.02432	1.1
129.01990	0.9
133.02948	4.4
134.03758	100.0
135.04619	8.9
137.02437	2.6
138.39059	0.8
147.02988	1.1
154.99864	1.3
160.84184	0.9
162.03250	2.5
173.92810	0.8
176.01219	2.4
177.01962	8.3
178.02734	23.1
179.03447	1.8
189.00307	1.1
219.13838	0.9
231.10255	3.4
232.10619	1.2
275.09222	17.5
291.17953	1.5
300.91171	0.7
307.11862	74.8
308.12140	6.4
340.14932	1.1
341.10901	1.8
354.00858	0.9
367.14249	1.3
368.14465	1.2
423.13287	1.1
423.21494	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1427
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	0.3
58.00552	0.3
59.01380	22.2
61.98830	3.0
65.57332	0.2
71.01401	1.7
71.66123	0.5
73.02934	0.5
74.99061	0.3
78.95879	0.3
85.02964	0.6
87.00890	0.5
89.02444	0.7
93.03470	1.1
95.01392	0.6
95.05064	0.3
96.96041	0.5
99.00874	0.4
99.04539	0.4
101.02471	0.9
105.03484	1.1
108.02197	3.1
110.07230	0.4
113.02459	0.6
113.06058	0.3
116.92873	0.3
118.98107	2.5
120.01331	0.7
120.02161	0.9
120.99684	2.3
121.02950	1.6
123.04572	2.0
127.04016	0.3
132.02171	0.5
133.03001	2.8
136.99237	0.3
147.04572	0.5
148.01663	1.7
149.02466	1.9
154.06241	1.1
162.05556	0.3
175.04094	0.8
176.01170	25.0
177.01945	100.0
178.02287	4.8
178.99908	0.4
184.07930	0.3
191.03508	0.5
201.11270	0.4
215.11906	0.6
219.02925	0.9
238.07333	0.4
261.13470	0.4
275.09116	0.5
285.12601	0.4
313.17413	0.3
321.06143	1.0
341.11072	0.6
361.14410	0.5
363.07214	27.8
364.07578	3.2
381.08243	1.3
405.13144	0.8
423.09320	28.5
423.13889	1.6
423.18463	5.1
424.09521	3.6
424.20935	0.5
431.93750	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1083
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	6.8
61.98827	19.3
63.02418	1.3
64.05288	1.3
65.00324	11.9
66.23386	1.1
67.76727	1.3
71.01387	1.2
71.21374	1.2
72.99301	1.7
75.00874	2.0
78.95901	2.7
83.01398	2.4
91.01902	37.9
92.02201	1.3
96.93039	1.3
97.02962	4.1
103.92040	1.3
108.02187	31.8
111.00887	5.2
112.98556	3.1
121.02942	3.7
123.00938	2.1
123.04535	100.0
124.01672	4.7
124.04869	2.6
147.04559	2.9
152.99594	2.1
159.04581	2.9
167.03561	1.3
172.05353	2.5
173.06068	4.0
181.06613	6.2
187.07602	1.4
196.03603	2.5
196.05289	22.8
197.06088	29.5
200.96222	2.3
203.40259	1.2
211.07639	33.6
212.07951	2.0
225.03749	1.6
228.04179	2.8
255.06570	2.8
287.07385	1.4
290.05682	1.5
304.07339	4.2
305.08060	6.2
318.09009	1.9
319.09821	7.0
320.10571	14.2
335.12802	13.6
363.12634	1.5
379.11926	5.9
423.15353	20.6
424.15839	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.0933
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	0.1
59.01377	19.4
60.01711	0.2
61.92179	0.0
61.98817	0.1
65.03965	0.1
67.01872	0.1
69.03448	0.1
71.01376	0.7
71.71798	0.1
72.99276	0.0
73.02962	0.1
77.03973	0.2
79.01909	0.0
82.00644	0.1
85.02967	0.2
89.03988	0.1
92.02682	0.1
93.03465	1.2
95.01385	0.4
95.05041	0.2
97.02959	0.1
100.41902	0.1
101.02456	0.1
101.03970	0.1
105.03468	1.0
108.02180	3.0
109.02480	0.1
119.01413	0.1
119.05023	0.1
120.01327	0.1
120.02180	1.1
120.02969	0.1
121.02968	1.7
123.04539	1.6
124.04870	0.1
127.04023	0.2
129.03496	0.1
131.01447	0.1
131.05026	0.1
132.02177	0.5
133.02974	2.8
134.03317	0.1
135.00882	0.1
139.04027	0.1
145.03026	0.1
147.00887	0.2
147.04521	0.4
148.01677	2.0
149.02457	2.0
150.02805	0.1
151.03996	0.1
159.00769	0.1
160.01611	0.1
161.02487	0.2
163.04015	0.1
169.05074	0.1
173.02455	0.1
175.00438	0.1
175.04025	1.0
176.01163	24.1
177.01929	100.0
178.02271	5.1
178.99913	0.2
189.01941	0.1
191.03516	0.3
201.02028	0.1
203.03595	0.1
215.03574	0.1
219.02946	0.7
219.06595	0.2
231.03008	0.1
259.06689	0.1
299.40015	0.1
303.05148	0.1
321.02460	0.1
321.06149	0.8
322.06647	0.1
363.07181	26.0
364.07529	2.7
364.12125	0.1
381.08282	1.6
382.08459	0.2
423.09290	26.8
424.09644	3.0
424.15564	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	423.1086
Annotation	Unknow
Peak:m/z	Relative Intensity
55.98028	0.8
59.01369	3.7
61.98835	5.4
63.02419	1.2
65.00327	12.6
65.35789	0.8
67.01882	1.9
67.31573	0.7
67.92645	0.8
68.99566	1.2
69.81022	5.8
71.01372	1.3
76.85779	0.9
78.95927	1.4
90.33271	0.8
91.01902	39.4
93.03505	1.0
95.01391	1.4
98.20542	1.8
101.10260	0.8
102.05676	1.1
108.02187	33.9
111.00899	3.5
112.98580	2.9
121.02959	2.8
123.00924	2.4
123.04539	100.0
124.01670	3.7
124.04882	3.0
135.04575	1.7
139.00391	0.9
147.04510	3.2
159.04564	3.0
163.00223	0.9
167.03506	1.0
172.05298	2.8
173.06094	4.4
174.01767	0.9
181.06610	8.3
183.04500	1.1
184.05264	1.1
187.07686	1.2
189.28708	1.0
196.05278	22.1
197.06097	30.2
197.58366	1.0
198.06458	1.4
199.04057	0.9
211.07649	40.5
212.07951	3.0
222.92653	0.9
228.04222	3.1
252.98845	1.1
255.06667	3.4
272.89359	1.0
290.05988	1.5
303.06686	1.3
304.07416	4.7
305.08139	8.5
319.09756	9.2
320.10504	11.5
321.10815	1.8
335.12842	13.9
336.13098	1.7
379.11908	5.5
418.95816	1.0
423.15280	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.1597
Annotation	Unknow
Peak:m/z	Relative Intensity
56.87328	1.0
57.03435	4.1
58.02971	6.1
59.01380	25.5
60.01709	2.0
61.98835	5.6
69.69353	5.0
69.69777	3.0
70.02981	1.8
71.01388	5.3
71.05028	1.5
73.02950	2.6
74.02480	13.9
80.91715	1.1
81.00288	1.0
82.03009	1.9
82.95424	2.6
85.02926	1.5
86.02500	5.8
86.06144	1.3
87.00895	1.5
87.05644	3.1
89.02465	1.7
90.00194	2.0
96.96034	1.9
97.04083	2.2
97.06643	5.5
98.06945	2.0
99.04544	3.5
99.05644	12.6
99.92587	3.4
100.04866	1.3
101.02444	3.8
101.07221	1.8
102.05611	1.8
107.06170	1.1
108.02226	1.1
109.04063	1.2
112.04050	2.0
113.02462	2.0
115.92063	2.0
116.92889	3.0
123.05638	1.9
127.00366	1.3
127.05121	2.9
128.03566	36.1
129.03889	1.6
131.04625	1.3
134.04756	1.1
135.05652	2.4
137.02455	1.9
137.09779	2.3
138.10112	1.7
141.05614	3.1
141.06738	4.8
142.05968	1.3
143.04649	49.5
144.04944	1.3
145.06183	1.1
146.04599	4.6
146.08247	6.0
147.08609	2.3
149.02428	1.3
153.06728	2.5
159.71233	1.5
160.00746	12.5
166.09868	1.5
167.04631	3.9
167.08247	1.4
176.01237	5.4
177.01994	24.7
177.03429	5.0
178.02286	2.4
179.04645	8.7
181.06207	1.3
185.05742	1.6
191.05508	2.2
210.08852	10.9
242.07840	1.3
254.07791	12.6
259.11890	9.1
260.12204	16.7
260.18069	1.2
261.12814	1.6
272.08908	18.1
277.12244	3.9
278.12561	5.8
279.11786	2.2
288.06534	8.1
289.06760	1.3
306.07660	100.0
307.08017	6.2
340.07571	1.4
343.03152	1.7
344.35635	1.3
363.07074	4.8
378.18457	3.0
404.14777	4.4
420.14642	1.2
422.17178	3.6
423.09229	5.1
423.18182	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	422.16
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	3.5
58.02975	6.1
59.01379	33.2
60.01699	1.5
61.98834	8.8
63.95864	0.8
64.21358	0.8
69.03445	0.9
70.02998	2.0
71.01390	7.9
71.05013	1.9
71.15551	2.5
73.02953	6.1
74.02476	15.2
78.95929	0.9
80.91697	2.1
80.96538	3.0
82.03003	2.0
82.95425	2.4
83.01392	2.4
84.95145	1.1
85.02959	1.9
86.02472	6.3
86.99104	1.6
87.00885	1.2
87.05647	4.6
89.02450	3.2
90.00196	1.5
93.03492	1.7
93.07545	1.0
96.96013	1.5
97.04077	1.0
97.06617	2.5
99.00848	1.2
99.04553	2.8
99.05649	12.4
99.92612	3.1
101.02478	4.7
101.07233	1.6
102.05613	1.4
107.06150	1.1
109.04102	2.4
112.04058	1.4
113.02514	2.3
116.01785	1.3
116.92866	1.8
119.05090	1.1
121.06607	1.0
123.05665	1.3
125.02497	1.6
127.00386	3.9
127.05141	2.2
128.03555	33.4
129.39241	1.1
130.03304	1.1
130.85211	0.9
131.04652	2.0
135.05656	2.6
137.09753	1.2
141.05682	1.1
141.06718	3.7
143.04637	48.0
145.06172	2.6
146.04626	4.0
146.08238	8.0
147.08582	2.8
149.02521	1.3
153.06712	2.6
160.00769	12.8
161.04585	1.8
166.09850	1.7
167.04665	3.6
167.08257	1.7
176.01187	3.0
177.01939	10.8
177.03430	4.9
178.02293	4.1
179.04634	9.1
180.06610	1.3
180.10252	1.0
184.10855	1.5
185.05731	1.0
187.09521	0.9
189.00438	3.1
191.05650	4.0
192.07878	1.0
197.05809	1.3
198.08646	0.9
201.11322	1.5
207.01515	1.9
210.08821	10.3
217.11906	1.2
218.12315	1.1
223.06271	1.0
242.07986	1.5
254.07823	11.3
259.11795	3.8
260.12262	8.1
261.13171	1.1
272.08859	19.2
277.12256	5.9
278.12601	9.6
279.11731	1.5
288.06607	8.0
302.13202	1.0
306.07660	100.0
307.07840	6.3
309.29971	0.9
340.07550	3.1
363.07373	1.5
378.18677	1.5
398.37500	0.9
404.15012	3.7
422.08133	4.1
422.19751	2.0
423.09390	4.1
423.18539	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	421.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	0.5
59.01378	100.0
60.01722	1.7
61.98827	1.9
67.29731	0.4
69.64713	0.4
71.01382	4.5
71.57288	0.5
71.57691	0.4
73.02964	1.8
74.99127	0.6
83.01418	1.4
85.02983	1.6
89.02467	2.5
99.00932	0.5
101.02449	4.0
113.02486	1.7
118.98123	1.1
119.03551	1.0
120.99677	2.9
121.02969	1.1
121.91118	0.4
133.01411	0.5
136.99158	0.6
143.03543	0.4
151.00446	1.2
161.04620	1.5
165.01938	0.7
179.98918	1.2
180.99684	1.2
187.00037	0.4
218.78989	0.4
286.35944	0.5
299.02020	0.4
300.02826	1.1
301.16608	2.1
314.99680	0.6
319.17615	9.9
320.18033	0.5
333.00613	2.6
361.18652	9.9
362.08377	0.4
362.19199	1.0
421.19543	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.1569
Annotation	Unknow
Peak:m/z	Relative Intensity
54.45781	1.1
57.03446	1.5
59.01377	82.0
60.01704	6.3
61.70253	1.7
61.98829	44.4
63.07396	1.2
65.15914	1.4
70.02956	1.7
71.01388	6.5
71.57771	2.2
72.00915	3.4
72.95205	1.7
72.99332	2.9
73.02950	6.1
73.04073	88.0
74.02483	7.2
75.00864	2.1
79.10255	1.3
79.95742	1.2
80.91706	1.7
83.01418	2.3
83.02518	6.4
84.00903	10.4
85.02951	3.1
85.04092	3.2
86.02502	1.6
87.05637	10.4
89.02454	5.5
89.43295	1.5
91.89388	1.2
93.03482	5.1
96.96020	3.6
97.04057	1.8
98.02438	1.5
99.02014	60.6
99.05643	2.3
101.02476	3.7
101.03574	14.5
108.08212	1.8
109.03001	1.4
112.00432	9.3
113.02490	2.2
113.03582	5.9
114.01981	2.1
115.00394	2.7
118.98090	2.7
119.05041	19.5
120.01246	1.5
120.05328	1.6
120.99667	5.2
127.00385	2.8
129.03067	2.0
129.10345	2.8
130.08765	2.9
133.01445	4.2
134.06177	2.2
136.07664	2.6
137.18648	1.4
140.07184	2.2
141.10368	3.5
143.11932	2.4
152.99602	1.6
153.10336	2.9
155.08257	1.6
156.06715	7.8
157.09819	3.4
161.02414	2.2
161.04573	1.4
162.05695	2.1
163.04080	9.8
163.11246	3.3
164.07108	1.7
165.04039	4.9
169.09827	5.7
171.11412	4.7
173.06111	4.1
175.07671	12.1
180.06668	29.2
181.06943	2.8
185.11859	2.7
186.12479	14.5
189.00462	3.3
193.09840	51.6
194.10173	3.3
196.10899	2.9
197.09338	25.5
198.09573	1.7
199.07616	2.9
200.14023	2.6
201.05476	7.9
205.09871	4.0
207.10330	3.8
210.12239	1.5
213.08807	2.2
214.11954	2.1
215.07149	1.7
221.09332	3.7
223.07126	6.7
226.12093	1.5
237.08716	2.8
241.08325	4.2
243.56813	1.5
244.12869	1.8
247.07162	2.4
263.06775	4.4
272.12436	4.2
275.09207	3.2
293.07718	15.4
303.13480	1.7
306.18256	2.6
307.11862	1.7
334.17645	9.7
350.17194	43.2
351.17661	3.4
359.11707	1.9
360.15741	3.5
376.15332	11.7
377.15359	1.5
378.16705	42.4
379.17136	5.4
387.16614	3.2
404.14569	14.3
405.14932	1.8
422.15686	100.0
423.16187	13.8
423.20944	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.0809
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31248	0.3
54.86524	0.3
59.01384	1.1
63.96214	0.7
69.03454	0.6
69.91610	2.3
70.72192	0.3
71.01389	6.2
73.02937	1.8
76.50452	0.3
78.98596	5.2
79.95741	8.0
80.02129	0.3
80.96524	56.6
81.03444	0.8
85.02959	3.0
87.00887	2.4
90.08469	0.3
94.98098	14.6
96.96038	0.9
97.02951	1.6
101.02431	1.9
106.98095	3.0
115.33914	0.4
121.02974	8.8
122.97594	3.2
125.02477	2.8
127.04040	0.7
128.73367	0.3
134.97603	3.5
136.99178	0.8
147.17717	0.4
148.99170	5.6
149.00334	0.5
152.98648	5.1
154.17819	0.4
164.75079	0.3
164.98648	9.9
206.99680	1.8
225.00739	11.9
226.01122	0.7
259.11816	0.4
299.04379	6.7
383.77258	0.4
402.50320	0.4
421.08090	100.0
422.08438	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	421.0811
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	1.4
59.80555	0.3
63.96225	0.6
69.03448	0.7
71.01013	0.6
71.01385	7.6
71.33499	0.7
73.02950	1.9
74.82024	0.3
78.98598	5.7
79.95743	9.9
80.00021	0.3
80.96523	69.1
81.03457	1.0
81.96484	0.4
83.01375	0.7
85.02959	3.3
87.00883	3.0
94.98094	17.4
96.96016	1.0
97.02946	1.6
99.00892	0.6
101.02451	2.1
104.05484	0.3
106.98100	3.1
113.02452	0.5
121.02965	9.5
122.03283	0.4
122.97597	3.5
125.02480	2.5
127.04021	1.2
129.47928	0.3
134.96642	0.6
134.97589	5.2
136.99162	1.7
148.99174	7.0
152.98660	6.0
157.04189	0.3
163.03831	0.4
164.98653	11.5
167.00194	0.5
188.98589	0.4
206.99695	2.6
209.69308	0.4
225.00754	12.9
226.01105	0.6
259.12045	0.4
299.04401	7.7
300.04651	0.5
421.08096	100.0
422.08435	11.6
440.42615	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1633
Annotation	Unknow
Peak:m/z	Relative Intensity
56.09934	3.4
57.00695	2.9
59.01379	51.7
61.16415	3.1
61.98824	7.4
66.80369	3.3
67.91796	2.8
69.75987	22.5
69.84695	3.4
71.01399	13.2
79.95736	4.3
80.96538	3.5
85.02969	3.3
89.02462	10.2
93.03481	6.8
96.96025	100.0
98.19947	5.2
101.02452	10.1
109.02985	2.9
113.02457	4.1
116.92855	5.3
118.98093	9.5
120.01276	3.4
120.99689	7.1
123.64487	3.3
125.02407	5.2
136.49107	4.0
136.50177	2.8
151.00385	7.6
162.05722	3.6
179.05547	3.5
206.04506	3.0
239.10594	3.2
241.00243	13.2
243.12254	3.4
286.61795	3.3
301.20154	6.6
317.03055	8.5
333.00839	6.0
335.04446	40.5
377.05518	36.3
421.03555	5.7
421.08087	9.2
421.16391	13.8
423.08295	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	421.1651
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	3.8
58.02752	0.3
58.02974	1.8
59.01382	2.8
59.28271	0.3
61.48345	0.3
69.61394	1.6
69.61823	1.3
70.02982	9.4
71.01383	1.0
71.03321	0.4
71.05023	11.4
72.97362	0.3
81.40198	0.3
87.05638	5.4
89.02443	0.4
96.38941	0.3
98.19964	0.6
99.04528	6.5
100.57922	0.3
101.02440	1.2
115.05151	1.1
116.07193	2.6
125.02484	0.5
128.03546	0.5
128.07164	0.5
129.05576	1.0
130.03351	8.5
132.49854	0.4
146.08250	79.5
147.06029	3.8
147.08597	2.9
195.17403	0.4
217.11940	17.5
218.12341	0.9
257.93750	0.3
259.11316	0.4
277.12268	100.0
278.12564	8.6
319.13199	0.7
421.16211	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.172
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	0.6
56.30942	0.4
57.03451	7.4
58.03753	0.4
59.01379	47.9
60.01710	0.8
61.91460	0.5
61.98826	3.2
65.62906	0.5
69.03450	0.9
69.84000	1.1
69.84409	2.1
70.02988	0.6
71.01385	7.4
71.05013	0.8
72.99315	0.6
73.02948	5.5
78.91904	0.6
78.95906	0.6
78.98605	2.5
79.05524	1.7
79.95753	3.9
80.91666	2.0
80.96523	24.0
81.03433	1.1
83.01389	0.8
83.05026	1.3
85.02959	3.1
87.00884	3.5
89.02448	4.8
93.03462	0.5
94.98100	6.1
95.01406	0.9
95.05009	2.1
96.96024	13.1
96.96655	0.9
96.96925	0.6
97.02942	1.3
97.06599	59.7
98.06922	1.7
99.00896	1.2
99.04527	15.0
101.02463	6.1
106.98066	1.3
107.05027	0.7
111.04547	0.6
113.02470	2.9
113.06026	0.8
113.92642	1.4
114.93346	0.5
115.03971	0.6
116.92857	0.6
117.01972	0.5
119.03497	1.8
119.08631	1.2
121.02991	4.2
122.97581	1.4
123.04534	9.8
124.01664	1.2
124.04861	0.7
125.02429	2.1
128.03532	0.5
134.97562	1.7
135.08223	0.6
136.99147	0.6
137.09740	24.5
138.10045	1.5
141.05595	45.7
142.05894	1.8
143.03534	0.6
146.08237	3.9
148.99133	2.3
149.02437	0.9
152.01146	2.1
152.98610	2.1
159.06612	1.3
161.04558	2.3
163.07600	1.1
164.04724	0.7
164.98654	4.0
177.00545	0.8
177.01958	13.3
178.02209	0.9
179.05618	3.7
179.06935	0.7
179.10789	2.0
181.08698	7.7
182.08952	0.6
185.08209	1.6
189.00507	0.9
193.01532	0.5
197.11870	4.3
199.09789	5.8
206.99657	1.3
208.03766	1.3
215.12793	2.3
216.99989	0.7
217.11900	0.9
223.06149	3.3
223.09795	0.6
225.00780	5.5
241.10812	6.9
242.11102	0.7
253.25664	0.5
257.58951	0.6
259.11835	35.0
260.12158	2.3
277.12268	4.5
299.04456	2.8
323.13486	8.0
324.13879	0.6
339.07220	2.3
359.06491	1.2
361.14670	0.7
361.18744	0.7
377.18079	0.7
403.16147	2.9
421.08124	35.9
421.17059	100.0
422.08270	4.2
422.17395	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	419.1559
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59622	0.9
55.01872	1.0
57.03448	86.0
57.09860	0.9
58.03765	2.2
59.01377	100.0
60.01724	1.1
61.98831	7.4
69.86804	3.7
69.87218	1.8
71.01384	34.7
71.05024	0.9
72.01714	1.5
73.02949	10.5
74.02492	1.0
78.95915	1.4
80.08704	0.9
81.03471	1.7
83.01379	5.0
85.02965	7.4
87.00887	4.6
89.02454	5.4
95.01401	2.4
95.05038	3.5
96.96024	15.6
96.96976	1.5
97.02972	2.2
99.00912	2.4
99.04527	76.6
100.04851	2.2
101.02450	29.6
109.02988	1.3
111.04533	2.6
113.02428	5.4
113.06126	1.3
119.03551	4.7
123.04521	2.2
125.02463	25.7
126.02784	1.4
132.04585	2.7
139.04089	2.2
141.05591	1.8
143.03557	2.8
151.07713	1.7
159.03012	1.3
160.04068	2.8
161.04619	5.0
168.02571	1.4
169.08716	1.0
176.01042	1.1
177.01945	13.5
179.07106	1.8
183.10353	1.6
197.08186	1.6
217.07076	1.8
221.06601	1.1
241.00214	10.8
255.11365	1.3
257.10327	6.2
259.08246	1.9
275.11331	10.7
281.09454	2.7
287.14209	2.1
299.10928	1.2
317.12201	1.6
331.12988	2.0
339.07254	3.9
359.17130	3.6
375.12091	2.9
375.17075	1.3
401.17737	1.4
419.02740	5.4
419.10648	1.9
419.15256	7.6
443.95905	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
56.49526	1.5
56.60077	2.2
59.01379	26.3
60.17093	1.6
60.99313	12.6
61.98832	9.7
69.59707	1.5
71.01357	1.9
71.28313	1.6
71.57658	1.9
78.95913	14.0
88.98813	100.0
92.02530	1.8
96.96005	2.2
103.92066	2.6
116.52548	1.7
122.89428	1.8
128.03580	2.0
134.03769	3.2
134.04745	33.2
154.06226	16.5
155.06572	3.0
165.12827	1.8
167.18739	1.5
203.66747	1.7
208.83827	1.5
265.05341	3.0
283.06329	10.4
283.37009	2.0
301.03275	2.0
328.45880	1.6
342.56757	3.0
383.15350	5.1
419.12885	17.1
419.18768	2.2
419.20483	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	420.2141
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79550	0.3
57.03430	0.3
58.02975	10.1
59.01381	4.5
61.98829	2.9
69.36236	3.2
71.01374	1.6
72.00922	2.9
73.02943	0.6
73.04077	8.2
82.06631	1.3
83.01359	0.5
85.02941	0.6
89.02457	0.8
91.05544	3.7
96.03292	0.5
96.96000	0.6
97.04101	0.9
98.02486	3.8
98.20683	0.7
101.02429	1.5
102.08462	0.3
108.08199	1.3
112.07705	1.2
113.02466	0.7
114.05634	0.7
115.05144	4.8
116.03553	0.9
118.06651	1.2
118.98079	0.3
126.09269	1.3
129.10359	14.8
130.10744	0.4
135.04579	0.6
139.08757	1.1
141.10384	1.7
143.11902	1.3
145.01477	0.7
147.04539	17.4
148.04869	0.6
149.04561	0.3
151.08794	1.8
152.07185	9.6
152.10733	0.4
153.05458	0.7
155.08270	1.5
164.07181	44.4
165.07523	2.2
168.11446	15.7
169.09814	1.7
169.11786	0.6
183.11491	0.4
185.12926	0.6
186.12491	33.8
187.12843	1.5
196.09787	1.4
210.12482	22.2
211.10867	3.3
211.12823	1.3
228.13553	2.7
233.16591	11.8
234.16855	0.9
249.89595	0.3
255.13506	0.4
259.14505	1.0
277.15549	5.5
278.15750	0.5
290.18732	9.5
291.19110	1.0
332.19757	3.6
334.01102	1.0
376.18784	100.0
377.19128	12.1
402.20288	0.8
420.21414	22.6
421.21506	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	421.0809
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01110	0.4
59.01383	5.2
62.51380	0.3
63.96235	0.7
64.97076	0.3
66.05785	0.3
69.03458	0.6
69.98643	1.7
70.07617	0.3
71.01380	7.2
72.99252	0.3
73.02943	2.9
77.68175	0.3
78.79292	0.3
78.98599	5.5
79.95736	7.0
80.68041	0.3
80.96523	57.6
81.03467	0.6
81.96432	0.4
85.02955	2.4
87.00878	2.8
89.02467	0.7
94.98096	14.4
95.01410	0.5
96.96021	1.8
96.96983	0.4
97.02964	1.5
97.06625	1.6
99.00885	1.1
99.04524	1.0
99.34627	0.3
101.02450	3.7
105.08472	0.3
106.98085	3.0
113.02449	0.7
115.92274	0.3
121.02967	10.8
122.03288	0.4
122.97594	5.9
125.02483	3.0
127.04031	1.0
134.97598	3.7
136.99156	1.1
137.09721	0.6
138.33987	0.3
141.05577	1.1
148.99158	5.9
152.97496	0.5
152.98657	6.5
161.04565	0.5
164.98650	9.4
165.00047	0.5
165.99023	0.3
177.01930	0.5
182.99695	2.9
185.08188	0.7
188.98601	0.7
191.05594	0.5
197.11816	0.5
206.99699	3.2
225.00740	17.0
226.00980	0.6
241.10823	0.5
243.01749	3.0
259.06067	0.3
259.11826	2.7
268.68448	0.4
272.96219	0.4
277.12231	0.6
299.04395	6.5
354.12125	0.4
421.08084	100.0
421.17197	3.7
422.08401	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	418.0991
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	0.4
61.98830	100.0
62.62797	0.2
69.37434	1.0
69.37861	1.2
83.27493	0.2
96.96040	0.6
98.20610	0.4
100.90658	0.2
101.48918	0.2
103.58274	0.2
122.81117	0.2
127.12002	0.2
149.02443	2.1
149.06143	0.8
176.20181	0.2
177.01949	1.0
180.98109	0.2
193.05070	12.9
194.05470	0.6
212.72047	0.2
223.55032	0.2
235.06276	0.4
241.00247	0.8
243.18745	0.2
302.22968	0.2
339.07092	0.3
355.10330	11.4
356.10709	1.3
419.03119	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.0993
Annotation	Unknow
Peak:m/z	Relative Intensity
54.45106	0.4
59.01379	29.6
60.01715	0.6
61.14161	0.4
61.98832	100.0
66.91133	0.5
70.71369	1.2
71.01395	2.6
73.02960	1.1
85.02965	1.6
95.01357	0.4
99.00856	0.5
101.02449	2.1
104.56305	0.4
113.02478	1.5
128.03590	0.7
161.04620	2.1
181.23093	0.4
225.59895	0.4
266.06998	1.2
269.10287	2.3
281.09470	2.1
299.10394	0.7
311.11478	1.2
358.15820	0.6
419.10889	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.1719
Annotation	Unknow
Peak:m/z	Relative Intensity
55.35683	0.6
59.01379	21.3
61.98830	100.0
69.26897	0.5
71.01399	0.5
73.02961	0.5
80.34091	0.6
81.03455	0.6
87.16498	0.5
89.02410	0.5
98.22535	0.5
104.64740	0.5
111.00932	0.5
174.01738	1.2
189.09262	2.0
197.15486	8.3
212.61398	0.6
277.14490	1.5
314.16849	0.6
419.15128	0.6
419.20535	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1116
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11956	1.7
57.03443	2.0
58.00578	2.0
59.01379	100.0
61.98827	14.1
63.33271	1.7
70.77893	2.7
70.78226	3.3
71.01381	43.1
72.99335	2.3
73.02950	13.5
73.95392	2.1
74.02455	3.2
74.99108	5.9
75.56592	1.7
83.01396	5.1
85.02961	7.8
87.00889	4.6
89.02455	57.9
92.60799	2.0
96.96015	4.4
99.00880	14.9
100.00423	2.0
101.02464	24.4
113.02444	8.6
118.98080	2.7
119.03510	8.8
120.99667	10.7
121.02966	4.1
127.00394	2.5
131.03511	8.1
132.02205	4.1
133.02928	3.2
134.03751	40.9
135.04564	11.3
136.99199	3.9
137.02522	2.8
143.03580	1.8
144.97890	1.8
149.04572	22.6
149.06091	5.7
151.00423	2.5
160.01669	25.9
161.02301	1.9
161.04556	4.9
173.00923	1.9
173.04596	2.7
174.03242	13.2
175.02736	2.7
175.04050	26.4
177.01927	2.4
178.02687	3.2
179.03505	6.5
179.05592	6.0
183.06630	2.6
189.00381	2.3
191.05563	7.8
192.04306	2.9
193.05066	47.0
194.05476	1.9
203.07146	51.7
204.07549	4.1
213.09154	4.2
215.03423	2.4
225.07611	2.6
356.74109	1.9
357.13477	3.6
371.11462	2.5
394.40237	2.1
401.12357	8.2
419.13766	10.7
419.22171	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	417.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
57.04074	0.2
59.01378	100.0
59.96800	0.2
60.01717	1.1
61.98831	6.4
67.68162	0.2
69.80833	0.3
70.81678	0.8
71.01384	1.1
73.02950	0.8
75.00876	0.7
83.01406	0.6
85.02958	0.5
87.00858	0.3
96.96025	0.5
99.00903	0.5
101.02475	0.4
112.98834	0.4
113.02460	0.3
114.39775	0.2
127.00390	0.7
142.99870	0.3
174.01749	0.9
189.00452	0.5
211.13354	0.3
243.16269	0.3
254.68408	0.2
302.86633	0.2
315.17953	0.2
338.03247	0.2
341.10727	0.2
357.26306	0.2
358.91870	0.2
367.13916	1.3
417.22516	0.4
417.28952	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	0.4
59.01381	100.0
60.01718	1.2
61.98831	5.5
71.01382	1.1
71.46999	0.9
73.02949	0.8
75.00907	0.5
78.75213	0.4
83.01405	0.5
88.98822	0.4
96.96014	0.9
99.00858	0.6
113.02489	0.6
121.03014	1.5
127.00394	0.6
135.50211	0.3
171.13950	0.5
184.40913	0.4
185.60223	0.3
189.00435	0.4
191.05678	0.5
200.14351	0.4
231.58673	0.3
255.15974	0.8
281.48782	0.4
339.25357	0.4
357.26468	4.1
358.26736	0.4
366.67603	0.4
417.08374	1.1
417.23331	0.7
417.28790	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.213
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91002	0.4
59.01377	100.0
60.01722	0.9
60.99305	2.4
61.98832	2.0
69.38589	5.0
71.01380	0.8
73.02971	0.9
73.71564	0.4
75.00886	1.1
88.98812	18.4
88.99365	0.9
94.41634	0.4
96.96025	1.2
103.92123	0.4
121.02944	0.7
122.48815	0.4
122.89462	0.6
127.00368	0.5
135.97597	0.5
147.04680	0.5
154.74271	0.4
165.12817	0.8
165.23816	0.4
189.00493	0.9
195.14307	0.4
228.10995	0.4
249.62650	0.4
265.05316	0.6
281.30438	0.5
283.06458	1.7
363.22339	0.5
381.13687	2.2
417.11490	2.0
417.16336	0.5
417.23846	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20657	0.2
59.01378	100.0
60.01726	1.3
61.98834	2.4
62.43760	0.2
69.38546	1.7
69.38965	0.4
71.01384	0.5
72.94727	0.2
73.02972	0.4
75.00893	0.3
81.03480	0.2
83.01363	0.3
83.05019	1.3
85.02947	0.2
96.96045	0.2
98.19930	0.3
99.00855	0.3
101.02473	0.4
101.31802	0.2
105.01954	0.3
111.08181	0.8
113.02457	0.3
125.09768	0.7
127.00436	0.3
154.06244	0.5
161.04591	0.2
162.34038	0.2
173.08159	0.9
183.49710	0.2
186.15297	0.2
187.09814	0.7
189.00407	0.3
217.10718	0.3
289.46820	0.2
417.21454	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.0992
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	0.2
59.01377	0.9
59.85154	0.2
61.98832	100.0
62.98548	0.2
65.18646	0.2
69.99281	1.0
95.76541	0.2
121.02973	0.3
122.03323	0.3
134.04817	0.2
138.72731	0.2
193.05077	0.7
194.05415	0.9
195.05598	0.6
196.05946	0.2
197.11807	0.2
247.09521	0.2
281.09433	0.2
297.17133	0.3
306.95068	0.2
385.14355	0.2
419.11026	0.3
419.19159	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1954
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	4.5
57.03443	8.7
59.01373	16.5
60.97532	3.0
61.98835	8.7
67.01884	2.5
68.99807	4.9
70.99616	18.6
71.01382	28.6
71.30562	2.2
72.97536	14.6
72.99310	6.5
73.01163	3.3
73.02971	2.7
74.99102	55.7
75.00880	30.1
78.95889	3.0
82.99593	2.4
83.01393	12.1
85.02964	10.4
86.99117	9.8
87.00877	6.1
88.97033	9.5
89.02448	5.2
99.00890	41.6
100.96416	4.1
100.97039	54.9
102.98610	63.6
104.23814	2.2
109.56280	1.8
111.00904	27.1
112.98821	70.4
113.02448	4.2
114.98612	83.9
115.00359	7.7
117.00255	2.1
117.01929	3.1
124.98827	3.6
126.98617	3.9
128.96550	49.4
129.01968	19.7
135.03023	75.9
135.04050	4.4
142.99881	64.6
144.00288	3.5
144.99664	2.3
145.01477	7.0
146.97615	2.6
152.99681	3.2
158.97577	3.0
163.00699	2.2
173.00929	100.0
174.01381	2.6
175.02655	1.9
188.98689	2.7
206.99698	61.7
251.56799	2.2
279.19727	5.0
299.16913	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	417.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	0.5
59.01377	100.0
60.01713	1.1
60.65385	0.3
61.92007	0.3
61.98825	4.1
70.17763	0.3
71.01398	0.7
71.05444	0.4
71.05758	0.5
73.02962	0.7
75.00873	0.6
79.91398	0.3
83.05088	0.3
83.41493	0.3
85.16262	0.3
88.98825	0.6
93.03501	0.9
96.96056	0.4
101.02437	0.4
110.01540	0.3
111.08157	1.7
121.03008	1.3
125.09738	2.1
127.00383	0.6
168.09081	0.3
173.08160	1.5
187.09828	1.2
188.49493	0.3
189.00406	0.6
191.05606	0.5
213.05733	0.6
261.13602	0.4
317.56000	0.3
357.26538	0.5
359.06641	0.8
417.12305	0.4
417.21255	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	417.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	1.0
57.03448	0.9
58.00597	1.4
59.01379	100.0
60.01719	1.6
61.98831	55.0
69.47025	4.1
71.01385	27.4
72.99316	1.3
73.02950	5.5
75.00885	1.7
75.93670	0.4
78.95892	0.5
81.03468	0.5
83.01398	2.9
85.02960	8.0
85.88833	0.4
87.00895	1.8
89.02452	26.2
90.02791	0.6
95.01411	1.7
97.03005	0.5
99.00902	1.8
101.02454	17.9
101.89709	0.4
105.07515	0.4
113.02467	11.9
118.98110	0.8
119.03519	10.9
121.02981	1.9
123.04550	0.5
127.00398	0.7
131.03542	1.3
143.03500	3.3
147.36353	0.4
149.02477	1.3
149.04591	1.1
159.03036	1.6
161.04573	22.1
162.04907	0.8
177.09242	5.7
179.05630	9.0
181.08716	0.7
189.00455	0.6
191.05676	1.1
193.05055	6.9
194.56873	0.5
195.10345	1.9
205.03598	0.6
341.11166	0.5
355.10263	6.7
357.15533	30.4
358.16019	2.7
371.13834	0.5
417.17514	3.4
417.22659	0.8
443.13022	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64714	1.1
57.03448	2.4
58.99607	1.6
59.01377	100.0
60.01700	2.0
60.56361	1.2
61.98822	5.8
63.13682	1.5
64.69986	1.1
65.56459	1.2
69.26046	1.4
69.63834	10.9
69.77602	1.4
71.01384	23.0
72.99300	1.5
73.02950	16.2
75.00870	8.5
80.45686	1.1
83.01385	6.2
85.02950	6.3
87.00888	2.2
89.02453	15.1
93.03496	2.6
95.01396	1.5
96.96011	1.8
98.19893	1.5
99.00906	3.8
101.02462	17.4
101.51179	1.2
102.98608	13.1
109.02974	4.8
113.02470	10.2
117.03461	1.2
118.98119	2.9
119.03503	6.7
119.52127	1.3
120.99706	6.7
121.02991	1.8
123.00915	2.8
125.02470	1.5
127.00413	5.5
130.08775	5.5
131.03500	1.7
131.09094	2.2
137.02464	13.0
139.04150	1.3
143.03514	1.4
145.02939	3.8
149.02498	1.8
149.04507	1.3
151.00375	19.1
151.03975	1.6
152.01163	1.8
152.04855	2.0
161.04550	4.0
165.01987	2.1
166.02733	50.8
167.03409	4.1
177.01962	4.5
179.05679	3.0
181.05078	83.4
182.05367	4.1
184.03831	1.6
189.00385	3.3
191.03978	1.1
191.05562	6.9
195.10304	1.4
205.08633	1.5
207.06650	2.1
255.12373	2.2
270.91586	1.2
275.28116	1.2
314.07916	1.3
322.33124	1.4
341.10898	3.1
387.10834	15.9
388.11121	1.7
402.13132	11.2
417.15533	31.3
417.21130	9.8
418.15817	5.2
418.23706	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	416.1928
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68779	0.4
59.01384	2.1
61.98830	5.7
69.68365	0.5
71.01385	1.0
71.70515	0.4
72.00907	11.1
72.78262	0.4
72.99336	0.9
74.02493	0.5
75.00874	4.7
77.88725	0.4
78.95924	0.9
85.02952	1.0
87.00886	0.5
89.02459	0.8
93.03466	0.5
96.00911	0.5
96.96046	0.6
96.97005	0.5
99.13695	0.4
101.02454	0.5
108.02142	0.5
115.00340	0.6
116.92877	0.5
119.05020	0.6
122.50255	0.5
129.02031	0.4
130.91556	0.4
139.04054	2.8
147.04536	34.5
148.04874	1.8
148.14894	0.4
164.07178	100.0
165.07506	4.8
187.10884	0.5
191.05621	15.6
195.06586	0.5
196.68826	0.5
267.10022	0.4
315.07468	0.4
331.06934	0.5
341.10828	0.7
353.08762	1.4
372.18771	0.6
416.21652	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1405
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42960	0.2
59.01380	17.4
61.38214	0.2
61.56647	0.3
61.98829	13.5
64.28145	0.2
71.01384	0.4
71.42879	0.3
84.36366	0.2
108.07836	0.3
117.87997	0.2
118.98100	0.4
121.02974	100.0
122.03311	3.4
138.03960	0.2
157.39050	0.3
167.01663	0.3
193.05060	0.7
194.05473	0.6
195.05653	0.7
283.69806	0.2
357.11859	1.0
396.23511	0.2
417.16721	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23488	1.8
59.01377	28.0
61.98828	4.4
68.99818	2.8
70.73920	6.2
71.01384	20.4
72.99306	28.2
75.00877	17.2
81.04112	1.8
87.00885	4.6
89.02458	21.7
93.03483	2.2
95.01413	3.0
99.00875	14.2
106.04214	2.3
108.02162	2.6
112.98810	11.1
115.00412	3.8
117.01949	20.8
124.01682	3.0
124.98846	5.3
135.03050	12.9
137.02451	2.8
142.99875	100.0
145.01552	1.8
173.00925	25.3
174.01700	28.7
174.54758	2.2
175.02408	2.1
191.18228	2.7
207.17545	2.8
209.19087	15.0
221.19171	4.9
223.20697	6.3
233.19064	6.7
235.16922	2.9
235.20674	3.9
237.18607	7.9
247.20700	2.7
249.18721	2.4
251.20143	12.6
261.18506	10.1
265.18048	14.9
279.19632	26.7
280.20096	3.7
291.19617	3.3
293.21082	3.8
295.19165	3.5
297.20728	4.2
305.17538	6.0
321.20749	2.3
323.18549	7.5
325.20328	4.5
337.20193	27.4
338.20590	3.5
356.72720	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	415.3066
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56183	0.8
59.01379	100.0
59.06052	0.8
60.01704	1.0
61.98816	0.8
63.70922	0.8
65.62048	0.9
70.71931	3.5
77.03197	0.8
81.12881	0.8
82.66724	0.9
83.23964	0.8
91.23096	0.7
97.21387	0.8
98.19998	1.2
120.78732	0.8
122.03663	0.7
145.59393	0.9
164.52840	0.8
245.98605	0.9
251.76396	1.1
271.02158	0.8
279.23251	2.3
323.20621	1.0
415.15738	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2086
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	1.1
58.00565	0.4
58.02975	16.9
59.01380	21.7
61.98828	0.5
65.93986	0.3
67.03011	0.4
70.03001	0.4
71.01385	9.2
72.99349	0.8
73.02948	2.6
73.04104	0.7
74.02485	1.0
79.47454	0.4
81.03432	0.4
82.02991	0.8
83.01398	0.7
83.06158	1.2
84.04566	2.9
85.02965	1.7
88.04037	0.7
89.02450	10.4
96.96061	0.6
97.04032	0.5
98.02496	0.6
98.06142	0.4
99.00901	3.6
101.02453	4.4
101.07212	4.3
107.02477	0.4
109.04084	5.5
112.19217	0.4
113.02470	2.4
115.00385	0.5
118.98139	0.5
119.03504	0.9
125.02502	0.4
125.03618	3.1
125.07226	27.8
126.07573	0.7
127.05154	43.9
128.03561	12.3
128.05511	1.1
130.08765	0.5
131.03531	1.9
143.08267	4.6
145.06212	63.3
146.06541	1.5
149.04593	7.6
161.04625	1.2
168.64610	0.3
169.04900	0.3
169.06198	9.2
170.04620	0.7
170.06360	0.4
186.12395	0.5
187.07251	22.8
188.07632	0.8
191.05589	1.6
193.05090	1.0
209.11876	0.9
210.55843	0.4
221.06772	0.5
225.14946	2.4
227.12898	3.1
229.61037	0.4
251.07716	0.6
281.19812	0.8
283.11862	1.6
299.20758	0.7
300.19376	0.6
319.16681	0.5
337.17801	0.8
353.20740	0.8
355.18759	5.4
356.19223	0.9
379.18796	0.6
397.19772	7.9
398.19827	0.7
415.16348	3.5
415.20865	100.0
416.21201	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	415.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23488	1.8
59.01377	28.0
61.98828	4.4
68.99818	2.8
70.73920	6.2
71.01384	20.4
72.99306	28.2
75.00877	17.2
81.04112	1.8
87.00885	4.6
89.02458	21.7
93.03483	2.2
95.01413	3.0
99.00875	14.2
106.04214	2.3
108.02162	2.6
112.98810	11.1
115.00412	3.8
117.01949	20.8
124.01682	3.0
124.98846	5.3
135.03050	12.9
137.02451	2.8
142.99875	100.0
145.01552	1.8
173.00925	25.3
174.01700	28.7
174.54758	2.2
175.02408	2.1
191.18228	2.7
207.17545	2.8
209.19087	15.0
221.19171	4.9
223.20697	6.3
233.19064	6.7
235.16922	2.9
235.20674	3.9
237.18607	7.9
247.20700	2.7
249.18721	2.4
251.20143	12.6
261.18506	10.1
265.18048	14.9
279.19632	26.7
280.20096	3.7
291.19617	3.3
293.21082	3.8
295.19165	3.5
297.20728	4.2
305.17538	6.0
321.20749	2.3
323.18549	7.5
325.20328	4.5
337.20193	27.4
338.20590	3.5
356.72720	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	415.1245
Annotation	Unknow
Peak:m/z	Relative Intensity
56.50778	0.1
59.01376	4.8
66.32649	0.1
69.60532	1.5
71.01437	0.2
73.29287	0.2
98.20602	0.3
105.07113	1.5
107.05058	1.3
123.07483	0.2
131.05067	0.8
147.04582	0.2
149.02464	0.6
149.06104	6.8
150.06404	0.4
175.04062	1.3
177.05588	0.2
193.05078	100.0
193.31531	0.2
194.05405	5.6
235.06091	0.4
271.83740	0.2
276.65552	0.2
387.62790	0.2
397.20755	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.161
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.7
57.03454	0.9
58.00595	2.3
58.02706	0.7
58.02976	8.8
58.28955	0.6
58.29238	0.5
59.01377	75.3
60.01720	0.8
61.10748	0.5
61.98815	0.7
66.01559	0.5
69.03459	1.5
71.01384	58.9
71.57231	0.8
72.01729	0.7
72.99302	2.9
73.02947	17.2
73.04087	1.8
76.96850	0.5
80.96524	1.1
83.01385	1.8
83.06178	0.7
84.04558	1.8
85.02958	5.2
87.00875	1.2
88.04044	1.8
89.02450	100.0
90.02794	1.6
95.01411	1.4
96.96007	1.2
97.02950	1.5
99.00889	29.4
100.81940	0.6
101.02453	36.6
101.07215	2.1
109.04090	2.5
113.01720	1.0
113.02472	11.7
115.00391	1.8
115.04008	1.3
118.98109	2.2
119.03506	7.3
125.02458	4.2
125.03542	1.0
125.06307	0.9
125.07225	15.4
127.00341	0.6
127.05149	26.3
128.03551	7.4
128.05507	0.8
129.10356	1.0
130.08749	1.0
131.03519	18.3
132.03035	1.6
143.03491	2.7
143.08263	3.1
145.06207	37.4
146.06635	0.8
149.04573	63.5
150.04919	1.5
152.13245	0.5
161.04605	3.1
169.06184	6.0
169.09859	0.7
179.05681	3.1
187.07265	14.7
188.07773	0.6
191.05615	14.8
192.05916	0.9
193.05045	2.0
209.11792	0.9
221.06697	3.5
224.17659	1.6
225.14990	1.7
227.12854	1.6
251.07666	3.6
265.90845	0.6
275.07849	0.8
276.14230	0.6
281.19910	1.6
293.08640	0.9
299.20895	2.4
300.19272	2.2
319.16602	0.6
337.17825	0.8
355.18573	2.8
397.19873	4.2
415.15842	10.1
415.20883	62.8
416.16043	1.5
416.21106	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	415.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.4
59.01377	100.0
60.01705	1.3
61.80647	0.3
61.98838	1.7
71.01382	3.7
71.19637	1.0
72.99316	0.4
73.02942	1.5
75.03477	0.3
83.01412	0.9
85.02956	2.0
87.00899	0.6
89.02456	1.5
90.98601	0.4
95.01390	0.5
96.96012	1.6
98.95628	0.5
99.00908	0.7
99.82693	0.3
101.02462	2.6
108.02176	0.4
113.02452	1.6
119.03543	0.6
120.99731	0.3
127.00387	1.1
133.02991	1.3
143.03577	0.3
145.02977	0.3
161.04532	1.4
177.01988	1.0
189.00497	0.9
191.05637	0.4
207.02998	0.4
222.05341	0.4
237.07733	0.5
415.15079	1.4
415.21313	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1817
Annotation	Dichotomoside E
Peak:m/z	Relative Intensity
57.03440	1.6
58.00610	0.7
59.01380	37.2
61.98823	3.3
66.55590	0.7
69.44177	7.4
71.01386	10.3
73.02968	1.9
79.95733	0.7
80.02690	4.0
83.01380	1.0
85.02956	3.2
87.00916	0.9
89.02454	11.5
92.12747	0.8
95.01373	0.8
96.96021	7.6
99.04534	2.2
101.02467	7.1
109.06643	1.1
113.02472	6.4
119.03526	2.5
121.06599	2.7
143.03563	0.9
161.04558	4.0
179.05612	2.6
189.12863	12.1
193.08670	1.5
205.08864	0.8
207.13934	6.4
208.14220	0.8
209.11867	4.5
221.08197	1.2
231.13905	4.0
233.11877	3.3
251.12880	100.0
252.13257	6.9
275.12909	2.7
301.22668	0.8
413.09134	1.3
413.14307	8.7
413.25974	4.1
414.15106	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	0.6
57.03444	1.0
58.00586	0.3
59.01379	100.0
60.01717	1.0
60.15756	0.2
69.49834	1.8
69.50224	0.5
71.01388	10.0
72.99312	0.5
73.02951	2.9
75.00888	0.2
81.03905	0.2
83.01390	1.5
85.02956	5.1
87.00923	0.5
89.02448	1.6
95.01412	0.7
97.03011	0.3
99.00899	1.1
101.02458	6.8
101.03129	0.4
113.02467	3.9
118.82059	0.3
119.03508	0.3
123.08186	0.3
137.09769	0.2
144.80223	0.2
159.03047	0.6
161.04581	3.8
167.96693	0.2
179.05685	0.2
189.12843	0.2
209.15439	1.9
251.12967	0.3
280.78543	0.2
319.58929	0.2
353.19702	2.8
354.20117	0.5
371.20758	12.6
372.21179	1.1
413.22144	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.6
55.63551	0.3
57.03460	0.8
59.01379	100.0
60.01713	1.2
61.98827	1.1
66.12971	0.2
69.03462	0.4
71.01387	8.6
71.01785	0.6
71.05037	1.1
72.99314	0.5
73.02947	3.0
74.16619	0.3
79.95711	1.2
80.96516	0.6
83.01402	0.7
85.02956	3.9
87.00896	0.6
89.02451	2.9
93.64753	0.3
95.01405	0.6
96.96021	36.5
97.02967	0.4
99.00896	1.4
99.04539	1.1
101.02451	4.8
102.98611	0.7
113.02464	3.8
113.62142	0.3
118.98057	0.3
119.03483	0.9
125.02485	0.3
137.09734	4.3
138.10094	0.2
139.11293	4.3
143.03520	0.5
159.03047	0.7
161.04579	4.6
162.04823	0.4
179.05629	0.6
189.12869	0.4
191.14394	0.7
207.13928	1.0
209.15479	9.4
210.15857	0.7
241.00171	1.0
251.12880	3.1
259.01315	1.0
285.02698	0.6
353.19662	0.5
371.20743	4.0
372.20901	0.7
413.14850	40.6
414.15198	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	413.2909
Annotation	Unknow
Peak:m/z	Relative Intensity
58.07929	0.5
59.01380	100.0
60.01721	0.9
64.09822	0.6
74.56302	0.5
98.20780	1.1
112.81119	0.5
114.73455	0.7
167.99382	0.6
206.68745	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2909
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02089	0.4
56.95186	0.4
59.01380	100.0
60.01710	0.8
63.22911	0.3
66.90388	0.4
71.44707	1.0
98.20586	0.4
110.55489	0.4
125.53390	0.4
130.73753	0.4
286.73706	0.4
359.92068	0.5
361.90686	0.4
396.11383	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.2111
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98266	0.1
59.01375	0.9
60.41846	0.1
61.98832	100.0
62.98534	0.2
71.71297	0.2
81.70842	0.1
82.95425	0.3
84.00932	0.9
84.95124	0.1
87.74500	0.1
99.08187	0.2
120.79945	0.1
121.02951	0.2
159.74173	0.1
171.10326	0.2
183.13951	0.2
211.13383	1.3
212.13702	0.2
229.14474	0.9
329.23346	4.7
330.23743	0.4
371.24463	0.2
414.21091	12.5
415.21286	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	413.1453
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.3
57.03447	100.0
58.03762	1.2
59.01376	76.9
69.25523	5.3
69.25950	5.5
71.01385	16.0
72.99300	1.1
73.02950	6.6
81.03499	1.3
83.01387	5.0
85.02975	8.4
95.01393	1.8
99.00868	4.1
99.04528	74.2
100.04852	1.6
101.02450	29.9
101.03117	1.7
113.02457	6.4
123.31752	0.9
125.02457	23.4
125.99564	1.0
135.01256	0.9
143.03561	1.2
145.36525	0.9
155.18610	0.9
161.04568	7.9
168.11752	0.8
269.10297	24.1
270.10629	2.2
311.11398	2.8
327.65198	1.0
327.97986	1.0
413.14465	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	413.1453
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.1
57.03448	99.4
58.03771	1.7
58.80435	0.8
59.01379	94.5
61.98830	3.1
69.03470	1.2
71.01382	13.5
71.70697	0.9
71.71088	1.3
72.99305	0.9
73.02947	5.4
79.95726	1.1
80.73690	0.9
81.03473	2.0
83.01387	2.1
85.02955	7.4
87.00915	1.0
91.82011	0.9
95.01375	1.3
96.96021	27.0
99.00898	3.4
99.04530	100.0
100.04858	2.9
101.02452	27.1
102.02888	1.0
113.02461	4.4
120.99668	2.1
121.02953	1.1
125.02467	40.3
126.02762	0.9
133.83586	0.8
135.04504	1.0
137.83539	1.0
139.02144	1.8
143.03510	1.9
145.06168	1.2
161.04585	5.6
187.13396	0.9
193.04991	1.4
205.03407	1.0
207.29227	0.9
208.07426	1.1
209.04518	1.1
269.10291	16.2
311.11392	3.4
327.07581	13.5
365.27487	1.0
369.08539	11.5
413.07672	2.4
413.14786	7.6
413.23346	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1818
Annotation	Dichotomoside E
Peak:m/z	Relative Intensity
55.01866	0.6
57.03437	0.7
57.76077	0.3
59.01376	6.0
61.98829	0.8
69.03458	1.1
69.92746	0.7
69.93161	1.4
71.01382	4.1
73.02952	2.3
75.00878	0.4
80.02687	17.2
81.03029	0.6
81.03459	0.9
83.01389	1.1
85.02962	4.6
87.00884	17.8
88.25398	0.3
89.02445	0.9
91.05556	0.4
93.03468	1.0
95.01395	0.7
95.05048	0.9
97.02961	1.7
98.20644	0.5
99.00900	3.4
99.04533	6.6
101.02446	2.4
107.05045	1.0
107.08663	0.5
109.06606	1.5
113.02454	1.5
117.01959	4.8
119.03472	0.4
120.05811	1.7
121.06609	5.6
122.06946	0.4
125.02455	3.3
129.01988	0.9
141.01965	1.8
143.03578	0.4
147.31082	0.4
152.04768	1.0
159.03004	1.0
161.04575	13.5
161.09727	0.5
162.04919	0.6
163.14943	0.4
171.11795	1.5
172.87968	0.3
177.04034	0.8
179.05621	30.9
180.05917	1.0
184.12120	0.3
189.12862	46.9
190.13203	3.1
195.57286	0.3
207.13905	16.9
207.15869	0.8
208.14218	1.3
209.11856	0.8
233.11816	9.1
234.12213	1.0
251.12872	100.0
252.13196	7.5
261.10184	0.4
413.18176	57.7
414.18478	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	412.1951
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	1.2
61.98829	100.0
62.98508	0.2
71.22037	0.5
73.10793	0.1
81.99920	0.2
82.95418	0.3
84.00903	1.0
84.95153	0.4
96.96023	0.8
97.06597	0.2
123.63138	0.2
171.10321	0.4
211.13409	1.1
217.88466	0.1
221.11880	0.3
229.14394	0.9
230.21184	0.2
276.10263	0.2
327.21771	5.1
328.22083	0.5
412.19525	11.4
413.14694	0.7
413.19958	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1089
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39061	0.3
55.37582	0.3
57.03447	2.5
59.01382	1.9
61.98839	0.3
68.99833	0.7
69.03461	0.6
70.89905	0.7
70.90273	0.3
71.01379	0.7
71.05019	0.9
73.02956	0.3
74.89935	0.3
79.36033	0.3
79.95753	0.3
80.96514	2.0
81.03458	12.1
82.03787	0.4
82.69375	0.3
83.01378	2.8
93.03481	0.8
94.98085	0.5
95.01400	0.6
95.05038	5.8
96.96023	0.8
97.02953	3.8
99.04525	10.4
101.02468	0.6
105.03487	0.5
107.05006	0.3
109.02969	0.8
111.04521	2.0
113.02489	0.3
117.85928	0.3
121.02966	0.5
123.04533	5.4
124.01666	0.3
125.02459	40.0
126.02812	1.2
127.87296	0.3
135.04539	0.7
137.02454	7.5
139.04027	3.6
139.07668	0.4
144.00908	0.3
147.04506	0.3
147.97113	0.3
149.02419	0.8
149.05962	0.3
151.04033	1.1
163.03946	0.4
164.01195	0.7
164.98651	0.4
165.01945	0.6
167.03506	100.0
168.03838	4.0
176.01071	0.4
177.01971	2.0
179.03525	2.9
185.39136	0.3
191.03606	0.7
191.05591	0.6
197.04558	27.4
198.04829	1.6
209.04576	2.4
225.00621	0.3
227.05588	0.7
233.04373	0.7
251.05595	28.0
252.05928	1.4
263.05637	0.9
269.06622	0.7
281.06662	7.5
282.06952	0.5
311.07767	0.8
327.07626	0.5
329.08755	3.6
335.07748	0.9
339.07193	0.7
395.09787	0.5
413.11020	9.4
414.11032	1.0
414.23413	0.6
437.37729	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.109
Annotation	Asperuloside
Peak:m/z	Relative Intensity
56.71999	0.4
57.03436	1.3
59.01377	11.2
61.75182	0.4
61.98832	8.7
69.03477	0.5
71.01398	3.2
71.05018	1.0
71.68974	0.7
73.02952	1.3
79.05536	0.5
79.40643	0.4
79.95747	0.4
80.02746	0.4
80.96545	1.0
81.03463	14.7
81.03941	0.9
83.01384	3.8
83.05022	2.0
84.02160	0.4
85.02951	1.9
87.00885	19.3
88.00433	0.7
88.98805	2.4
89.02457	1.3
93.03467	1.6
93.46931	0.4
95.01402	1.0
95.05037	8.7
96.96037	3.0
97.02953	5.5
98.02589	0.4
99.04528	11.7
101.02456	2.1
103.05576	0.4
105.03468	0.8
107.05029	1.0
108.02179	0.6
109.02940	1.3
111.00815	0.4
111.04528	1.1
113.02457	1.0
113.06105	0.6
119.03513	0.7
119.05026	1.7
121.02956	1.7
121.06614	1.0
123.00882	0.5
123.04543	15.5
124.01629	0.5
125.02464	12.5
126.02813	0.5
127.00386	0.6
127.04021	1.3
127.05025	0.5
130.08766	0.5
133.03003	0.7
135.04550	1.8
137.02472	3.7
137.06110	1.2
138.03201	0.4
139.04036	5.9
139.07671	0.8
141.05580	0.7
147.04561	1.5
149.02469	1.7
149.06076	0.6
151.04037	2.1
161.02422	0.8
161.06081	0.5
163.04037	4.4
163.07701	0.5
164.01152	2.0
165.01965	1.9
165.05589	3.6
166.02774	0.6
167.03513	100.0
168.03841	5.2
176.01175	5.7
177.01794	0.6
177.05586	1.2
179.03519	8.5
179.07126	0.6
181.05075	1.9
186.99368	0.4
188.04903	0.8
189.05617	0.6
189.09235	0.8
191.03525	14.5
191.05597	4.2
191.07195	0.7
191.10806	0.5
192.03841	1.0
193.05150	0.6
197.04564	3.9
203.03555	0.7
209.04549	17.3
210.04959	1.0
221.04572	0.9
233.04541	2.0
233.08214	3.2
234.08640	0.6
239.05580	3.1
251.05597	27.1
252.05981	1.7
263.05597	1.7
269.06641	10.0
270.07025	0.7
275.05646	1.6
281.06744	1.3
293.06650	3.5
311.07678	0.5
323.07672	1.1
323.13593	0.7
327.07654	1.0
329.08731	7.9
330.09354	0.5
353.08853	4.4
354.09238	0.7
367.16199	0.8
379.46545	0.5
393.05289	0.5
395.13434	1.8
413.10904	24.6
413.15131	7.3
414.10886	3.3
414.16068	0.6
414.23563	1.6
417.06100	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2751
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55108	0.2
55.01867	0.3
56.61975	0.2
59.01377	100.0
60.01712	1.0
62.77405	0.2
63.38966	0.2
63.91636	0.2
64.40329	0.2
68.40937	0.2
69.79430	1.4
71.01410	0.4
75.46994	0.2
83.01395	0.4
87.00905	0.2
98.19946	0.4
99.00922	0.5
119.34724	0.2
124.87634	0.2
127.00386	0.4
142.99879	0.6
148.14914	0.2
154.99899	1.6
173.00922	1.7
174.01729	0.5
202.38680	0.2
210.76505	0.2
237.22336	0.3
250.47650	0.3
257.51849	0.2
277.21826	0.3
279.23184	0.2
281.25262	0.2
292.11816	0.2
307.19232	0.7
337.20374	0.6
379.21396	0.8
381.22958	0.6
411.23831	3.8
412.24020	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2752
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07497	0.6
59.01379	100.0
60.01709	1.3
63.32893	0.6
71.58171	0.8
71.95277	0.6
81.66028	0.5
118.36884	0.7
210.22195	0.7
369.38458	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.1826
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	7.9
61.98829	100.0
71.01392	2.3
71.72046	0.7
73.02946	0.8
74.80646	0.6
78.95946	0.6
86.75512	0.5
89.02468	1.3
96.96022	1.5
99.92587	0.9
101.02464	1.3
113.02452	1.3
115.57308	0.6
115.92091	1.2
119.03491	0.7
127.22835	0.5
136.29677	0.6
141.12834	1.3
185.17825	0.6
187.13402	4.3
232.83119	0.5
314.20602	0.7
349.18674	15.8
350.19254	1.2
412.26581	0.7
413.14557	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.239
Annotation	Conyzanol A
Peak:m/z	Relative Intensity
55.01881	1.3
59.01378	100.0
60.01703	1.3
61.98839	1.1
68.71162	0.4
71.01378	2.9
71.18665	0.9
72.99322	1.4
78.95924	0.5
83.01400	2.8
85.02962	0.6
87.00874	0.7
96.96053	0.6
96.99322	0.5
99.00881	1.4
108.02206	0.4
110.00076	0.4
111.00910	0.6
112.98837	0.7
122.03762	0.9
124.98814	3.1
127.00381	1.1
135.20219	0.4
138.03217	0.9
142.99886	5.4
145.46492	0.4
151.00259	0.5
154.99890	15.3
156.00224	0.7
172.01875	0.4
173.00919	17.5
174.01692	2.8
205.85310	0.5
237.22282	1.6
261.22269	0.4
263.23779	0.8
265.21637	0.9
265.25345	2.0
277.21579	0.8
279.19641	0.4
279.23233	1.1
281.24640	0.4
291.23215	0.7
293.21268	1.5
293.24869	1.3
300.41342	0.4
307.19150	1.5
307.22531	0.5
337.20251	4.9
337.23776	0.7
338.20724	0.7
349.23734	1.3
379.21289	1.4
381.22775	6.1
411.23862	29.9
412.24164	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	411.2386
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46184	1.0
57.03445	2.6
58.00587	2.9
59.01376	29.2
61.98828	7.5
69.03452	1.1
70.78046	3.4
71.01383	34.3
71.99682	1.0
72.99305	1.8
73.02953	13.2
75.00871	5.8
80.23025	0.9
83.01390	2.4
83.05032	2.1
84.02164	1.2
85.02957	9.1
87.00877	1.1
89.02454	7.8
89.65494	0.9
95.01389	3.7
97.02901	1.4
97.06592	2.2
98.20023	1.1
101.02461	10.2
113.02458	21.0
116.92848	1.7
123.08157	1.1
125.02467	1.5
127.07687	1.4
131.08276	6.6
139.07655	2.3
141.09084	1.0
161.04543	2.4
173.09265	1.8
177.09238	1.5
181.65244	1.2
186.11913	1.0
226.66367	1.2
227.18083	2.4
245.19038	9.3
249.18578	100.0
250.18965	10.4
263.17480	1.7
263.20148	24.2
264.20490	2.3
273.18576	6.7
274.19067	1.4
291.19608	20.7
292.20178	2.3
303.19681	6.7
304.20096	1.2
311.25079	1.3
321.20731	5.2
411.32196	1.8
422.63071	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	3.6
57.03455	3.4
58.00590	1.2
59.01381	26.0
60.86299	0.4
61.98538	0.6
61.98833	6.0
69.03440	1.6
71.01386	47.5
71.55555	0.6
72.00894	1.4
72.99318	2.7
73.02953	23.4
74.02438	0.5
74.99096	0.5
75.00886	2.5
78.95953	0.5
81.03457	0.8
83.01392	9.9
85.02959	24.7
86.00101	1.2
87.00890	5.1
87.04514	0.7
89.02451	11.6
95.01408	2.8
96.96956	0.5
97.02954	2.8
99.00275	0.8
99.00889	10.2
99.04530	0.9
100.00415	1.0
101.02457	46.6
102.02792	0.8
103.92146	0.5
111.00897	2.9
113.02469	18.6
114.02812	0.5
114.08527	0.4
115.04002	1.5
115.07646	0.6
117.09232	1.3
117.65311	0.5
118.05137	3.2
119.03522	2.0
119.04969	0.5
123.04524	0.7
125.02454	3.8
127.04061	0.6
128.49664	0.4
129.01930	1.6
131.03523	2.4
135.04588	0.5
136.99094	0.7
141.01965	0.4
143.03542	2.2
144.03012	1.9
149.04619	2.2
159.03023	4.5
161.04578	17.3
162.04904	0.7
187.09845	0.5
191.05643	2.0
205.03516	0.8
233.06642	2.4
279.14484	62.2
280.14856	3.8
293.08829	1.4
323.13565	0.8
375.06824	1.6
411.18732	100.0
412.19098	10.8
412.24597	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.5
57.03450	1.1
58.00589	0.7
59.01378	100.0
60.01710	1.4
61.98831	9.2
69.03446	1.1
70.14335	0.8
70.14706	1.9
71.01385	22.5
71.05005	0.6
72.01739	0.5
72.97539	0.5
72.99303	1.4
73.02951	21.8
73.99598	0.4
74.99117	0.9
75.00874	0.6
79.95757	0.4
82.44375	0.5
82.99609	1.2
83.01389	5.6
85.02950	4.4
86.74666	0.4
87.00873	2.2
88.98830	0.4
89.02454	7.5
92.86548	0.4
95.01416	0.9
96.96022	24.5
97.02980	0.7
99.00900	1.1
101.02457	20.3
102.02789	0.7
107.05042	0.7
109.06600	1.1
113.02457	8.9
114.02802	0.5
118.36932	0.4
119.03522	2.3
120.99672	0.9
121.06607	0.9
123.04557	0.7
125.00764	0.5
125.02437	1.0
127.00407	0.8
131.03506	1.5
137.09743	7.8
138.10039	0.5
143.03505	1.9
147.04539	0.7
149.04549	1.5
161.04579	3.6
161.10020	1.5
179.05640	0.5
189.00369	0.5
189.09218	9.0
189.12819	1.4
191.05556	0.6
205.12392	0.8
225.60503	0.4
231.10599	0.4
231.15988	1.1
241.00212	0.7
249.11119	0.8
251.11078	0.5
259.01263	0.5
260.16629	0.5
291.16061	2.8
325.14691	0.6
330.24527	0.4
369.19052	0.7
410.43567	0.4
411.13153	28.3
412.13254	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2366
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	1.2
59.01381	8.7
59.16553	1.0
61.98832	4.2
69.60817	7.9
78.91866	1.3
78.95932	4.6
80.91691	41.8
83.05042	1.3
84.02184	1.2
98.19900	1.8
99.08186	3.1
99.92600	6.5
115.92093	4.0
125.09760	2.0
127.11284	1.6
128.03511	1.6
139.11290	2.9
165.12852	17.9
171.10309	7.3
183.13866	3.7
193.08459	15.7
193.12326	1.6
194.08781	1.4
200.61218	1.1
203.10510	1.5
205.12030	2.4
211.13402	23.0
212.13899	1.1
219.10016	2.2
221.11584	10.5
229.14406	12.5
230.14636	1.3
231.10016	8.3
233.11589	100.0
234.11980	5.8
249.11137	13.1
250.11482	1.5
251.12929	24.1
271.01804	1.1
294.05530	2.5
294.84775	1.1
324.68826	1.2
329.23334	47.8
330.23694	3.7
351.21530	90.2
352.21909	7.1
404.63184	1.1
411.17923	1.8
411.22617	2.6
412.15546	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2388
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.9
57.03433	2.2
57.53640	0.6
58.00583	2.4
59.01376	24.8
61.93124	0.6
61.98823	2.6
64.58150	0.5
67.15621	0.5
69.03451	1.3
70.63132	1.3
70.63494	1.0
71.01383	33.1
72.99297	2.3
73.02950	11.1
75.00879	5.8
83.01388	2.1
83.05038	2.2
84.02193	1.0
85.02950	9.2
87.00875	1.0
88.91987	0.6
88.98793	0.6
89.02450	8.6
95.01369	3.0
95.05030	1.0
96.96016	1.7
97.02975	1.1
97.06593	1.5
99.00848	0.6
99.92593	1.2
101.02451	10.5
109.06613	0.7
109.78483	0.6
111.08128	0.7
113.02465	22.9
113.06090	1.0
115.00385	0.6
118.89996	0.7
119.03508	2.1
120.89688	0.6
125.02472	0.9
125.06093	1.1
127.07610	1.5
131.07387	0.9
131.08287	10.8
139.07671	1.7
147.03015	0.7
157.84956	0.7
161.04608	2.0
173.09309	2.1
177.16542	0.7
205.19691	0.6
227.18054	2.2
231.17482	1.3
233.19113	0.8
241.16026	0.8
243.17604	0.9
245.19096	10.9
249.18585	100.0
250.18958	9.5
259.17065	0.8
263.20142	21.2
264.20468	2.3
265.44235	0.7
273.18616	6.9
275.20206	0.9
291.19635	22.6
292.19977	2.6
303.19601	7.6
321.20761	3.7
411.32477	4.0
412.09363	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1272
Annotation	t(6)a
Peak:m/z	Relative Intensity
59.01371	1.6
61.98825	1.3
68.53398	0.4
70.96388	1.1
71.01390	1.2
72.00912	29.0
73.02934	0.6
74.02476	17.8
76.29434	0.4
82.37445	0.4
83.01352	0.4
85.02968	0.9
85.27345	0.4
87.00881	0.6
89.02475	0.7
93.03456	0.5
99.00899	1.0
100.00418	42.3
100.04051	3.3
102.19422	0.4
116.92859	0.6
118.05121	100.0
119.05519	2.2
134.04729	1.5
135.04512	0.5
136.99101	0.6
144.03043	42.5
145.03342	0.8
160.02676	4.1
191.05672	1.8
217.37032	0.4
306.07700	0.6
311.34863	0.4
375.06857	0.9
411.12881	1.5
411.18478	0.6
412.12439	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.13
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02389	2.5
55.01857	4.7
57.03443	11.2
58.00589	4.5
59.01377	100.0
60.01717	2.3
61.98829	41.5
65.03965	4.3
67.01894	2.3
69.03453	9.0
71.01382	63.3
71.05029	5.0
71.70428	2.9
72.99317	5.6
73.02948	6.5
74.99103	6.9
78.95952	1.5
81.03461	47.1
83.01389	4.3
84.02178	4.0
85.02956	18.9
87.00883	5.6
88.41206	1.6
89.02454	57.6
89.03980	3.2
91.01943	3.7
91.05514	3.9
93.02148	1.7
93.03471	9.3
95.01398	13.1
95.05037	10.1
97.02962	13.0
99.00870	3.7
99.04522	52.6
101.02447	35.5
105.03476	2.0
106.04290	1.7
107.05038	12.8
108.02174	2.8
109.02962	6.9
113.02463	22.4
117.03458	2.1
117.07136	3.1
119.03506	24.3
119.05035	7.3
119.52744	1.8
121.02970	12.0
121.06572	3.2
123.04539	29.7
125.02450	6.6
127.00396	3.0
133.02940	2.2
133.06607	3.5
134.03726	2.5
135.04544	11.1
136.99153	7.2
139.03979	2.0
141.07114	2.0
143.03525	5.4
143.04985	2.2
145.02960	3.1
145.06593	10.4
146.03778	2.5
147.04521	4.1
149.02455	4.0
149.06078	7.6
157.06580	2.4
159.04517	3.3
159.08183	7.5
161.00990	2.0
161.04587	6.0
161.06100	6.6
163.04016	4.0
163.07629	4.0
169.06593	7.5
171.04565	2.8
179.05640	1.9
185.06078	1.8
185.22568	1.8
187.07646	22.3
189.05588	5.9
191.05627	2.6
203.07167	4.9
203.15276	1.9
205.05103	4.6
205.08734	19.2
206.05875	2.2
207.06644	14.4
231.01305	1.8
231.06604	2.1
278.88861	1.6
351.19772	2.0
411.13110	8.6
411.17682	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	410.1304
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	0.3
59.01377	31.2
60.01709	2.0
61.98829	100.0
70.00236	1.5
70.29248	0.2
71.01386	3.9
73.02949	3.5
74.99068	0.3
76.11875	0.2
78.95882	0.2
79.03336	0.2
83.01370	1.3
85.02956	0.5
87.00883	0.4
89.02462	1.5
96.96026	1.9
99.00887	0.4
101.02443	4.4
113.02460	1.7
119.03485	0.8
125.02431	0.2
131.03505	0.5
135.04527	0.2
135.56122	0.2
145.02922	0.3
149.04506	0.9
161.04547	1.4
162.04831	0.3
189.00285	0.2
191.05511	0.3
204.10945	0.3
221.06384	0.4
283.53897	0.3
308.17847	0.5
350.18594	0.8
385.23492	0.3
410.15176	0.4
411.13074	2.3
428.81174	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
55.81771	0.4
57.03447	48.1
58.03792	1.0
59.01387	3.0
61.98830	9.6
68.53911	0.4
71.01379	1.3
71.56408	0.5
72.99320	0.4
73.02962	1.0
73.61610	0.3
76.30175	0.4
78.95930	0.5
85.02946	0.6
89.02450	1.9
93.03465	1.6
97.06612	0.6
99.00900	1.1
99.04599	0.5
101.02442	1.4
109.02969	2.5
118.02161	0.4
118.05126	0.8
119.05020	1.5
121.02972	34.6
122.03317	0.8
126.09256	7.0
127.00394	0.7
135.04578	0.5
137.02516	0.4
143.01675	0.5
144.03076	0.5
149.04503	0.5
163.04005	1.0
179.07153	6.3
189.00438	0.9
191.05605	1.2
248.12915	100.0
249.13268	7.9
280.06876	0.4
285.73047	0.4
375.07077	0.6
410.06665	0.5
410.18182	4.5
411.18420	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.1952
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.4
61.98830	100.0
62.98541	0.2
71.02745	0.2
71.29819	0.5
78.95911	0.3
79.31320	0.2
97.34816	0.2
99.92615	0.4
115.92080	0.4
117.92783	0.2
118.03511	0.2
130.38503	0.2
135.03084	0.3
152.99539	0.2
154.06296	0.4
174.32219	0.2
177.73291	0.2
251.05739	0.2
293.21274	0.6
315.75446	0.2
319.22791	0.3
326.73700	0.2
339.64926	0.2
348.97891	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2362
Annotation	1-Palmitoyl Lysophosphatidic Acid
Peak:m/z	Relative Intensity
55.96665	0.2
62.96388	0.2
69.88394	0.9
69.88815	0.5
78.95909	62.7
96.88143	0.2
96.96976	5.1
100.23952	0.2
150.98019	1.5
152.99603	100.0
153.99940	1.8
171.00652	2.1
255.23296	1.8
277.21780	0.3
409.23618	19.9
410.24005	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2208
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	2.9
57.82631	1.1
59.01381	13.5
61.98825	5.3
69.03468	2.4
71.01386	5.4
71.72153	1.4
71.72522	1.7
73.02951	1.7
78.91898	1.4
78.95921	5.2
79.95749	8.1
80.91686	61.6
81.03474	1.3
83.05032	2.9
84.02215	1.9
85.02959	6.9
95.05080	2.3
95.95215	1.2
96.96021	22.0
97.02964	4.8
97.06608	3.7
99.92597	12.4
101.02486	1.4
101.13052	1.1
115.00451	1.7
115.04022	1.4
115.92085	6.4
116.92870	2.3
125.09685	1.7
133.01445	1.5
134.03754	3.8
135.04497	2.0
137.09746	3.7
139.11230	1.7
141.09302	1.4
152.99582	2.5
155.10806	1.6
163.11298	3.4
165.12863	15.2
167.14374	1.3
171.00655	3.4
171.10278	13.3
178.02702	4.7
179.03529	2.3
179.10648	1.3
183.13924	2.0
193.08475	19.0
193.12236	3.0
197.08075	1.1
200.21191	1.4
205.12119	2.6
207.10020	17.0
209.11752	1.8
211.13406	19.6
212.13809	1.4
215.10484	2.0
219.10013	3.4
221.11670	10.0
229.14494	14.0
231.10049	10.2
233.11594	90.7
234.12091	6.5
243.09956	2.9
247.09592	1.3
248.10454	2.0
249.11194	12.5
251.12529	23.5
261.11072	21.6
291.19800	2.2
293.10333	1.6
294.05511	4.2
313.17801	4.8
327.21762	52.3
328.21994	5.9
329.23270	3.9
331.18936	12.1
341.50034	1.3
349.19946	100.0
350.20404	11.6
374.11926	3.4
391.21295	1.3
393.18909	2.1
409.13599	1.2
409.18817	24.4
410.13922	3.4
410.19440	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04698	0.2
59.01101	0.4
59.01378	3.7
59.32290	0.2
59.37363	0.2
61.98833	1.5
67.99430	0.2
69.87831	0.9
69.88245	0.6
71.01382	3.3
73.02954	0.6
73.48706	0.2
78.95909	1.6
83.01402	0.2
85.02959	0.4
89.02437	0.5
90.64293	0.2
93.03466	0.5
96.96034	0.2
97.06588	0.2
98.20676	0.2
101.02431	0.4
113.02444	0.3
115.00405	1.3
115.03985	0.5
117.00280	0.2
121.02969	100.0
122.03307	3.7
122.99261	0.3
127.00453	0.3
133.01476	1.1
133.02933	1.2
134.03755	3.8
135.04561	1.5
137.02429	1.0
152.99625	0.3
159.11833	0.8
177.01947	1.7
178.02754	2.7
179.03537	1.4
181.48123	0.2
191.05664	0.8
198.79491	0.2
203.10739	0.4
238.95462	0.3
247.09840	1.1
275.09167	1.1
293.10379	3.2
295.01862	0.3
301.42847	0.3
329.18964	0.2
355.21100	0.3
380.43893	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
54.64883	0.2
55.01876	0.2
57.03443	0.5
59.01378	100.0
60.01717	1.0
61.85973	0.3
61.98830	21.2
66.53429	0.2
71.01386	5.5
71.71884	0.2
72.99340	0.3
73.02955	2.8
74.99115	0.5
75.00852	0.3
80.43123	0.3
83.01404	0.8
85.02959	2.2
87.00909	0.8
89.02467	0.9
90.98605	0.8
95.01389	0.4
96.96015	1.3
99.00902	0.8
99.04504	0.3
101.02456	4.0
108.26643	0.3
113.02441	2.5
115.00388	0.4
118.94844	0.3
125.02476	0.4
127.00382	0.6
133.01497	0.3
134.03821	0.7
136.99149	0.2
141.99051	0.3
143.03606	0.3
145.03046	0.3
145.12338	0.4
159.03055	0.4
159.11880	0.3
161.04576	2.0
173.06195	0.5
174.59508	0.2
179.05688	0.7
185.09723	0.3
185.53903	0.2
187.07677	0.5
187.11496	0.3
187.13263	0.4
191.05663	1.0
203.07217	1.0
203.10872	1.0
223.81540	0.3
231.10301	0.4
247.09523	1.3
255.11430	0.3
275.09445	0.4
289.16678	0.9
293.10431	0.6
307.17709	2.9
321.21228	1.1
349.18680	3.7
350.19193	0.3
409.11383	0.7
409.22916	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	409.1142
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	9.6
57.03450	7.2
58.00595	0.7
59.01379	18.8
61.98830	0.6
66.15595	0.2
66.95683	0.3
67.01897	0.5
68.99825	0.4
69.03455	0.9
71.01386	100.0
72.01727	2.1
72.99316	1.8
73.02952	35.3
74.03292	0.5
74.99081	0.3
75.00877	2.4
81.03465	0.3
83.01393	11.6
84.02182	0.8
85.02960	49.3
86.03297	0.9
87.00896	2.9
89.02457	4.7
91.01884	0.4
95.01402	9.1
97.02953	2.2
97.06577	0.4
99.00892	14.0
99.04534	0.4
100.01244	0.3
101.02457	51.7
102.02800	1.0
106.78928	0.3
108.02183	2.3
108.48863	0.2
113.02466	42.7
114.02812	1.4
115.04008	0.3
117.03496	0.6
119.01439	0.4
125.02454	2.2
129.01944	2.2
131.03520	0.3
132.02159	1.6
135.00920	1.1
139.00388	0.3
143.03522	2.4
147.04544	11.3
148.01686	2.8
148.04900	0.4
149.02382	0.7
159.03026	7.2
159.10007	0.2
160.05215	0.3
161.04573	19.1
162.04990	0.5
163.00426	0.6
173.06090	26.7
174.06404	1.8
177.01949	2.1
179.05618	0.4
187.04019	13.8
188.04794	6.3
189.05110	0.3
191.03528	1.1
191.05649	0.6
203.07152	71.7
204.07477	4.6
205.03577	0.4
217.04997	1.4
275.09085	0.3
409.11398	9.2
409.19330	0.5
410.11505	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2205
Annotation	1-(9Z-hexadecenoyl)-glycero-3-phosphate
Peak:m/z	Relative Intensity
53.27588	0.2
70.69289	0.4
70.69653	0.8
73.68490	0.3
78.95908	100.0
96.96972	9.1
96.97618	0.5
98.19930	0.3
114.54415	0.4
150.98009	1.5
152.99600	96.2
153.99933	1.7
171.00653	74.2
172.01033	1.4
407.22079	4.4
408.22284	0.4
421.22513	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.1797
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86637	0.6
59.01382	2.7
61.98831	100.0
68.99569	1.0
70.59413	0.6
70.59759	2.5
74.91112	0.5
112.98586	1.5
116.92876	1.0
123.13857	0.6
140.89304	0.6
150.00294	0.8
156.43080	0.7
179.99419	0.6
208.43109	0.6
208.91037	0.7
224.42755	0.6
409.23874	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	3.0
57.03453	4.7
58.00586	3.0
59.01378	73.5
61.98830	51.2
61.99159	1.7
63.99250	1.2
65.10162	1.0
69.03466	9.2
71.01384	100.0
71.70212	1.2
72.01732	1.3
72.99319	5.0
73.02944	23.8
74.99107	1.1
75.00890	3.8
77.62686	1.0
78.95917	2.8
81.03481	5.5
83.01389	8.2
83.05031	2.3
84.02168	1.4
85.02959	22.4
87.00882	3.8
88.04041	1.8
89.02451	89.5
90.02795	3.0
93.03479	1.6
95.01401	6.7
95.05054	1.6
95.95290	0.9
96.96030	4.1
96.96967	3.3
97.02956	13.3
99.00890	33.6
99.04543	3.6
101.02451	32.1
108.98170	1.0
109.02953	2.2
111.00898	2.1
111.04556	2.1
113.02458	14.4
113.06073	1.2
115.04027	7.8
116.92878	3.1
119.03539	5.3
119.05039	3.3
121.02989	1.3
123.04613	1.5
124.01711	0.9
125.02457	29.0
127.04015	5.1
128.03554	1.3
131.03516	11.5
139.03951	1.2
143.03513	4.7
149.04567	14.5
161.04593	6.3
173.08176	1.2
185.02191	7.1
191.05620	11.0
209.04686	0.9
217.07112	5.0
233.06647	31.3
234.07011	1.9
275.11404	4.7
293.08755	8.0
344.10629	0.9
347.07474	1.1
347.17175	1.3
349.11404	27.0
350.11658	2.5
407.15430	9.6
408.04233	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1501
Annotation	Pestalospirane B
Peak:m/z	Relative Intensity
50.13378	0.3
50.35979	0.3
52.45322	0.4
59.01371	2.1
61.98832	3.1
63.92701	0.3
66.29869	0.3
68.92677	0.3
71.01379	2.8
71.58127	0.5
74.17030	0.3
78.95910	0.6
99.00889	0.9
101.02454	0.4
103.58069	0.4
115.00379	2.4
130.04189	0.5
145.02975	0.6
146.03749	1.6
160.01674	10.0
161.02333	1.5
165.33516	0.4
174.03232	15.9
175.03723	0.9
182.72966	0.4
194.68205	0.4
203.07147	100.0
204.07491	6.9
291.19553	0.6
307.19067	1.0
309.20752	2.0
319.22873	0.9
355.16110	0.4
407.07462	0.5
407.08536	0.5
407.14990	9.3
407.20349	0.9
408.15417	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1561
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32150	0.7
57.03448	80.9
58.03794	1.7
59.01379	100.0
60.01737	1.1
61.98831	21.1
70.98908	2.1
71.01386	20.3
71.05036	2.8
72.99319	1.4
73.02952	6.9
80.91689	1.0
82.95405	1.0
83.01392	3.5
83.05061	1.4
85.02967	8.2
87.00909	1.0
89.02455	5.7
90.70498	0.6
95.01414	2.5
99.00934	3.2
99.04531	77.4
100.04881	2.0
101.02454	28.2
101.06105	7.5
108.61430	0.7
113.02467	9.9
115.00446	0.8
116.05106	1.9
119.03542	2.8
119.05073	3.0
122.15411	0.9
123.04538	0.8
125.02466	24.5
132.06700	0.7
143.03532	3.1
158.06186	1.9
159.02985	1.4
161.04568	9.3
163.04041	0.8
171.31975	0.7
175.02567	0.8
175.56448	0.7
179.05688	1.5
183.10455	0.9
185.02196	8.4
209.04669	1.5
263.11340	13.5
264.11707	0.9
305.12439	7.8
323.13541	3.1
339.31094	0.8
344.10886	0.8
345.15619	2.3
347.17206	1.0
407.15335	7.6
407.20297	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2446
Annotation	Unknow
Peak:m/z	Relative Intensity
54.09005	0.4
59.01377	2.0
61.98828	100.0
71.65174	0.9
74.27817	0.4
102.05614	0.4
134.03708	0.5
221.99930	0.4
312.77438	0.4
407.20578	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1348
Annotation	Torachrysone 8-O-beta-D-glucoside
Peak:m/z	Relative Intensity
59.01376	12.9
61.98833	4.1
68.75447	0.3
68.99809	1.0
69.91570	1.6
71.01389	3.4
72.99305	1.2
73.02946	5.1
74.52538	0.4
75.00872	0.7
78.91888	1.0
78.95902	0.5
79.95740	0.5
83.01404	1.1
86.97720	0.3
87.00941	0.3
96.96028	0.5
98.20551	0.6
101.02456	2.4
113.02432	0.5
121.02988	0.6
125.02459	0.5
127.00291	0.3
130.04227	0.5
134.03786	0.4
145.02985	0.8
145.06285	1.0
146.03708	0.8
158.03731	1.0
160.01666	5.3
161.02391	0.6
171.04521	0.4
173.02455	5.7
173.09760	1.0
174.03238	11.2
175.03671	0.5
182.03729	3.9
187.07645	2.9
189.09192	0.7
199.11269	0.6
202.06383	0.8
203.07138	100.0
204.07478	7.5
205.08681	2.4
206.02193	3.1
215.07077	0.8
217.08665	3.0
223.56004	0.4
225.09163	5.3
226.09615	0.5
243.06400	0.4
243.10275	0.7
245.08170	4.7
246.08385	0.5
257.08023	0.6
269.08246	0.7
275.09015	0.5
382.22153	0.4
407.13394	9.7
408.13678	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.0991
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43403	0.2
50.99149	0.2
57.03436	0.4
59.01376	4.3
59.88509	0.3
61.73944	0.2
61.98832	100.0
62.78133	0.2
63.99269	0.6
66.32898	0.2
69.03466	0.4
70.25839	1.3
71.01392	4.0
72.99336	0.3
73.02950	0.8
77.18542	0.3
83.01389	0.3
84.68812	0.2
85.02964	1.1
89.02457	3.5
95.01412	0.4
97.02978	0.4
99.00869	1.6
101.02460	1.8
108.58063	0.3
111.00931	0.3
113.02492	0.7
116.92877	0.6
119.05058	0.5
120.99618	0.2
121.02945	0.3
123.04539	0.3
123.11869	0.2
125.02469	1.2
131.03511	0.3
149.04572	0.6
161.04579	0.7
165.01978	0.8
181.05070	0.6
181.73318	0.3
185.02263	0.6
189.00430	0.3
191.05719	0.6
203.28122	0.3
233.06717	0.9
252.40359	0.3
273.99460	0.3
293.08786	0.3
343.10355	1.8
349.11606	1.1
407.00748	0.3
407.15305	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.0993
Annotation	Unknow
Peak:m/z	Relative Intensity
58.19079	0.2
59.01381	0.7
59.75282	0.2
61.98832	100.0
62.98556	0.3
63.99258	0.4
69.84511	1.2
83.01424	0.2
85.08102	0.2
96.96055	0.3
109.42485	0.2
181.05101	0.2
182.05489	0.2
183.05614	0.2
185.02188	0.3
202.05894	0.2
213.20978	0.2
406.17667	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.1655
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02972	15.1
59.01377	8.1
61.98823	4.9
63.99247	1.1
66.03482	1.6
70.02972	1.0
71.01371	2.7
71.71291	0.8
72.00896	1.1
73.02962	1.0
74.02474	29.7
81.04554	1.3
82.03005	3.9
84.04553	1.8
85.02958	1.5
85.04076	0.7
86.02473	11.4
86.06116	2.4
87.05638	5.7
88.04043	1.5
89.02431	1.7
96.04541	0.9
97.04084	3.6
99.00867	0.9
99.05650	27.7
100.06039	0.9
101.02441	2.2
101.07230	5.7
102.05626	6.5
106.06623	1.4
107.06147	1.6
109.04086	5.6
109.06589	1.2
109.07702	1.8
111.05651	2.5
112.04051	4.1
113.02439	1.4
113.03557	1.0
123.05650	2.1
124.07704	1.3
125.03574	3.6
126.01920	0.8
127.05120	4.8
128.03554	75.3
129.03877	3.3
130.04080	0.9
132.14365	1.0
133.06946	15.5
135.05664	8.6
137.07216	2.0
138.05643	1.4
139.05055	0.8
139.98705	0.9
141.06693	3.3
143.04636	100.0
143.26921	0.9
144.05009	4.2
145.05148	1.3
145.06215	3.2
146.04605	10.8
148.04094	1.1
153.06697	8.2
155.08363	1.1
161.04565	1.0
162.00259	1.9
166.09891	5.1
167.04631	4.8
167.08286	7.2
170.03307	2.0
171.04115	2.7
179.03099	1.2
179.04631	20.8
181.06232	1.7
181.81630	0.9
184.10931	1.2
185.05672	3.2
192.07765	2.5
197.05638	3.8
199.57520	1.0
201.07549	1.0
202.64832	0.8
210.08849	22.5
211.09158	1.7
212.10699	0.8
213.11032	1.8
220.10144	1.0
226.07001	1.2
228.09822	1.3
231.12048	1.0
254.07803	49.6
255.08124	1.9
255.11151	0.9
256.11661	3.8
272.08847	55.6
273.09216	4.8
274.09174	0.9
274.12473	1.5
277.12256	7.5
290.06290	1.1
306.07571	1.6
307.08069	1.7
308.07330	12.6
344.09482	1.1
388.15509	12.0
389.18140	1.4
406.09976	4.8
406.16476	83.4
406.20679	3.9
407.18695	7.2
415.83148	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.099
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20179	0.2
51.23521	0.2
54.07120	0.2
57.03438	0.4
57.87214	0.2
59.01382	4.9
61.98831	100.0
71.01392	1.9
71.60168	0.3
71.65724	0.2
72.94849	0.2
73.02963	0.4
74.02459	0.2
76.54464	0.2
78.91896	0.3
78.93172	0.2
80.91672	0.5
85.02956	0.6
87.00912	0.3
87.11025	0.2
88.04048	0.3
89.02437	1.0
96.96062	0.5
99.04516	0.5
101.02464	0.9
103.61127	0.2
109.02970	0.5
113.02489	0.7
115.00406	0.6
115.42512	0.2
117.39992	0.2
119.03552	0.4
119.05038	2.5
121.02990	0.5
125.02368	0.2
135.04538	0.2
137.06090	1.2
143.04735	0.3
145.05020	0.3
145.06590	0.6
161.04568	0.3
163.04079	0.9
175.02531	0.8
176.02815	0.3
181.05084	6.2
181.06607	0.4
182.05568	0.3
185.02214	4.0
189.00496	0.3
189.05647	0.8
190.06000	0.5
209.04666	0.3
296.39786	0.2
300.15857	0.4
308.07568	0.4
343.10342	4.2
344.10785	0.6
347.07370	0.5
347.17139	0.3
368.16611	0.2
406.17856	0.6
407.19510	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	2.0
59.01380	47.7
61.98831	8.5
71.01378	2.3
73.02949	3.7
83.01392	0.5
83.05052	0.7
85.02953	1.7
87.00877	2.1
89.02459	1.5
95.05045	1.0
97.02975	0.6
99.00877	0.6
101.02451	2.0
113.02453	1.2
120.99654	1.8
128.03549	0.5
128.49245	0.5
137.09712	0.8
139.11316	30.9
140.11652	1.2
151.07733	0.6
161.04544	1.8
163.11322	1.1
165.09224	0.9
169.08728	3.1
179.05638	1.7
181.12357	18.0
182.12686	1.0
183.10284	38.9
184.10603	2.2
199.13414	7.8
207.10229	0.6
225.09262	1.0
225.11331	14.5
226.11578	0.6
229.70441	0.7
243.12369	47.7
244.12657	3.2
255.10858	0.5
345.15399	0.7
387.16620	2.0
405.17624	100.0
406.17969	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	405.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	1.7
59.01379	30.5
69.91228	3.3
73.02949	1.4
76.24544	0.4
87.00880	1.0
87.67446	0.5
90.16299	0.5
98.20617	0.9
137.09702	0.7
139.11310	27.6
140.11652	1.3
161.04553	0.9
163.11307	1.1
165.09178	0.6
179.05656	1.7
181.12370	11.9
183.10286	37.5
184.10629	1.8
199.13443	8.1
200.13762	0.6
225.11324	11.0
226.11720	0.5
243.12366	53.2
244.12691	3.8
387.16492	2.2
396.55661	0.6
400.87381	0.5
405.17664	100.0
406.17984	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	405.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95772	0.3
53.52822	0.3
56.21876	0.3
57.03437	0.9
57.67775	0.3
59.01374	21.4
69.60319	2.6
71.01394	0.6
72.35896	0.3
73.02947	1.6
74.61266	0.3
77.29285	0.3
85.02950	0.5
89.02437	0.6
95.47281	0.3
101.02450	0.6
113.02448	1.0
125.45128	0.3
129.05566	0.5
133.69818	0.3
135.80284	0.4
137.42947	0.3
139.11310	14.5
140.11630	0.9
149.57179	0.4
158.88773	0.3
163.11223	0.8
165.09193	0.5
181.12352	9.9
182.12668	1.0
183.10274	18.4
184.10597	1.2
197.07845	0.3
199.13420	6.6
200.13710	0.5
207.10245	0.5
225.11330	6.6
226.11584	0.5
243.12357	100.0
244.12686	6.7
249.11345	1.1
249.50342	0.3
285.13403	2.5
309.90912	0.3
313.35483	0.4
345.15500	0.4
345.36414	0.4
358.31839	0.3
359.99036	0.4
405.17667	9.0
406.18088	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	100.0
58.00599	1.2
58.03780	1.4
59.01378	84.3
60.01727	0.8
61.98830	21.6
63.41272	0.4
63.99255	0.8
69.03461	0.7
69.26513	5.6
71.01385	26.5
72.99306	1.7
73.02954	11.8
78.39552	0.5
79.05549	0.9
81.03480	2.0
83.01392	3.8
83.05038	0.7
85.02959	3.8
87.00871	1.2
88.66774	0.4
89.02452	21.0
90.02815	0.4
95.01408	1.2
96.96023	3.0
99.00890	0.6
99.04527	71.4
100.04887	2.5
101.02451	35.4
102.02802	0.7
107.48964	0.5
113.02462	10.0
113.06133	1.2
119.03510	7.0
120.01285	0.7
123.04527	4.8
125.02460	21.6
126.02837	1.2
129.09258	0.9
131.03543	2.0
139.11336	0.7
141.05621	1.1
143.03534	3.7
149.04576	1.8
153.05600	0.8
155.07135	1.0
160.87044	0.5
161.04578	5.6
165.12869	0.9
179.05656	5.7
183.10257	0.7
193.15988	1.0
201.11414	0.5
209.11858	0.8
221.06644	0.9
222.11426	0.5
236.43619	0.5
237.15033	1.4
243.12440	1.9
245.08145	0.5
255.16005	0.6
261.13492	2.8
262.48041	0.7
264.64978	0.4
273.17108	1.3
303.14606	1.5
305.61041	0.5
319.19620	0.8
340.97174	0.6
343.17914	0.6
363.07626	1.1
405.08826	2.1
405.17374	2.0
405.21533	15.5
406.21912	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	404.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
57.11075	0.3
57.98961	0.4
59.01390	0.6
59.65933	0.3
60.69834	0.3
61.98830	100.0
71.09640	1.0
87.69301	0.3
116.66557	0.4
268.52817	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1048
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	100.0
62.98539	0.2
62.99253	0.1
68.40459	0.1
70.48068	0.1
71.16008	0.1
81.05901	0.1
82.89646	0.1
106.57333	0.1
110.99523	0.1
180.90599	0.1
222.71791	0.1
235.48424	0.1
404.10590	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1198
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.0
61.98829	100.0
98.20703	0.3
116.92885	0.5
161.04546	0.2
179.07169	0.7
181.12370	0.3
183.10268	0.8
243.12328	0.7
284.44757	0.2
401.33524	0.2
405.17529	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1496
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02969	7.5
59.01371	3.5
61.98830	24.9
66.03497	0.9
69.69485	4.5
71.01378	1.9
72.00900	2.0
74.02475	19.9
78.52953	0.7
81.04590	0.7
82.02995	2.3
84.04543	0.8
86.02480	7.4
86.06111	0.8
86.99094	1.2
87.05636	5.5
88.04015	0.9
89.02441	1.4
90.00187	2.1
97.04099	2.0
99.05647	16.9
101.02414	1.0
101.07227	2.5
102.05630	1.4
107.06158	1.2
109.04083	2.4
109.24898	0.8
111.05650	1.1
112.04038	2.3
113.03547	1.0
119.62066	0.8
123.05645	1.9
124.04045	1.1
125.03554	1.1
127.05162	3.5
128.03554	41.0
129.03880	1.6
131.04655	0.9
135.05614	3.8
137.07184	0.8
141.06709	3.9
143.04637	61.2
144.04904	1.6
145.06239	2.1
146.04582	5.1
149.07265	0.9
153.06680	4.3
155.08356	1.5
160.00748	18.5
166.09857	2.3
167.04639	3.6
167.08292	2.4
170.03380	1.4
172.26749	0.7
177.01973	1.2
177.03400	6.0
178.03822	0.9
179.04636	11.1
180.07878	0.9
181.06195	1.6
185.05701	2.7
192.07780	1.1
197.05626	2.0
198.08820	1.4
206.68973	0.9
210.08868	10.0
228.10027	0.9
242.07805	1.4
254.07820	17.9
272.08859	29.1
273.09119	2.1
288.06604	11.6
304.36612	0.7
306.07645	100.0
307.07889	6.6
404.15457	1.6
405.17679	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	2.6
58.00590	0.6
59.01377	61.1
60.01715	0.6
60.99312	0.4
61.98829	4.9
67.05525	0.7
71.01382	7.0
71.05040	0.6
72.99317	0.5
73.02944	0.8
75.88290	0.4
80.78688	0.4
83.01382	1.2
83.05030	1.3
85.02955	1.9
87.00909	1.1
87.72601	0.4
89.02450	5.9
93.70985	0.4
94.03365	0.4
95.01405	0.6
95.05054	0.4
98.19888	1.0
99.04541	2.9
101.02462	3.2
112.59772	0.3
113.02472	2.2
115.04144	0.3
119.03481	1.8
119.08653	2.1
121.06656	0.4
132.04570	0.6
133.10265	1.4
134.75526	0.3
135.08165	1.5
135.11810	0.8
137.09740	4.0
142.45811	0.3
153.12859	0.5
160.04068	1.7
161.04547	0.7
161.09779	1.8
161.10936	0.5
163.07675	1.0
179.10776	3.6
181.08704	10.1
182.09048	0.9
197.11833	29.8
198.12154	1.6
223.09724	2.9
241.10809	100.0
242.11163	6.6
283.11807	1.9
319.57181	0.4
368.06375	0.4
403.11426	0.7
403.16122	9.1
404.16492	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1892
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	5.1
59.53635	0.2
61.98831	6.7
64.16537	0.2
64.73368	0.2
67.75620	0.2
70.48624	0.5
70.49013	0.5
71.01374	0.4
72.99310	0.8
73.49468	0.2
74.99100	0.3
78.95909	53.3
89.02474	0.2
96.96973	6.3
96.97619	0.4
111.25393	0.2
113.02875	0.2
123.54271	0.2
130.60100	0.2
133.01443	0.9
142.99890	0.3
146.04655	0.5
150.98082	1.6
152.99602	100.0
153.99951	2.2
171.00658	4.8
173.00873	0.4
249.18654	0.6
306.87997	0.2
338.89020	0.2
403.18784	6.3
404.19327	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1378
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.3
57.03439	1.3
58.02975	1.7
59.01379	25.6
61.98830	100.0
71.01385	17.4
73.02956	4.5
74.02497	4.1
75.00872	1.1
78.95923	0.9
83.01395	2.3
83.05027	0.9
85.02973	5.8
86.02516	1.1
87.00871	2.3
87.05615	0.8
87.84046	0.8
89.02454	13.3
94.23672	0.8
95.01399	1.2
96.03315	0.8
96.96020	1.9
98.20679	1.9
99.00878	1.3
99.05641	3.0
101.02453	12.1
109.03987	0.8
111.00932	0.9
113.02464	5.4
116.92874	1.0
119.03496	6.5
119.05006	1.1
123.08159	1.0
124.02268	3.6
124.26421	0.8
125.02593	2.7
126.01810	1.3
128.03574	7.9
131.03543	0.9
143.03583	1.2
143.04636	12.2
146.04662	1.2
151.53709	0.7
152.01787	6.8
153.00151	1.7
153.02097	2.7
153.06747	1.4
154.01347	1.4
160.00787	3.6
161.04599	4.9
163.04045	1.4
177.03394	1.9
179.04382	1.1
179.05659	3.5
179.10796	2.0
181.08670	1.1
191.05548	1.0
192.35065	0.8
197.11809	2.7
210.08838	1.6
223.09790	1.6
223.13400	1.0
229.27710	0.9
233.06346	0.8
235.11868	2.7
241.10852	1.7
241.14449	5.7
254.07849	3.2
272.08893	6.3
288.06555	2.1
306.07657	18.8
343.11111	1.0
367.16058	12.0
368.16513	1.4
403.14151	9.5
403.19916	7.9
404.14487	1.7
404.19641	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1612
Annotation	6-Deoxylamioside
Peak:m/z	Relative Intensity
57.03450	3.3
58.00573	0.5
59.01379	68.7
60.01718	0.7
60.04920	0.4
60.42213	0.4
61.98831	4.7
67.05495	0.6
69.85756	2.9
71.01389	8.5
71.05016	0.6
72.99323	0.7
73.02950	1.5
83.01399	1.3
83.05004	0.4
85.02943	2.1
87.00896	1.2
89.02454	7.3
95.01419	0.7
98.19899	0.5
99.04530	2.0
100.62183	0.5
101.02470	3.8
113.02458	4.2
119.03502	1.8
119.08663	1.5
121.06599	0.8
133.10245	1.3
135.08176	1.5
135.11894	0.6
137.09721	5.1
138.10129	0.5
161.09764	3.2
163.07661	1.2
179.10809	4.5
181.08713	11.2
182.09055	0.7
197.11841	41.3
198.12209	2.5
205.08629	0.5
216.16525	0.4
223.09746	4.5
241.10815	100.0
242.11121	5.9
265.10745	0.5
283.11847	2.1
378.05563	0.5
403.16083	7.8
404.16449	0.8
426.90585	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.0677
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01364	3.7
61.98830	24.2
71.01382	1.6
71.02758	1.9
73.02968	0.8
82.53071	0.9
89.02459	1.1
96.95992	0.8
121.02991	1.1
133.02922	1.3
153.00171	1.4
161.04594	0.8
176.01160	9.0
177.01944	100.0
178.02260	6.0
259.12433	0.8
271.40570	0.9
284.03455	0.9
287.75134	0.9
311.08691	0.9
339.07208	51.0
340.07611	5.3
342.11218	1.0
353.22131	0.9
402.18591	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.0679
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	13.7
60.01717	1.8
61.98831	100.0
70.91682	1.1
71.01389	5.2
73.02959	0.6
81.16562	0.4
82.65162	0.4
85.02977	1.0
88.98837	0.5
89.02460	5.0
90.02795	0.8
93.03477	0.5
96.96015	1.3
96.97003	0.6
101.02449	2.3
113.02467	1.6
119.03554	1.4
121.02972	0.6
124.02309	0.9
133.02986	1.5
143.03497	0.8
146.03717	0.8
147.04039	0.6
149.02467	0.8
152.01750	1.3
153.09219	0.8
161.04626	0.8
164.04794	1.0
177.01949	88.9
177.99791	0.4
178.02298	4.0
179.05679	0.8
179.07162	3.3
180.07539	3.8
181.08705	1.5
191.05534	0.5
213.85849	0.5
339.07202	16.6
340.07687	1.5
342.11145	2.7
378.88272	0.4
402.18930	0.8
403.15988	0.9
403.20584	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.0681
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	5.7
60.01733	0.5
61.98832	36.8
69.43162	5.2
71.01382	3.6
72.99316	0.6
73.02950	0.7
74.02481	0.9
81.03458	0.5
85.02959	1.2
89.02437	3.5
89.03978	0.9
90.02766	0.9
96.96973	0.7
98.20583	1.1
101.02463	2.0
105.03500	1.3
113.02451	1.4
116.07174	0.5
117.19438	0.5
119.03509	0.9
130.08774	0.7
131.18314	0.5
133.02975	5.2
137.02412	0.7
149.02467	0.9
176.01143	1.5
177.01947	100.0
178.02295	5.8
179.05577	0.9
180.05922	0.7
289.27057	0.5
339.07211	33.2
340.07416	3.3
341.10999	1.3
342.11224	5.2
343.11374	0.6
359.19318	1.2
402.11688	0.6
402.19626	0.7
403.16132	0.6
403.21259	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1247
Annotation	Unknow
Peak:m/z	Relative Intensity
58.10585	0.3
59.01378	20.6
61.98828	15.9
64.07338	0.2
67.84311	0.3
70.85538	0.6
78.65676	0.2
78.95934	0.3
79.60622	0.2
89.02501	0.3
96.96005	0.3
101.02465	0.4
108.02284	0.3
119.05028	1.7
121.02951	0.5
122.03744	1.5
123.00918	0.4
136.01633	0.4
137.02409	0.7
137.06111	1.6
145.30865	0.3
148.01678	0.4
149.02386	1.2
151.98706	0.3
153.05566	0.5
153.94638	0.2
163.04185	0.3
166.02727	49.3
167.03059	2.7
179.03413	0.3
181.05077	100.0
182.05389	5.5
205.12132	0.3
272.61938	0.3
274.58044	0.3
350.03891	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1454
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24394	0.5
52.36258	0.5
59.01378	80.8
60.01714	0.5
61.98833	1.6
67.99805	0.4
68.91655	0.5
69.83343	1.5
69.83772	1.9
71.01384	11.3
73.02961	1.6
75.00857	0.7
78.95923	0.7
79.63311	0.5
81.87971	0.5
85.02963	1.3
87.00907	1.2
89.02453	14.9
95.72359	0.5
99.00826	0.5
101.02470	6.2
113.02490	4.3
119.03495	4.2
119.04983	1.3
121.02972	100.0
122.03273	2.9
127.00393	1.6
131.03517	1.1
135.04492	0.6
161.04565	2.1
161.05930	0.8
162.63661	0.5
174.42674	0.5
177.02008	0.6
179.05597	5.6
179.07140	25.4
180.07436	1.3
189.00386	2.3
341.06735	1.2
341.10886	24.7
342.11142	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	401.1931
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	0.9
58.02977	30.8
59.01379	53.8
60.01696	1.0
61.98822	1.2
67.66025	0.5
70.02982	17.9
71.01385	12.8
71.02504	1.2
71.66131	0.5
72.00890	1.0
72.79177	0.4
72.99323	0.9
72.99722	0.4
73.02933	1.5
73.04050	0.5
79.95745	1.1
80.96530	0.8
83.01378	0.9
84.04552	1.2
85.02966	2.1
86.24393	0.4
87.00851	0.6
87.05662	2.7
87.48241	0.4
89.02451	11.6
95.01389	0.8
95.02515	3.3
96.00923	19.8
96.96022	53.1
97.06615	1.1
98.06126	0.4
99.00887	0.5
99.04505	0.6
101.02457	6.6
103.00449	0.5
111.02013	1.4
111.05644	3.9
112.04055	4.3
113.02478	4.1
113.03587	22.1
114.01987	26.1
114.03848	0.8
115.00372	0.4
119.03520	3.6
121.02975	4.8
129.06720	5.0
130.08728	1.2
131.04640	41.8
132.04979	0.9
136.05371	0.5
143.03493	0.7
155.04648	29.7
156.05008	1.0
161.04523	1.4
164.04820	8.0
166.99872	1.3
167.10825	4.6
173.05685	12.8
179.05605	4.9
179.07147	11.6
180.07556	1.0
182.02229	8.1
197.04567	8.7
198.04843	0.5
202.21390	0.4
208.13359	0.5
209.11824	2.0
225.14970	1.8
226.14622	1.2
227.12900	6.0
232.87128	0.4
235.67943	0.5
239.12894	0.6
240.13374	0.5
268.15494	1.5
286.16599	20.9
287.16962	1.5
297.06488	1.7
315.07541	49.1
316.07870	3.3
323.16129	1.3
339.19183	0.5
340.17648	2.4
341.10889	19.7
341.17004	3.4
342.11215	1.3
357.08612	34.9
358.08853	2.8
383.06647	1.0
383.18237	16.5
384.16367	3.8
401.07764	10.7
401.19260	100.0
402.07858	1.2
402.19644	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	401.2044
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.0
57.03453	6.3
58.00599	1.3
59.01379	41.1
61.98831	46.0
69.03480	1.6
71.01384	53.1
71.02250	1.7
72.01721	1.1
72.99345	1.3
73.02958	5.0
73.04071	21.1
74.02477	2.3
75.00877	1.1
83.01421	1.4
83.02514	0.9
85.02962	7.1
87.00883	1.8
87.04525	3.4
88.04048	32.7
89.02448	29.8
93.03493	0.9
95.01421	1.2
96.96026	3.5
99.00892	1.8
99.04543	0.7
101.02451	16.6
105.53831	0.7
107.05106	0.7
108.02195	2.7
108.08224	0.9
109.02977	2.1
111.04565	1.4
113.02459	12.4
114.02015	1.2
115.00388	34.4
115.08783	13.8
116.00740	0.8
116.07193	7.3
119.03516	12.3
121.06647	0.9
123.08124	0.8
125.07210	2.0
129.10361	1.1
131.03513	18.1
132.03040	18.3
135.04587	2.7
136.04895	1.1
137.02513	0.9
139.07767	1.1
139.08772	1.6
141.06728	1.7
141.10417	2.2
143.03511	2.1
143.11897	4.0
149.04630	0.9
150.08020	2.4
151.07658	0.9
151.08745	0.9
152.01204	1.9
152.07202	2.5
153.01926	1.6
153.94600	0.7
161.04584	4.6
163.07689	1.2
165.09238	1.6
167.05699	3.7
167.10677	2.0
168.07886	0.8
169.09857	6.6
176.01151	1.6
177.01944	15.1
177.03354	1.1
177.09274	2.6
179.05649	10.8
179.07169	2.0
183.14967	1.6
185.16548	3.2
186.12482	2.8
187.10945	3.5
188.08392	0.8
189.07018	1.1
191.10748	0.7
193.08757	0.8
193.13477	9.3
194.11952	1.2
194.13826	1.0
195.10403	0.7
203.10812	2.3
210.16132	26.6
211.14577	1.2
211.16484	1.0
214.15758	0.7
221.08287	1.5
221.11774	3.4
224.12860	1.6
228.17180	12.2
229.17516	0.8
234.04958	1.0
239.12947	1.2
240.17331	1.1
242.18813	1.9
256.20337	2.6
267.18243	46.5
268.18573	3.9
277.03430	0.7
278.03989	2.5
285.19321	37.6
286.17618	28.9
287.18234	1.5
288.51053	0.8
302.92184	0.7
315.07663	2.8
320.04904	1.1
338.05981	1.0
339.07263	8.8
341.10889	37.3
342.11285	2.5
357.21487	12.1
358.21805	1.9
366.16745	1.8
371.27927	0.6
383.19351	2.2
401.11212	2.3
401.20474	100.0
402.20758	11.4
406.16248	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.13
Annotation	Unknow
Peak:m/z	Relative Intensity
56.92136	1.0
58.00589	1.7
59.01377	56.4
69.48956	8.3
69.49355	2.3
71.01382	34.3
72.99326	1.7
73.02911	1.3
85.02941	5.4
87.00877	1.9
89.02451	50.1
90.02816	1.1
95.01417	1.5
101.02447	18.4
102.02787	1.2
113.02454	15.1
119.03510	18.9
131.03497	3.1
143.03517	3.0
161.04535	5.1
179.05618	23.4
191.05545	1.8
292.79770	1.1
337.74466	1.2
338.85501	1.1
341.10892	100.0
342.11203	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	401.1453
Annotation	Benzyl beta-primeveroside
Peak:m/z	Relative Intensity
55.01881	7.0
57.03448	5.0
58.00595	1.5
58.13041	0.6
59.01381	42.0
63.30521	0.8
69.03461	3.2
69.50787	1.7
69.51200	4.0
71.01387	84.9
72.01717	1.4
72.99306	2.7
73.02951	38.7
74.03281	0.8
75.00870	4.1
76.00198	0.6
80.96312	0.6
81.03439	1.4
83.01394	13.0
83.13474	0.6
84.02184	0.7
85.02959	37.4
86.00081	1.3
87.00896	4.6
89.02454	17.6
94.76231	0.7
95.01399	5.6
97.02962	4.6
99.00896	15.7
99.04546	1.3
101.02456	69.5
102.02802	1.6
107.05004	1.0
111.00900	1.7
113.02463	33.8
114.02753	1.2
115.04033	3.3
121.91228	0.7
125.02448	8.0
126.02715	0.6
129.01964	1.8
129.28310	0.8
131.03514	3.9
143.03520	4.6
149.04582	1.9
159.03018	7.3
161.04576	45.4
162.04893	2.2
191.05586	1.3
199.07121	0.7
203.80554	0.7
205.03520	1.2
233.06633	6.6
269.10300	84.5
270.10654	6.3
293.08862	3.7
341.11078	3.6
401.14548	100.0
402.14874	13.5
417.90060	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1454
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.4
57.03445	1.5
58.00596	1.7
59.01378	100.0
60.01712	0.8
61.98831	21.9
67.09621	0.4
69.29288	0.3
69.71843	2.4
71.01384	23.8
72.01691	0.5
72.74554	0.4
72.99320	1.7
73.02958	2.3
74.02478	0.4
75.00877	0.5
77.98752	0.4
83.01404	1.3
84.03204	0.5
85.02946	4.8
87.00900	1.1
89.02452	26.5
89.82578	0.4
90.02751	0.4
95.01420	1.5
96.96033	1.5
97.02957	0.5
99.00896	1.2
101.02454	13.6
102.02840	0.4
107.05052	0.5
113.02466	9.1
119.03515	10.9
119.05022	0.5
122.03767	0.7
122.60496	0.4
124.05334	1.0
125.02449	0.5
131.03549	1.7
133.06717	0.3
135.04594	0.9
136.05301	0.8
137.06090	0.9
139.07666	8.2
140.08011	0.4
143.03508	2.0
146.03754	12.2
146.04903	0.7
147.04218	0.6
149.04596	1.1
149.09827	0.7
153.09288	1.1
161.04602	5.7
161.06134	4.4
163.04030	0.7
164.04816	8.6
165.05197	0.5
165.09265	1.0
168.07915	4.0
177.01942	19.5
179.05637	6.4
179.07120	40.0
180.06107	0.5
180.07458	2.1
191.10800	5.4
192.15125	0.4
195.23145	0.4
209.11838	3.5
221.11850	2.5
234.97186	0.4
239.12854	7.1
239.27534	0.4
240.13275	0.7
315.07559	0.5
339.07245	2.9
341.10873	14.5
341.14783	0.8
342.11435	0.9
371.17368	0.7
401.11072	0.9
401.18259	5.7
401.22241	0.4
402.18549	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.239
Annotation	Unknow
Peak:m/z	Relative Intensity
54.89529	0.6
59.01377	100.0
60.01713	1.4
61.98837	3.5
67.44144	0.6
70.42052	2.5
90.93887	0.6
101.87653	0.6
133.03017	1.1
149.00682	0.8
153.05602	0.7
157.20445	0.7
162.06058	0.7
177.02080	0.8
192.04309	1.7
275.01453	1.1
399.14554	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	400.0887
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02561	0.4
53.34073	0.4
57.03445	0.8
59.01382	14.9
61.98833	11.7
67.01863	0.4
71.01382	7.9
71.60495	0.8
72.99314	0.7
73.02940	0.9
84.49020	0.5
85.02954	6.7
87.00886	2.2
89.02455	8.4
93.03476	2.9
95.01393	0.6
96.96027	3.7
99.00880	1.0
99.04512	0.7
101.02460	5.2
110.27427	0.5
111.04536	0.8
113.02470	3.6
119.03522	3.7
119.05052	1.1
127.04063	1.6
131.03522	0.7
135.04565	0.5
137.06123	0.6
138.48796	0.4
145.02986	0.5
149.04568	0.4
161.04536	1.2
163.04012	1.5
171.40190	0.4
173.04599	1.0
179.03557	3.4
179.05624	4.5
191.05629	100.0
192.05956	4.6
194.09094	0.7
195.10300	0.5
197.04535	0.8
219.06563	0.8
220.06998	1.4
233.23895	0.4
264.07602	0.5
315.07565	3.8
337.09302	18.0
338.09802	1.4
341.06738	0.9
341.10916	17.0
357.08640	2.4
365.18207	0.5
400.13251	1.8
401.07632	0.9
401.18680	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	400.2343
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	0.5
58.00601	0.5
58.02973	0.5
59.01378	16.0
61.98823	2.0
71.01385	3.9
71.69773	0.5
72.99316	0.4
73.02934	0.3
82.06609	0.4
83.01413	0.4
85.02973	0.9
87.00895	0.4
89.02452	4.7
90.92750	0.3
93.03447	0.4
94.66047	0.3
96.96030	1.1
101.02467	2.0
113.02434	1.7
118.98094	0.7
119.03512	1.7
120.99659	0.7
121.02963	0.4
128.10829	2.1
130.08754	100.0
131.09090	3.1
143.03607	0.4
160.01656	0.4
161.04529	0.6
168.13956	0.5
172.09804	24.6
173.10112	1.0
179.05571	1.7
191.05621	1.5
203.07138	2.0
208.34407	0.3
213.37247	0.3
225.14995	1.9
227.12878	3.4
320.22342	0.5
322.20190	1.8
338.23465	0.4
340.21390	3.1
341.10886	9.9
382.22318	3.7
383.22757	0.5
400.23392	66.8
401.13144	0.6
401.18988	0.7
401.23798	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	401.1007
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70069	0.9
57.03449	1.2
58.00596	1.2
59.01379	22.1
61.98820	3.0
71.01381	14.4
71.72235	0.8
71.72616	0.8
71.97739	0.7
72.99278	1.3
80.47054	0.7
83.01357	1.5
83.60403	0.8
85.02950	3.7
87.00899	1.1
89.02451	18.3
91.04007	4.1
94.52496	0.7
95.05046	0.9
96.96001	0.9
97.06580	0.8
101.02444	8.2
113.02467	6.0
119.03510	5.4
120.99667	1.6
121.02159	1.2
121.02970	13.9
127.11260	1.2
143.03487	1.2
148.54086	0.8
149.04579	0.9
154.24872	0.8
160.01685	4.3
161.04570	2.5
171.10216	1.7
174.03214	7.3
177.91263	0.7
179.05641	6.4
179.10692	0.8
181.06543	1.0
183.13976	0.9
185.10156	0.9
192.04300	0.9
193.05157	1.1
195.13722	0.8
197.88586	0.7
203.07143	100.0
204.07478	7.4
208.91240	0.7
211.13420	4.5
216.05023	0.7
229.14458	2.9
291.19577	1.3
309.20709	2.3
313.07187	3.6
327.21768	20.7
328.22012	1.0
341.10907	30.9
342.11230	2.2
357.05969	1.4
394.74524	0.9
401.08661	4.4
401.20529	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	401.1122
Annotation	Unknow
Peak:m/z	Relative Intensity
54.29847	0.5
57.03439	1.8
58.00586	1.5
59.01378	40.1
60.01734	0.8
61.98827	4.0
63.96233	1.0
66.62091	0.5
69.03449	0.8
69.41052	5.2
71.01384	29.9
72.99312	1.9
73.02943	5.6
75.00895	0.5
78.95905	1.8
78.98601	4.7
79.95740	6.9
80.23045	0.5
80.96523	57.1
83.01387	1.5
85.02959	8.9
87.00885	4.4
89.02450	21.2
93.03471	1.7
94.98095	13.0
95.01406	2.1
95.05038	0.6
96.96026	2.0
97.02979	2.4
99.00887	1.4
101.02449	14.5
101.06087	2.0
106.98100	2.1
109.02987	0.7
109.06657	0.5
113.02454	9.9
119.03499	6.5
121.02927	0.6
121.06667	0.8
122.03758	1.1
122.97604	2.3
124.05318	2.4
125.02476	3.0
125.06123	0.8
127.04040	1.2
129.05681	0.6
131.03522	1.4
133.06549	0.6
134.97591	3.9
135.04546	1.0
136.99170	1.2
137.02458	0.7
137.06093	1.6
139.07655	15.3
143.03525	1.4
146.03729	2.4
148.99174	5.8
149.04568	0.7
149.09752	1.4
152.98662	4.7
159.02997	1.0
161.04588	7.0
161.05959	1.1
163.03981	0.6
164.04805	1.4
164.98642	10.3
168.07919	10.3
177.01888	2.4
179.05608	6.2
179.07166	7.4
179.10767	1.3
181.01440	0.8
182.02225	3.4
190.94931	0.5
191.05618	8.6
191.10751	9.5
192.10995	0.6
197.04539	4.1
206.99745	2.7
209.11803	3.1
221.11867	4.7
225.00763	13.0
239.12859	7.7
299.04391	2.9
315.07584	0.7
341.06750	1.1
341.10895	20.1
342.11111	1.5
371.17288	1.3
401.11237	100.0
401.17938	4.0
402.11542	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	399.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
60.01713	0.9
61.98837	9.1
62.23191	1.0
67.78855	0.9
71.61446	1.3
74.02442	1.0
80.18472	1.0
90.73852	0.9
95.97243	0.8
96.96074	1.2
100.67590	1.0
106.33932	1.0
154.44388	0.9
187.33833	1.0
189.01361	2.3
191.05472	0.9
205.05142	2.8
206.05348	2.8
230.10432	1.2
265.18033	9.8
266.18326	1.2
347.39462	1.1
355.25150	1.1
399.12482	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	399.1295
Annotation	Zuclopenthixol
Peak:m/z	Relative Intensity
50.33399	0.5
55.01890	1.1
57.03452	1.2
58.00596	1.2
59.01377	31.7
61.98841	0.5
69.66097	4.5
71.01379	17.7
72.99297	1.4
73.02936	1.9
83.01399	1.6
85.02942	4.3
85.06602	1.7
86.00083	2.1
86.16566	0.5
87.00879	7.7
87.04533	2.0
89.02452	13.2
92.96828	0.6
93.03464	19.2
95.01380	1.7
95.05028	1.7
101.02456	9.2
108.02182	0.9
110.77475	0.5
113.02451	4.1
113.06102	0.8
119.03507	5.3
121.02964	13.3
122.03699	0.7
123.04533	8.4
124.04814	0.6
129.01976	1.3
132.02203	0.5
135.00897	1.0
145.02986	2.2
146.03732	1.9
147.04498	0.6
147.08130	1.5
148.01649	2.8
149.02484	2.8
149.06126	0.8
150.03252	1.6
157.06456	0.6
163.07669	4.5
165.05530	0.8
165.09201	2.8
173.06133	0.5
175.07652	16.0
175.11179	0.7
176.01180	5.3
176.07962	1.0
177.01772	0.5
177.09302	0.9
179.05615	0.7
190.02736	1.2
191.07149	6.5
192.07477	0.7
193.08696	64.0
194.09027	4.1
195.10226	1.0
205.08881	0.6
210.02425	0.6
219.06612	100.0
220.06955	6.5
222.81898	0.5
265.10730	1.9
350.92792	0.6
355.13943	13.2
356.14334	1.7
381.12030	0.6
399.12936	83.0
400.13278	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	399.1298
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	0.8
58.00597	1.3
58.32694	0.4
59.01381	33.0
61.98825	1.3
69.98322	1.6
69.98734	1.1
71.01384	18.6
72.01755	0.5
72.33110	0.5
72.99330	1.5
82.00609	0.8
83.01395	0.8
85.02955	3.4
87.00871	1.1
89.02451	21.3
92.02723	1.1
93.03463	1.1
95.01397	2.4
101.02457	7.8
108.02191	1.4
113.02477	6.9
119.03524	7.5
131.03526	1.0
131.58044	0.4
142.36263	0.5
143.03537	1.1
145.02977	17.8
146.03697	1.6
149.04614	0.8
159.04567	1.4
161.04605	1.0
162.03348	0.6
173.06142	3.5
175.07655	66.7
176.08018	4.2
177.05664	0.7
179.05630	3.0
191.05635	0.7
193.08702	1.7
195.62883	0.5
201.05545	0.8
210.19783	0.5
217.61424	0.6
219.06621	100.0
220.06972	7.5
228.42964	0.4
309.65677	0.4
344.37402	0.5
399.13016	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	397.1635
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30550	3.7
57.03429	7.3
59.01374	24.4
60.87142	3.8
60.99308	12.0
61.98837	21.7
68.32675	3.4
68.99822	9.7
70.08203	22.2
71.01379	37.0
72.99319	11.8
73.02944	4.5
82.68319	4.4
83.01398	11.3
85.02963	14.2
85.03458	3.7
87.00900	9.5
88.98810	100.0
99.00897	15.7
101.02450	4.7
111.00888	33.2
112.98811	44.8
115.00398	17.2
128.17128	3.8
129.01961	26.3
135.04507	5.5
142.99870	20.8
145.01460	15.4
145.03020	3.6
157.01399	4.5
170.58800	3.9
173.00887	33.4
205.03505	7.1
315.15924	4.2
337.16666	5.7
348.19659	4.6
353.13815	6.9
397.20566	15.8
397.70416	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	397.198
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10880	0.3
57.03442	0.9
58.02979	0.4
59.01110	0.7
59.01383	9.6
61.98826	2.8
67.03010	0.5
69.37508	2.9
71.01397	1.0
72.00916	0.5
72.99322	0.5
73.02950	0.4
74.02465	1.9
78.62420	0.3
79.60291	0.3
82.02982	1.1
83.05054	0.5
84.04556	4.4
85.02959	0.5
86.02477	0.5
87.00918	0.4
89.02446	0.7
93.03474	0.4
96.95988	0.5
97.04084	0.8
97.06635	0.4
98.02489	1.2
98.69028	0.5
99.00881	0.4
99.04561	0.3
99.05661	0.8
101.02419	0.6
101.07226	2.4
105.94948	0.3
107.02535	0.6
107.08685	0.6
109.02967	0.4
109.04088	8.0
109.06610	0.6
110.04499	0.4
121.06609	0.5
125.03587	4.8
127.00332	0.5
127.05152	30.4
128.02599	0.7
128.03551	13.2
128.05518	0.8
133.06679	0.3
135.04575	0.4
144.01024	0.3
145.06209	100.0
146.06587	2.3
155.16377	0.3
161.04620	0.5
163.11354	0.4
173.99744	0.3
191.10832	0.6
193.05022	0.5
206.26358	0.3
207.13873	2.9
209.11728	0.4
219.06590	0.7
251.12889	0.7
265.15396	0.5
277.10767	0.5
307.11990	0.4
319.16663	0.8
335.16122	0.3
335.19681	2.3
337.17633	5.4
338.18042	0.4
342.57443	0.4
343.28650	0.4
379.18768	6.1
380.19000	0.8
397.19803	85.6
398.20096	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	397.2234
Annotation	Neorustmicin B
Peak:m/z	Relative Intensity
53.29238	1.1
54.84820	1.1
55.01866	4.1
57.03428	1.3
59.01373	3.2
61.98851	1.4
68.32943	1.1
68.99818	2.3
69.65287	4.4
69.65718	5.0
71.01391	8.0
72.99310	3.4
73.02969	1.7
75.00869	2.0
83.01399	12.6
85.02966	3.0
87.00891	1.5
95.58460	1.4
96.34745	1.1
99.00887	4.1
106.93246	1.2
108.02185	2.7
111.00862	2.3
112.98811	1.9
114.01929	1.3
120.05782	1.1
122.77119	1.1
124.98824	8.4
127.00414	3.0
138.03236	3.4
142.99875	18.8
152.98416	1.1
154.99886	46.2
156.00262	2.2
162.99559	1.2
173.00932	52.4
174.01523	3.5
191.04010	1.1
221.18959	1.4
223.20580	6.5
235.20708	2.7
237.22153	3.7
247.20685	2.7
249.18547	2.0
249.22374	1.2
251.20102	2.6
251.23839	4.0
253.21576	1.2
263.20056	1.9
265.17981	1.5
265.21707	5.5
267.23380	2.0
277.18103	2.5
277.21771	3.7
278.18326	1.2
279.19781	2.9
279.23285	3.2
293.17758	2.1
295.22714	2.1
303.20020	1.4
305.16867	1.1
319.19128	2.7
323.18582	12.8
324.19067	2.3
335.22504	5.4
336.22736	1.6
349.20172	1.7
365.19818	5.6
367.21289	17.8
368.21448	1.9
397.22336	100.0
398.22580	16.8
407.92297	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.2232
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	4.6
59.01374	10.4
65.00333	2.1
67.01893	4.0
68.45536	1.2
68.99828	6.8
69.03434	2.7
70.33006	4.7
71.01375	13.6
72.81905	1.3
72.99308	22.4
73.02941	2.4
75.00876	5.0
76.48625	1.2
78.42394	1.1
80.02693	3.7
81.03459	3.3
83.01389	14.2
85.02964	2.7
86.00118	5.1
87.00883	25.3
89.02457	5.1
97.02991	1.5
99.00889	24.1
100.01682	1.5
101.02457	10.9
108.02193	7.9
109.02969	1.8
110.00110	5.1
110.03753	1.8
111.00896	9.7
112.98827	11.9
113.02475	5.6
113.99615	7.8
115.00381	5.8
119.03551	2.0
123.00927	2.2
124.98849	3.7
125.02496	3.9
125.99624	1.7
126.17742	1.1
127.00387	57.9
128.01138	2.3
136.01707	1.5
137.99577	12.1
138.03255	2.6
143.03529	5.4
145.01445	3.2
146.86105	1.3
151.00421	3.0
152.01195	6.6
153.01936	2.0
154.99879	59.3
156.00160	1.6
157.01460	2.5
159.03008	3.9
166.02748	2.3
169.01483	5.0
173.00887	1.6
174.01720	4.6
181.01485	2.1
187.02469	13.7
188.02698	1.4
191.18124	1.7
207.17496	8.2
209.19128	18.4
210.19339	1.7
221.19151	3.1
231.17624	1.8
233.19067	2.0
233.45834	1.3
235.08243	2.2
235.20648	7.3
237.18649	1.4
237.22173	1.5
239.20320	2.2
247.20746	2.9
249.18555	8.2
251.20065	3.5
251.23856	2.8
263.20148	7.8
265.18054	18.2
265.21683	4.9
266.18762	1.2
275.20190	2.3
277.18079	4.6
277.21661	2.0
279.19592	5.4
279.22610	1.2
281.21243	4.6
291.19672	8.3
292.20187	1.5
293.17596	65.0
293.20847	2.9
294.17953	6.4
295.22855	3.1
303.16272	1.7
303.19699	5.2
305.17621	2.6
307.19159	1.8
307.22614	1.6
319.19162	2.5
321.17047	13.1
321.20706	10.4
323.22263	5.1
335.22278	5.2
337.20117	13.4
339.21674	4.5
353.23373	4.8
365.19690	100.0
366.20090	12.4
367.21362	2.3
379.21301	2.4
397.14029	9.0
397.22299	38.2
398.22736	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	398.1308
Annotation	Unknow
Peak:m/z	Relative Intensity
57.80883	0.3
59.01378	18.7
61.98830	100.0
68.95399	0.3
69.59930	1.7
69.60350	0.6
71.01382	1.8
72.01707	0.4
73.02950	1.0
78.99134	0.3
85.02966	1.0
86.05675	0.3
89.02441	0.5
93.03465	0.4
96.96014	1.9
99.00893	0.5
101.02495	1.5
113.02466	0.8
121.02978	3.1
136.99210	0.3
149.02457	0.4
186.50702	0.3
192.07599	0.4
194.05353	0.4
202.18910	0.3
219.06610	0.5
249.13391	2.8
250.14156	0.4
268.99643	0.3
291.14560	1.1
398.16449	0.5
399.13223	2.7
399.26166	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.1305
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	0.4
59.01379	17.8
60.03794	0.2
61.98830	100.0
71.01398	1.8
71.71617	0.3
71.72021	0.4
73.02959	0.7
79.37416	0.2
82.24327	0.2
83.01410	0.5
85.02965	1.0
87.00874	0.4
89.02431	0.4
96.96018	2.1
99.00887	0.3
101.02448	2.0
111.00864	0.3
113.02484	0.9
121.02968	7.6
159.02954	0.4
161.04610	0.5
175.07602	0.3
192.07529	0.3
192.94708	0.3
249.13383	3.0
291.14548	0.8
329.59229	0.3
399.13205	2.3
399.26407	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1141
Annotation	Picraquassioside A
Peak:m/z	Relative Intensity
51.62470	0.1
56.12126	0.1
59.01377	1.6
59.97355	0.1
61.46340	0.1
61.98823	1.0
63.02399	0.4
65.00320	0.5
65.29823	0.1
67.01927	0.1
69.03450	0.2
69.94849	0.4
69.95251	0.2
69.96564	0.1
71.01387	0.8
73.02940	0.2
78.95907	0.2
79.05504	0.1
81.03462	0.9
83.05019	0.4
85.02959	0.2
87.00848	0.1
93.03462	0.3
95.05045	0.1
96.96009	1.0
98.20605	0.1
101.02443	0.3
105.03468	1.7
105.07110	0.9
107.01398	3.1
107.05038	1.2
107.83161	0.1
109.02951	0.1
112.93736	0.2
113.02453	0.3
113.46186	0.1
119.05021	0.5
121.02961	0.3
121.06601	0.3
123.04535	0.9
130.04269	0.1
131.05016	0.4
133.06592	0.1
134.03615	0.1
135.04520	0.2
135.07974	0.1
137.06055	0.1
140.83684	0.1
145.02928	0.2
147.04523	0.3
149.02455	23.1
149.06084	8.2
150.02812	1.1
150.06425	0.3
151.04042	0.8
151.05057	0.1
155.10799	0.2
161.06120	0.1
163.04027	1.0
164.04843	0.7
165.05482	0.3
173.09778	0.3
175.03999	0.7
177.05525	0.2
191.03537	1.5
191.10806	0.3
192.04262	1.1
193.05058	100.0
194.05402	5.9
198.72308	0.1
199.09772	0.2
205.05057	0.3
207.06674	0.3
217.05013	0.9
235.06094	2.9
235.09694	0.2
236.06491	0.3
247.06062	0.2
249.07707	0.6
279.08759	0.2
289.07230	0.2
319.08548	0.1
337.09314	0.4
355.10254	0.4
361.14365	0.1
397.11386	46.8
398.11703	5.1
398.16968	0.2
411.26395	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	397.1294
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21119	0.5
59.01382	4.6
60.30826	0.6
61.98801	1.9
71.01382	6.0
71.61578	0.9
73.02914	0.5
78.95885	2.4
87.04575	0.6
106.91396	0.5
108.02146	2.4
109.02264	0.7
109.02969	9.8
115.00389	9.7
120.99635	3.1
121.02943	1.4
123.04496	0.8
124.01595	0.6
131.05006	1.0
133.02982	2.8
134.03703	1.9
135.04480	1.2
143.05142	0.8
149.02432	1.2
149.06065	1.2
157.06618	1.5
185.09703	1.4
193.92915	0.5
195.08090	0.7
207.08064	1.8
209.06107	1.0
209.09706	0.8
219.08009	0.7
221.09639	2.7
222.06801	1.1
223.07614	2.9
224.04832	0.7
225.05669	0.5
232.03668	1.0
233.06087	0.9
235.07573	0.7
237.05551	5.4
237.09200	2.3
238.06172	2.2
239.07077	2.4
247.07719	2.7
248.08426	0.7
249.05557	1.8
250.06316	7.1
251.07130	19.4
251.10765	1.6
252.07811	4.7
254.05766	0.6
261.09366	0.6
262.06329	0.9
263.07104	5.4
264.07870	5.3
265.08673	47.8
265.12125	2.7
266.05774	4.8
266.09018	5.0
267.06229	0.6
276.11426	0.6
277.08646	1.9
277.12320	3.8
278.09555	0.7
278.12820	1.3
279.10236	8.4
280.10654	0.9
281.04517	0.7
281.08105	1.1
291.06631	0.9
292.11057	1.6
293.11829	71.2
294.12518	34.9
295.13004	3.3
296.06909	0.7
307.13379	1.4
309.14948	34.7
310.15451	3.9
321.11401	1.0
335.13013	1.6
338.11612	2.2
341.13986	1.4
353.13953	100.0
354.14291	12.1
397.12997	20.4
397.18524	2.2
398.13501	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	397.1295
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73077	0.7
59.01376	6.4
61.98829	5.5
71.57457	0.9
78.95912	6.9
79.85597	0.7
84.43432	0.7
93.03477	1.1
96.96021	1.7
98.95589	1.9
108.02177	3.1
109.02968	7.1
115.08811	0.7
120.99662	1.0
123.04561	1.0
131.05051	0.8
133.02960	1.6
134.03773	2.4
135.04495	0.9
143.05101	0.9
149.02467	1.9
149.06082	2.7
178.02724	1.1
181.06702	0.8
185.09709	0.9
193.05190	3.7
196.35864	0.8
203.07249	1.1
207.08090	1.3
208.05215	1.4
209.06020	1.7
211.11305	1.0
211.13416	0.9
212.56174	0.8
221.06284	0.9
221.09801	2.0
222.06908	1.4
223.07632	3.5
225.05609	2.2
233.06073	2.2
235.07709	0.8
237.05556	5.6
237.09227	2.0
237.12712	1.7
238.06186	1.6
239.07149	1.3
247.07680	4.5
248.08345	1.4
249.05527	2.1
250.06351	11.1
251.07121	24.2
251.10938	1.1
252.07773	6.9
263.07065	5.2
264.07877	5.4
264.11258	1.7
265.08667	39.9
265.12170	2.5
266.05814	2.4
266.08994	4.2
275.10623	0.9
277.08755	3.3
277.12347	8.5
277.78821	0.8
277.93643	0.8
278.09360	1.2
278.12766	1.0
279.10327	7.1
280.10620	1.0
281.08121	1.1
289.80399	0.8
291.06653	0.8
292.10886	2.0
293.11829	65.8
293.97568	0.8
294.12512	27.9
295.12958	2.0
307.13425	1.9
308.81754	0.9
309.14963	29.8
310.15271	2.1
341.13834	0.8
353.13959	100.0
354.14359	12.1
397.12952	23.1
397.21719	2.5
398.13373	2.5
404.33282	0.9
419.63129	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44332	1.1
55.01857	2.7
57.03445	3.6
58.00609	1.4
59.01384	19.3
61.98829	1.8
65.03971	6.2
67.01892	2.8
69.03456	6.6
69.67078	6.5
69.67490	2.4
71.01389	34.1
71.29173	1.0
73.02948	7.0
74.99102	2.8
79.01875	2.2
81.03467	16.7
83.01394	4.1
83.05034	100.0
84.05366	2.0
85.02962	21.7
87.00900	1.5
89.02439	7.4
89.03977	4.9
91.05550	2.9
91.99990	1.1
93.03486	6.5
95.01412	4.5
95.05042	8.8
97.02953	8.6
99.00887	2.9
100.58685	1.2
101.02451	12.5
105.03472	20.9
107.05044	14.8
107.83827	1.4
108.02190	1.5
109.03004	1.9
109.06624	2.2
111.04566	1.5
113.02459	13.4
115.05564	2.6
117.03393	1.4
119.03518	1.6
119.05058	3.3
121.02975	19.3
121.03798	2.1
121.06608	1.7
122.03745	4.8
123.04546	74.7
124.04849	3.4
125.06101	4.2
127.04037	33.1
131.05032	3.3
133.02910	1.5
133.06618	9.4
134.03741	4.0
135.04550	7.3
135.08168	1.6
136.99171	4.1
137.06110	11.6
139.03975	1.2
143.03484	1.7
144.91624	1.2
145.02933	1.8
147.04530	6.7
147.08157	4.1
149.02451	5.8
149.06163	1.4
151.04074	1.2
159.03177	1.2
159.04535	4.0
159.08147	1.2
160.05304	2.9
160.66484	1.1
161.04591	5.6
161.06097	1.7
162.03207	1.8
165.05580	2.7
169.06641	1.6
171.08194	8.7
173.06161	1.9
173.11873	2.6
177.05554	3.8
187.07628	13.2
188.08359	5.0
189.09230	37.5
190.09457	1.7
205.08701	2.1
231.10286	2.8
233.08156	10.6
241.39227	1.1
249.07573	1.7
251.09244	3.1
253.74904	1.4
267.09000	2.2
371.36008	1.2
395.13168	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	397.0965
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	1.9
61.98839	0.5
66.83998	0.2
70.73204	0.4
70.73571	0.3
71.01378	0.2
73.02931	0.3
74.02480	0.3
78.11779	0.2
78.95943	0.3
87.00897	0.2
96.62490	0.2
120.99673	100.0
122.00066	1.6
130.08710	0.3
152.99542	0.4
173.01007	0.2
173.02464	3.6
173.06194	0.2
175.04050	0.2
180.37793	0.2
181.36324	0.2
193.05058	0.2
198.42378	0.2
213.05551	1.3
217.05058	7.7
218.05392	0.6
226.87012	0.2
231.06627	0.5
236.63556	0.2
251.03833	0.7
257.08173	2.5
258.08621	0.2
275.09253	12.6
276.09567	1.1
276.67688	0.2
352.81110	0.2
397.09567	3.8
398.10193	0.6
398.21912	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.1179
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	4.5
61.98831	100.0
63.23279	0.6
64.29672	0.5
71.01408	0.9
71.14878	1.4
71.15222	0.6
74.02090	0.5
74.99100	3.0
85.02984	0.8
93.03480	0.6
96.65384	0.5
96.96028	0.9
97.06599	0.6
102.98632	2.3
120.99709	0.8
125.91698	0.6
134.03778	0.6
135.04538	0.6
158.80746	0.5
181.92952	0.6
197.10176	1.0
211.03725	0.7
218.91277	0.6
243.10588	19.5
244.10956	1.5
319.20404	0.7
331.12198	16.9
332.12646	1.1
344.80780	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.1847
Annotation	Unknow
Peak:m/z	Relative Intensity
53.61299	0.2
59.01363	1.0
59.29229	0.2
61.98828	100.0
71.01386	0.3
71.10945	0.2
71.66372	0.3
74.88474	0.2
84.00948	0.3
100.01193	0.4
173.27689	0.2
176.30115	0.3
187.40053	0.3
240.97275	0.3
269.43298	0.3
294.90973	0.3
330.43121	0.3
394.18381	7.0
395.18918	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.2448
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22663	0.4
51.93583	0.3
52.56202	0.4
58.21864	0.3
58.95333	0.4
59.01374	2.8
60.12251	0.3
61.98831	100.0
71.57497	0.3
83.03065	0.3
96.96027	6.8
105.14734	0.5
115.66303	0.4
256.99646	0.5
304.65921	0.4
314.79465	0.4
331.24985	0.4
365.03528	0.4
395.13776	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	395.0988
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37269	0.1
53.22383	0.1
55.01873	0.4
57.03447	0.5
58.00588	0.3
59.01380	10.8
61.98824	1.2
65.00315	0.2
69.75015	0.9
71.01385	4.8
72.99329	0.4
73.02955	0.7
74.99110	0.3
75.00874	0.2
76.81646	0.1
81.03419	0.2
83.01387	0.7
85.02951	1.8
87.00882	0.3
88.36481	0.1
89.02448	2.1
91.01910	0.2
93.03465	0.2
95.01414	0.5
96.82051	0.1
96.96038	0.4
97.02948	0.2
98.20678	0.2
99.00922	0.4
101.02446	2.0
108.02191	2.0
110.14856	0.1
113.02482	1.6
115.05531	0.4
117.03560	0.2
119.01434	0.1
119.03519	0.6
120.01255	1.1
121.02986	0.3
127.00407	0.2
127.05163	0.3
128.03499	0.2
130.04263	0.1
131.05045	0.6
132.02193	0.4
133.02998	1.7
133.06630	0.8
135.00917	0.7
136.99147	0.4
143.05034	0.4
145.02890	0.2
145.06165	0.7
146.03703	0.3
147.04591	0.2
148.01675	1.4
151.07634	0.3
159.04539	2.7
161.02457	0.8
161.04588	0.3
161.06070	0.6
163.00403	0.2
163.04012	0.2
170.03751	0.1
171.04520	0.9
172.01715	0.3
173.02451	2.2
173.06073	1.8
174.03159	0.5
177.05559	0.6
186.03244	0.4
187.04008	1.3
188.04770	0.5
189.05582	100.0
190.05922	7.0
191.03534	0.3
191.05479	0.2
200.01167	1.0
201.01717	0.2
202.99797	0.2
215.03505	34.6
216.03810	2.3
217.05060	0.8
231.06465	0.2
232.03673	0.5
233.04543	4.5
234.04901	0.2
255.03020	0.3
257.07962	0.1
264.09222	0.2
271.02429	0.4
275.09247	0.6
300.02820	0.3
315.05081	1.1
349.04947	0.2
351.10907	1.4
352.11319	0.2
365.06693	0.4
388.19247	0.1
395.09830	44.1
396.10144	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	395.1111
Annotation	Unknow
Peak:m/z	Relative Intensity
55.49770	1.5
59.01385	7.9
61.98832	17.3
69.35256	1.2
69.54064	7.2
69.54498	6.7
71.01361	1.5
73.91586	1.5
80.91689	4.0
93.04592	2.1
102.05643	2.4
117.03477	4.5
119.05048	2.8
121.00609	1.6
121.02945	1.6
132.05826	1.4
133.02960	26.4
134.03767	54.9
135.04514	3.0
137.03574	1.6
149.06078	6.1
154.06242	16.6
173.00928	1.5
179.03516	4.9
187.00128	2.0
188.00909	7.4
193.05066	45.3
200.00909	70.6
201.01286	4.4
215.01434	2.2
215.03423	25.7
216.03580	1.9
219.01460	2.9
233.04309	2.2
249.11311	4.2
261.02484	2.6
281.04724	1.5
313.10785	23.6
314.71869	1.5
320.06671	15.7
321.06839	1.7
335.09012	100.0
336.09384	10.6
395.09808	10.6
396.02991	2.2
396.10144	3.0
396.19720	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	395.1111
Annotation	Unknow
Peak:m/z	Relative Intensity
58.59828	0.4
59.01373	2.1
61.98822	2.8
69.95962	2.9
71.01406	0.7
73.79059	0.4
75.89459	0.4
80.91698	2.1
81.59387	0.4
82.44032	0.4
82.95426	1.0
89.04004	0.6
92.70024	0.5
93.04590	1.7
96.96032	1.8
105.03473	0.7
111.00915	0.4
117.03486	6.9
119.05041	0.6
133.02965	6.4
134.03755	98.9
135.04472	5.1
137.02484	3.6
137.03601	2.1
139.04007	0.8
148.05312	1.0
149.06105	7.5
150.03224	0.5
153.39378	0.4
154.06232	14.3
160.01674	1.0
161.02412	0.4
177.26367	0.5
178.02753	3.7
179.03525	7.6
185.03761	0.4
193.05064	100.0
194.05409	5.4
200.00931	4.2
215.01949	2.2
215.03487	1.3
219.01488	1.6
231.31519	0.5
249.11195	0.8
261.02661	0.7
298.08383	1.2
313.10803	71.6
314.11136	7.3
320.06818	1.2
335.09006	8.6
336.09314	0.8
358.99353	0.5
380.07538	1.4
395.09506	3.7
396.10370	0.7
397.35226	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
56.16296	0.7
59.01379	100.0
60.01721	0.9
61.98831	52.3
71.01386	3.8
71.57851	0.9
75.00887	0.8
85.02982	1.3
89.02467	2.4
96.77477	0.7
97.06621	0.7
101.02477	2.1
102.05624	5.0
113.02460	5.4
119.03559	1.4
119.05042	0.8
145.06198	1.8
154.06239	1.5
161.04604	2.2
163.04079	1.1
171.13928	75.3
172.14204	4.3
174.41284	0.7
184.05966	1.5
185.15506	3.4
199.07930	0.7
213.15036	1.7
213.19513	0.7
217.00320	0.7
260.41458	0.7
268.22784	1.2
329.82184	0.8
333.19464	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.213
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.3
56.61629	0.2
57.03440	0.6
59.01379	100.0
60.01720	1.2
60.12579	0.2
61.98828	3.0
66.05614	0.2
71.01386	4.3
71.57036	0.3
73.02943	1.9
74.99086	0.3
75.00906	0.2
75.43958	0.2
80.05073	0.3
83.01418	1.1
85.02959	1.9
87.00903	0.6
88.98842	0.3
89.02478	0.8
95.01440	0.5
95.95933	0.2
96.96012	1.6
99.00924	0.7
101.02453	3.2
113.02476	2.3
120.99715	0.4
125.02500	0.3
127.00405	0.8
130.08800	0.3
130.55389	0.3
136.99152	0.4
139.07878	0.3
159.03076	0.3
161.04597	2.0
171.10292	2.1
180.04301	0.4
183.10385	0.4
189.00459	0.7
189.14980	0.7
191.05637	0.3
192.02997	0.3
193.05112	1.3
241.00258	0.4
261.13486	0.3
264.21030	0.3
289.15143	0.3
319.55109	0.3
330.20517	0.6
333.19183	7.8
334.19742	0.6
351.20239	1.5
393.05038	0.6
393.16782	1.5
393.22488	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69061	0.4
59.01377	100.0
60.01723	1.3
60.41735	0.5
61.98826	5.1
70.60955	1.0
70.61340	1.0
71.01375	1.1
78.95907	1.1
83.05106	0.7
85.02953	0.8
91.81445	0.4
96.96044	1.1
125.09773	1.0
139.84290	0.5
151.00388	0.5
161.02464	0.5
161.04543	4.6
161.13434	0.5
168.24420	0.4
171.10298	1.6
171.13918	82.5
172.14246	4.7
177.12946	1.0
178.99931	0.5
205.12363	1.2
232.33299	0.5
331.31738	0.6
333.19281	1.4
349.23706	1.2
375.21741	2.7
393.13647	1.0
393.23010	5.6
394.23117	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.213
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03421	0.6
59.01378	100.0
60.01706	1.2
61.98825	3.9
66.63173	0.4
69.31858	0.5
71.01388	1.6
71.69831	0.7
79.95737	0.7
89.02464	2.0
95.39913	0.5
96.96023	2.7
101.02479	1.4
113.02474	0.9
119.03577	0.6
137.02437	0.5
179.05637	0.7
393.12219	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2256
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	2.0
59.01382	39.2
59.28440	1.6
61.63097	1.7
61.98533	2.1
61.98835	29.8
62.78378	1.5
69.74796	15.0
70.82343	1.9
70.89378	1.7
75.99257	1.7
78.95927	2.0
80.91685	2.3
83.05042	1.9
97.02953	2.3
99.08160	3.1
99.92587	3.8
102.05582	2.2
104.08858	1.9
105.11867	1.9
113.09761	4.5
115.00402	2.2
116.92899	1.6
121.10273	2.6
125.09718	3.3
139.11296	15.2
146.36330	2.0
165.12840	3.9
171.10265	28.5
172.10597	2.1
173.00908	2.1
174.01732	11.0
175.02455	3.5
191.89108	2.0
193.08531	13.3
193.12334	8.0
199.53281	1.7
207.10059	3.0
211.13396	8.1
215.10529	5.2
233.11562	22.3
249.22275	2.0
281.28107	1.8
293.21265	16.5
302.01266	1.8
311.22290	100.0
312.22656	8.4
333.20514	9.4
355.17279	2.1
377.19205	2.6
393.22549	28.7
394.22833	5.3
405.12778	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	392.2291
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	2.3
61.98831	100.0
62.98531	0.5
68.99821	0.9
71.64172	0.7
76.69315	0.3
84.10878	0.4
89.96463	0.3
95.48658	0.3
96.96017	0.9
96.99335	1.0
99.00918	0.4
114.10731	0.3
121.03006	0.4
145.06210	0.5
154.06261	0.4
359.13715	0.4
392.20978	2.0
392.25217	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.229
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	100.0
70.87815	0.4
71.38249	0.5
71.38580	0.5
86.58442	0.4
111.56054	0.4
179.55350	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.229
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14990	0.5
54.35541	0.5
59.01375	10.0
60.41460	0.5
61.98829	100.0
62.58141	0.4
69.96989	3.1
71.01384	2.3
72.81995	0.5
75.32544	0.4
78.95927	1.8
89.32979	0.5
96.96048	1.2
115.00465	0.6
119.50470	0.5
134.03767	1.3
162.03235	1.0
163.03598	1.1
171.00655	0.7
179.35680	0.4
232.03767	0.5
237.79063	0.4
254.48695	0.5
275.09302	1.1
276.09512	2.4
288.61371	0.5
349.19238	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1705
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.0
61.77895	0.2
61.98830	9.6
62.94587	0.2
69.61056	1.9
70.09766	0.3
93.03469	0.2
98.19910	0.5
99.00917	0.2
99.92591	2.4
100.90450	0.3
115.92096	1.4
116.92845	2.2
117.03446	0.2
117.92802	0.2
121.41380	0.2
130.04201	0.8
145.02953	0.4
146.03729	1.5
159.08202	0.5
160.01671	10.6
161.02203	0.5
173.02391	0.6
174.03232	13.8
175.03574	0.7
178.02769	0.4
185.06163	0.3
189.09178	0.8
203.07138	100.0
204.07465	6.4
268.16071	0.2
293.21265	0.7
293.58755	0.2
293.82242	0.2
357.07596	0.5
375.12854	0.7
390.41354	0.2
393.17215	7.1
393.22192	0.4
394.17456	1.2
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
59.01383	1.8
61.98844	0.6
70.63559	0.6
70.63934	0.8
78.95928	0.3
87.10131	0.3
98.19980	0.4
107.01550	0.3
116.83848	0.3
123.94601	0.3
130.04254	0.8
132.02173	0.3
145.02939	0.7
146.03754	1.6
152.99692	0.3
159.08084	0.3
160.01683	9.6
161.02174	0.4
173.02382	0.5
174.03230	15.6
175.03571	1.1
178.02838	0.3
203.07146	100.0
204.07478	7.4
204.09378	0.3
215.18326	0.3
255.23189	0.3
365.91833	0.3
393.17041	16.3
394.17410	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1707
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	1.6
61.98808	0.8
78.18013	0.3
78.95906	0.9
98.20677	0.7
124.18179	0.3
130.04240	0.4
130.70026	0.3
145.02982	0.7
146.03722	1.1
152.99571	1.8
159.08231	0.4
160.01685	11.8
161.02144	0.7
173.02457	0.7
174.03252	16.1
175.03600	1.1
203.07152	100.0
204.07466	7.7
263.07083	0.7
329.82275	0.3
393.17062	20.5
394.17303	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	393.1708
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72776	0.1
58.77415	0.1
59.01371	0.5
61.98832	0.4
66.85407	0.1
67.62969	0.1
69.54987	0.3
69.55406	0.9
73.24080	0.1
78.95940	0.3
84.14009	0.1
94.51268	0.2
96.70586	0.1
96.96986	0.2
98.19920	0.2
117.03497	0.2
121.83720	0.1
127.91987	0.1
130.04251	0.6
132.02173	0.3
145.02951	0.5
146.03784	1.1
152.99602	0.4
159.08139	0.3
160.01674	9.0
161.02216	0.6
171.10402	0.2
173.02451	0.5
174.03232	14.7
175.03517	0.7
178.02762	0.3
203.07152	100.0
204.07480	6.8
219.00224	0.1
295.22839	0.6
393.17163	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.9
57.03447	100.0
58.03785	1.8
59.01377	91.2
60.01719	0.7
61.98832	0.9
69.44654	0.5
70.81647	1.4
71.01382	14.2
72.99324	0.6
73.02946	6.4
73.71612	0.5
74.45257	0.5
75.00890	0.9
81.03439	1.1
83.01392	4.2
85.02953	8.7
86.00108	0.6
89.02433	2.8
90.98608	0.6
95.01392	1.3
97.02985	0.5
99.00920	2.7
99.04528	83.4
100.04887	2.7
101.02454	35.4
102.02790	1.1
108.17773	0.5
113.02455	7.3
119.03461	0.6
121.02979	1.0
125.02467	22.6
126.02815	0.8
143.03529	2.5
159.03011	1.1
161.04556	6.0
249.13419	33.4
250.13705	2.7
257.66537	0.7
291.14359	3.3
331.17444	1.6
333.18942	0.6
365.08432	0.9
393.07883	1.7
393.17365	6.3
400.67865	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.0835
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	3.5
61.98829	100.0
64.11364	0.4
71.01382	1.1
71.67995	0.6
72.99310	0.5
78.95936	0.4
85.02980	0.4
88.04030	0.5
89.02473	0.5
96.96030	1.7
96.96983	0.5
113.02473	0.5
113.07313	0.5
123.04527	2.4
133.01479	0.5
134.03748	0.4
135.04588	0.8
149.02492	1.1
167.03421	0.5
179.03583	0.8
191.05698	1.0
192.05942	0.7
193.05124	0.5
210.95149	0.5
236.51622	0.4
248.73592	0.4
255.23289	0.8
307.83899	0.4
329.08701	2.9
330.09003	0.4
355.19437	0.5
392.04822	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.0836
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	4.6
61.98830	100.0
71.01391	1.5
71.56567	0.5
73.02943	0.5
74.02486	0.4
85.02978	0.5
87.00922	0.4
89.02468	0.7
96.97021	0.4
99.00995	0.3
101.02481	0.7
113.02524	0.3
114.15027	0.3
116.92883	0.4
125.00727	0.9
128.03581	1.2
134.03775	0.4
135.04593	0.7
143.01765	0.9
143.04660	1.2
146.04646	0.4
180.04381	0.9
191.05666	0.8
193.05301	0.3
195.06676	2.5
209.95230	0.3
213.02342	0.5
228.92531	0.3
254.07861	0.6
255.23022	0.4
263.96646	0.4
272.08752	0.7
345.13620	0.4
354.01114	0.4
392.05051	0.3
392.15375	1.4
393.17743	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.0985
Annotation	Unknow
Peak:m/z	Relative Intensity
55.83152	0.4
59.01376	6.6
59.21656	0.4
61.98829	100.0
71.01394	1.7
71.66774	0.4
79.61004	0.4
79.97579	0.4
89.02479	0.5
89.42266	0.4
96.96013	0.7
113.02498	0.5
116.92863	1.1
133.02985	0.8
134.03784	0.9
135.04111	0.7
154.06422	0.5
177.01929	0.7
178.02516	0.5
193.27264	0.4
212.36566	0.4
222.59848	0.4
275.09140	0.5
276.09628	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	392.0988
Annotation	Unknow
Peak:m/z	Relative Intensity
58.19918	0.4
59.01381	9.0
60.01712	0.5
61.98832	100.0
66.21960	0.4
69.35444	2.4
69.35868	2.1
71.01389	1.9
73.02938	0.5
85.02956	0.5
87.00927	0.4
92.06525	0.4
96.96035	1.1
100.81005	0.4
101.02448	0.5
115.00385	0.9
122.71051	0.4
133.02905	0.4
134.03793	1.1
154.06256	4.1
155.06577	0.4
161.04543	0.4
186.03456	0.4
232.10747	0.8
269.64828	0.4
275.09286	0.8
276.09567	1.8
276.12762	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1982
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	21.0
58.00608	0.9
59.01381	100.0
60.01701	1.8
61.98831	2.0
71.01384	13.8
71.66283	0.7
71.66660	1.0
72.00931	3.0
72.50587	0.7
73.02960	2.4
73.04074	22.1
79.95760	1.0
82.06660	1.0
82.28778	0.7
83.01401	1.0
83.02526	1.9
85.02965	3.9
85.04057	0.9
87.00916	1.2
87.04528	0.8
87.32775	0.7
89.02448	14.6
91.05558	2.5
95.01437	0.7
96.96027	27.1
99.00928	0.6
99.04534	17.6
101.02457	11.3
106.06647	5.1
108.08188	0.6
109.48837	0.7
111.04417	0.6
112.05180	1.2
113.02461	5.5
113.03580	3.7
115.00414	1.4
118.06650	0.9
119.03526	6.4
120.01299	1.3
120.99664	0.9
125.02452	4.7
129.10338	6.4
130.06242	5.5
130.08800	1.7
133.01451	1.8
135.98370	0.7
137.09818	0.6
139.11342	1.4
141.10390	1.2
143.03560	2.3
143.11916	1.1
146.06151	0.8
147.04547	10.4
150.05637	3.4
151.08804	2.8
152.07190	3.7
155.08279	1.8
161.04581	2.8
164.07188	25.8
165.07553	1.6
166.08807	0.8
168.06596	0.8
168.11444	9.4
169.09731	0.7
169.11813	0.7
179.05585	3.2
181.16646	0.6
183.13829	0.6
186.12492	12.0
187.07681	2.3
194.04724	1.6
203.10674	1.0
225.13571	13.2
226.11906	1.5
226.13931	1.1
229.14450	1.7
231.10202	0.9
233.16628	5.0
234.17169	0.7
243.12363	3.6
243.14693	1.6
244.12933	0.7
247.11829	2.6
255.08972	0.8
259.14661	0.9
275.09256	7.0
277.15640	3.2
278.15726	0.7
283.08313	0.7
290.18735	2.4
296.07663	0.8
331.05103	1.1
331.17581	2.5
346.06122	0.7
347.21054	3.4
349.05957	9.7
356.09869	4.8
357.14713	1.0
374.17371	1.1
391.07117	16.2
391.19916	72.9
391.27594	2.7
392.07611	1.8
392.20285	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	391.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61214	0.2
59.01380	100.0
60.01716	1.2
60.15665	0.2
60.76832	0.2
61.98835	0.7
62.67874	0.2
68.50912	0.2
69.65264	0.2
71.01385	3.6
78.95913	0.3
87.00957	0.2
89.02449	0.3
98.20606	0.5
101.02479	0.4
105.03493	0.4
115.00407	1.2
117.03497	0.7
120.93915	0.2
133.02975	1.5
134.03764	3.7
135.04558	3.3
145.03043	0.2
161.02490	0.3
162.03238	1.7
177.02036	0.5
178.02751	0.8
193.24698	0.3
225.78563	0.2
231.10300	1.8
275.09235	9.4
275.76678	0.2
276.09738	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
60.01711	1.4
61.98830	1.1
69.78696	0.7
69.79111	0.5
71.01384	3.4
73.02955	0.2
73.04076	0.5
74.74665	0.2
78.87425	0.2
78.95924	0.2
79.44341	0.1
86.53302	0.2
96.96008	0.2
97.06606	0.2
98.19932	0.2
100.20827	0.2
101.02467	0.4
105.03480	0.4
112.99766	0.1
115.00391	1.1
115.05139	0.8
121.03044	0.2
133.02988	1.3
134.03757	3.4
135.04543	0.6
137.02509	0.2
154.06291	0.2
161.02449	0.3
162.03212	1.4
164.07196	0.6
177.02002	0.8
177.10350	0.2
178.02771	0.6
205.29788	0.2
231.10229	2.3
275.09232	8.4
276.09647	0.7
302.15982	0.2
311.16479	0.2
391.10867	0.3
391.21472	0.3
392.15955	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87907	0.3
56.05085	0.3
59.01379	100.0
60.01716	1.3
61.98830	13.7
66.32232	0.3
71.01390	4.2
71.70029	0.5
73.02953	0.6
74.99133	0.3
79.95718	0.5
93.04604	0.4
96.96026	3.1
101.02443	0.8
102.93201	0.3
105.03487	0.5
112.47661	0.3
115.00418	1.3
133.02974	1.9
134.03778	3.0
135.04538	1.1
137.02533	0.4
154.06258	1.6
155.06654	0.7
162.03276	1.2
177.01942	0.4
178.02731	0.7
231.10329	2.5
243.14316	0.7
275.09207	9.5
276.09589	0.8
305.16324	0.3
391.10559	3.0
391.17679	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.21
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11393	1.2
53.65102	1.4
55.60979	1.4
57.03445	3.0
59.01379	58.6
61.98830	37.8
68.25606	1.4
69.03457	7.1
71.61599	1.8
71.71418	1.4
80.91693	4.0
83.01419	1.6
83.05036	3.1
93.03439	1.7
95.05025	1.4
97.02960	41.2
97.06596	6.8
99.92597	2.6
109.06606	1.9
111.08189	2.3
115.92091	1.7
121.02921	1.4
125.09757	3.6
137.09737	10.5
163.11285	4.0
165.09152	1.6
165.12856	10.7
170.85672	1.8
171.10301	12.7
179.14467	2.0
181.12299	3.1
183.13911	1.5
191.14525	1.3
193.08501	15.9
193.12331	6.6
207.10057	4.7
209.11856	3.4
211.13417	2.0
215.10501	3.7
227.12917	3.9
233.11588	11.8
245.11584	16.3
247.20668	4.6
259.09448	1.8
261.11044	5.1
273.18661	2.6
287.16409	2.6
291.19647	58.4
292.19937	8.8
309.20721	100.0
310.21060	13.1
313.17883	6.4
323.06094	1.7
331.18863	12.6
332.19290	2.6
359.45120	1.7
375.17685	2.1
391.20972	39.7
392.21432	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	390.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
54.92728	0.3
59.01380	5.7
61.98830	100.0
62.98526	0.3
70.39169	0.3
70.78794	0.7
70.79147	0.5
76.49570	0.4
79.95734	0.5
94.11002	0.3
96.96009	2.0
110.48530	0.5
119.05045	1.1
145.06212	0.6
152.69101	0.4
163.04012	1.9
196.50671	0.4
289.83334	0.4
354.19623	0.5
388.56650	0.4
390.16489	0.4
391.17969	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.0804
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34589	1.1
57.03447	1.5
59.01105	1.9
59.01381	24.1
61.98827	3.3
63.76484	1.1
66.14906	1.0
69.78542	2.9
69.78972	5.5
71.01380	7.3
73.02945	2.3
85.02950	3.3
85.50558	1.1
89.02448	2.8
96.96022	10.2
97.02953	3.3
101.02460	5.3
104.81915	1.0
105.07088	1.7
109.46478	1.2
113.02439	3.4
113.03610	4.1
114.05614	1.4
119.03530	1.3
128.03540	1.1
143.98619	1.2
149.06116	6.2
159.10262	1.1
161.04602	2.1
167.10776	4.6
193.05077	100.0
194.05391	4.8
229.14235	1.2
242.64388	1.2
255.08896	1.5
275.64807	2.0
333.16000	1.4
347.20691	1.5
349.05966	5.1
391.07672	6.0
391.19760	7.7
391.26871	1.7
400.97806	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.0804
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34589	1.1
57.03447	1.5
59.01105	1.9
59.01381	24.1
61.98827	3.3
63.76484	1.1
66.14906	1.0
69.78542	2.9
69.78972	5.5
71.01380	7.3
73.02945	2.3
85.02950	3.3
85.50558	1.1
89.02448	2.8
96.96022	10.2
97.02953	3.3
101.02460	5.3
104.81915	1.0
105.07088	1.7
109.46478	1.2
113.02439	3.4
113.03610	4.1
114.05614	1.4
119.03530	1.3
128.03540	1.1
143.98619	1.2
149.06116	6.2
159.10262	1.1
161.04602	2.1
167.10776	4.6
193.05077	100.0
194.05391	4.8
229.14235	1.2
242.64388	1.2
255.08896	1.5
275.64807	2.0
333.16000	1.4
347.20691	1.5
349.05966	5.1
391.07672	6.0
391.19760	7.7
391.26871	1.7
400.97806	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.0953
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	84.6
61.98832	100.0
68.99849	3.0
71.01382	3.6
71.05023	5.5
71.71589	4.8
75.52361	2.5
79.95750	7.9
89.02464	3.5
96.95999	20.5
127.00403	2.6
132.28400	2.8
134.03755	64.2
135.04041	4.6
137.09802	3.2
149.06131	2.7
163.03975	4.9
171.10306	18.2
193.05064	60.9
194.05365	3.5
200.87704	2.6
204.89554	2.5
205.15846	2.6
207.17635	2.6
224.36580	2.7
251.16452	3.8
255.23251	3.0
291.19583	13.8
309.20685	15.1
331.18579	5.1
391.17859	12.4
391.21869	6.3
413.82336	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10668	0.3
51.49530	0.3
52.39272	0.3
57.03469	0.3
59.01379	100.0
60.01711	1.0
70.98757	0.9
71.01384	4.3
72.99319	0.4
73.02956	0.6
79.95740	1.6
80.96545	0.9
85.02963	1.4
89.02445	5.3
96.96022	22.6
97.02996	0.4
99.37196	0.3
101.02450	3.0
112.43060	0.3
113.02443	1.5
119.03513	2.8
134.04727	0.4
143.03511	0.5
153.50914	0.3
161.04559	1.5
164.98647	1.5
179.05667	1.8
180.98174	0.5
184.69225	0.3
214.93697	0.3
241.00287	0.7
275.09219	0.4
315.89987	0.3
331.04984	0.9
331.17508	1.7
349.01715	0.6
349.05981	13.2
350.06412	1.1
391.07028	10.1
391.19766	0.7
391.27206	0.4
392.07321	1.3
407.02005	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
56.21518	0.4
59.01382	2.4
61.98831	100.0
62.98533	0.4
71.01404	0.3
71.70586	0.6
71.70927	0.3
142.05389	0.3
223.13478	0.5
347.24234	0.3
389.19693	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.1978
Annotation	alfuzosin
Peak:m/z	Relative Intensity
57.03442	1.2
58.00591	0.5
59.01378	29.5
59.28707	0.4
59.44847	0.4
60.01706	1.0
61.98835	3.0
70.02969	1.0
70.92435	1.4
71.01382	8.7
72.00910	2.0
72.01721	0.8
72.04552	3.8
73.02941	2.0
74.02476	100.0
75.00877	0.9
75.02794	0.6
83.01386	1.1
85.02960	2.8
85.06586	0.5
87.00889	0.7
87.74729	0.4
89.01930	0.7
89.02450	5.5
90.02740	0.6
94.55731	0.5
95.89400	0.5
96.96010	0.5
97.02934	0.5
98.02498	2.4
98.06132	2.0
99.00901	0.5
101.02451	6.2
112.07715	1.1
113.02445	3.5
114.91260	0.4
116.03552	45.1
117.03954	1.0
118.05124	8.0
118.98133	0.6
119.03529	1.9
121.02988	0.5
122.03752	0.5
123.04546	1.8
134.03740	1.2
150.03209	1.5
160.06219	3.7
161.04550	1.8
165.05563	2.2
165.12831	1.6
179.05620	1.0
193.05066	2.1
195.06676	1.0
197.98674	0.4
207.13805	0.7
209.11864	3.9
225.14998	3.0
226.15337	0.6
227.12900	8.0
236.09335	0.8
264.16086	1.1
266.13956	1.9
269.13843	1.0
282.17056	1.3
284.15018	4.0
287.15067	5.4
326.16150	2.4
326.19452	0.7
328.17740	0.8
341.10397	0.9
344.17157	23.1
345.17749	1.7
370.18768	2.0
388.19797	81.4
389.19092	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	389.1641
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	4.2
56.59611	1.7
56.79013	1.9
56.98036	2.2
57.03449	6.7
58.87627	1.8
59.01373	27.0
61.36292	2.1
61.98834	40.6
67.01874	2.3
68.99810	3.1
70.87573	2.2
70.87927	5.7
70.99609	11.8
71.01388	26.7
72.97536	15.6
72.99311	7.3
73.01168	2.2
74.99107	50.9
75.00878	28.2
83.01397	8.2
85.02948	13.7
86.99119	13.6
87.00880	5.9
88.97043	7.2
89.02489	2.3
98.99136	2.4
99.00888	34.6
100.97043	46.3
102.98605	58.3
111.00903	23.6
112.98828	64.1
114.98610	70.9
115.00352	5.8
124.98821	2.3
126.98630	2.0
128.95657	4.0
128.96547	39.9
129.01956	16.6
135.03009	65.0
135.04034	3.5
142.99875	54.9
143.00914	4.2
143.57599	2.2
144.99678	3.5
145.01451	6.2
146.04588	4.9
173.00920	100.0
174.01318	2.1
180.30698	2.3
206.99693	56.7
213.81070	2.2
227.14525	2.6
251.16594	4.0
252.47420	2.1
271.13815	3.4
297.63763	2.2
327.63065	2.4
386.29980	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	389.182
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81833	0.2
54.76465	0.2
56.53958	0.2
59.01380	100.0
60.01705	1.2
61.98826	1.0
70.72579	0.3
70.78878	0.6
71.01390	1.1
73.02965	1.0
83.01407	0.4
84.34323	0.3
85.02956	0.4
89.02480	0.6
96.96021	1.2
101.02467	1.0
113.02486	0.6
119.03532	0.3
183.13924	0.4
186.67403	0.3
202.41310	0.3
227.12907	1.4
228.13150	0.3
231.12466	0.3
259.13632	0.3
389.12836	0.3
389.18167	0.3
389.25797	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2464
Annotation	Unknow
Peak:m/z	Relative Intensity
56.73273	12.5
59.01377	100.0
61.98829	52.6
65.48179	13.2
70.01692	44.2
70.02103	32.0
72.75362	14.1
107.35719	14.5
131.62477	13.2
150.55051	13.6
165.89655	13.5
193.86934	13.9
260.66037	15.5
281.11099	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	389.2465
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38221	15.8
59.01373	100.0
59.13016	15.8
61.98822	59.6
67.07500	14.2
80.96510	28.8
81.92830	14.5
97.46972	16.0
139.97710	14.7
161.68503	16.7
197.11711	19.7
390.19742	26.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
56.55155	0.5
61.98830	100.0
62.99234	0.4
65.15688	0.4
70.99771	1.2
82.77733	0.4
103.96554	0.4
152.62738	0.4
165.22174	0.5
288.04755	0.4
291.96088	0.5
327.21945	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2305
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01361	36.2
61.98817	62.0
65.21775	15.5
69.71879	23.9
69.72277	100.0
71.73212	14.0
111.00879	20.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2753
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82003	0.5
56.76985	0.5
59.01378	100.0
60.01699	1.2
61.98837	1.9
69.51611	5.6
206.13109	0.5
251.20351	0.8
300.83688	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2753
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
60.01701	1.6
61.98838	5.6
63.33656	0.9
69.52935	8.3
91.22923	0.9
98.19888	2.0
102.52612	1.0
116.92873	1.7
124.59851	1.0
231.80614	1.1
250.78990	1.1
253.21745	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	387.2753
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48691	0.4
59.01378	100.0
59.29089	0.5
60.01720	1.2
61.98832	6.6
71.72216	0.7
75.80991	0.6
113.01569	0.5
113.51516	0.5
124.20396	0.5
152.69878	0.5
192.81989	0.5
235.20705	0.9
253.21721	10.3
254.22050	1.1
317.16418	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.0887
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	0.7
61.98830	100.0
62.36796	0.2
69.21387	0.2
69.94398	1.2
71.01398	0.5
98.52737	0.3
102.98599	0.5
122.36861	0.2
174.16920	0.3
210.48564	0.3
221.97592	0.2
239.29585	0.3
389.18555	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.1249
Annotation	Unknow
Peak:m/z	Relative Intensity
54.59335	0.3
54.84977	0.3
57.03443	0.5
59.01105	0.6
59.01376	7.6
60.01720	0.5
61.01802	0.7
61.98829	100.0
62.49247	0.4
65.52230	0.3
69.49160	3.0
71.01393	1.8
73.02975	0.4
86.03312	0.4
89.02466	0.9
91.05690	0.4
96.45586	0.4
101.02468	1.2
102.98599	0.6
113.02480	1.0
117.80918	0.4
164.08002	0.4
165.05644	0.6
191.05609	0.8
253.03806	0.6
294.12762	0.3
353.08893	0.5
382.36044	0.4
383.61972	0.4
388.16885	4.4
389.17880	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
55.23534	0.2
59.01372	1.3
61.98828	100.0
66.60668	0.2
69.87421	0.4
69.87824	1.2
76.15414	0.2
78.95922	0.8
98.20554	0.3
121.02990	0.2
129.66391	0.3
133.45529	0.2
134.03793	0.7
137.61700	0.2
151.00339	0.3
171.10330	0.3
193.05139	0.2
209.11922	0.5
211.13420	0.9
212.13818	0.6
229.14496	0.2
230.14806	0.3
233.11649	0.9
234.11940	0.3
236.39253	0.2
281.70309	0.2
325.20410	0.5
329.23288	1.2
330.23575	1.6
344.12061	0.2
351.21732	0.5
352.21857	0.6
388.11325	1.9
388.19272	2.5
389.18884	2.6
396.09369	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2308
Annotation	Unknow
Peak:m/z	Relative Intensity
57.33224	27.0
59.01374	75.4
61.98826	100.0
68.24819	23.0
68.90164	26.2
70.94269	27.3
71.51850	55.9
105.76220	29.2
106.18605	27.3
119.35078	25.0
352.49054	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	387.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	2.7
56.68150	0.3
56.99810	0.3
57.03451	3.0
58.00589	2.9
59.01379	100.0
60.01718	1.6
61.98831	8.5
69.03471	0.3
71.01385	54.7
71.60219	0.5
72.01726	1.0
72.99304	3.2
73.02949	8.6
73.04680	0.2
75.00882	0.6
81.03452	0.4
83.01392	4.8
84.70477	0.3
85.02959	17.1
87.00887	3.1
87.04507	0.3
89.02453	43.7
90.02782	0.4
95.01388	4.2
97.02965	0.7
99.00885	4.2
101.02452	39.2
102.02800	0.8
106.04253	0.3
109.06615	0.4
111.00890	0.3
113.02464	24.8
114.02791	0.9
119.03521	20.9
120.03883	0.4
121.02988	0.4
121.06622	0.3
121.10763	0.3
123.04521	1.5
123.08165	0.7
124.76752	0.2
125.02458	1.1
125.09753	0.3
129.01959	0.4
130.08749	0.4
131.03552	2.0
143.03511	3.8
149.02440	0.4
149.04587	1.6
151.04001	1.7
159.03004	3.5
159.10228	0.2
161.04576	18.1
162.04909	0.5
163.11327	2.1
165.05608	2.4
165.09229	9.3
166.06337	0.8
166.09598	0.5
179.05630	6.0
179.07185	0.4
191.05563	0.8
195.13924	1.8
197.47993	0.3
205.03473	0.5
207.10294	1.2
210.05276	0.8
225.07724	3.0
225.11420	0.3
225.14944	4.2
333.34433	0.3
343.19989	0.4
387.16254	10.5
387.20117	30.9
388.16556	1.5
388.20956	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	387.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	38.1
59.54491	2.2
61.36207	2.2
61.98830	15.4
67.51788	2.6
71.01379	20.3
71.66726	5.1
72.99312	21.4
75.00878	15.3
87.00883	3.9
89.02453	21.4
94.81696	2.3
99.00898	11.2
108.50054	2.4
112.98827	9.3
115.00414	2.6
117.01946	21.1
121.02951	3.8
124.01621	3.2
124.98779	4.0
134.03731	4.5
135.03020	15.0
142.99878	100.0
149.05986	2.8
173.00923	27.8
174.01704	22.4
181.15987	12.1
193.15903	4.9
195.17549	4.7
205.15910	6.3
209.15459	6.3
219.17508	2.9
221.15431	3.3
223.17021	7.2
231.11629	3.1
233.15440	9.0
237.14870	14.1
250.15445	2.9
251.16528	25.5
265.18146	4.8
267.15833	2.4
269.17673	3.6
277.14310	3.0
297.17136	3.3
309.17029	30.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1661
Annotation	Tuberonic acid glucoside
Peak:m/z	Relative Intensity
55.01886	0.7
57.03439	1.2
58.00589	1.4
59.01375	100.0
60.01706	1.9
61.98827	24.8
71.01380	26.0
71.30242	1.2
72.01707	0.5
72.99325	1.2
73.02951	2.3
75.02426	0.4
83.01394	1.4
85.02955	4.9
87.00877	1.2
89.02446	22.2
95.01390	1.8
99.00861	0.8
101.02445	14.2
109.06625	0.6
113.02457	10.6
114.02831	0.6
119.03513	8.0
123.04549	0.7
129.44142	0.4
130.08775	1.0
131.03500	1.0
143.03502	1.2
146.78307	0.5
149.04556	0.9
151.03998	1.1
159.02979	0.7
161.04567	8.2
163.07680	1.1
163.11285	4.6
164.04749	0.5
165.09232	12.6
166.06439	0.6
166.09543	0.8
170.80231	0.5
179.05524	2.5
205.03287	0.5
207.10239	6.0
209.04327	0.5
210.05563	0.5
223.06032	0.9
224.06517	0.5
225.06319	0.6
225.07767	0.8
225.14847	0.7
226.07037	0.6
233.56635	0.4
327.14337	1.0
357.21454	0.6
387.16537	48.7
387.20511	2.2
388.16861	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	387.1913
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	5.3
61.98832	100.0
71.01395	1.8
71.71178	1.7
91.01902	1.7
92.92927	1.3
96.99304	3.4
99.08159	3.6
102.89231	1.1
108.02203	1.2
109.02946	4.4
117.03458	1.2
123.04532	2.8
127.11278	2.4
134.03758	24.9
135.04495	1.4
139.11372	1.8
145.02945	1.6
146.03743	5.4
147.04482	3.6
148.01663	1.8
149.06087	5.2
157.08881	1.1
158.03693	2.9
159.04523	8.4
161.06131	3.1
163.04073	1.8
165.12836	3.7
171.10335	5.8
173.06061	1.7
176.01279	1.5
178.02771	2.1
183.13940	4.4
193.05099	8.1
193.08463	1.4
202.36374	1.2
209.11794	3.2
211.11490	1.9
211.13400	27.1
212.13779	2.4
221.11435	1.5
229.14461	21.4
230.14787	1.6
231.10025	2.1
233.11601	22.1
234.11900	2.0
249.11107	2.9
251.12793	7.5
266.05798	2.3
267.06589	3.3
268.07489	1.3
281.08270	7.8
282.08810	2.0
283.09805	2.2
284.10422	2.1
295.06076	4.5
310.08463	4.6
325.10645	3.2
329.23340	56.5
330.23737	5.5
343.11929	4.1
351.21509	16.0
352.21884	1.8
369.09540	1.9
387.05765	2.0
387.11044	55.5
387.19141	86.4
388.11209	5.1
388.19608	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	387.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72064	0.2
53.33631	0.2
55.01876	2.3
57.03447	2.9
58.00589	3.0
59.01376	100.0
60.01710	1.1
61.98831	7.6
71.01382	55.6
71.71014	0.3
72.01720	0.8
72.99309	3.6
73.02946	8.6
73.04070	0.2
75.00871	0.7
75.39733	0.3
80.58419	0.2
83.01392	4.7
85.02954	17.3
86.03328	0.3
86.51965	0.2
87.00871	3.3
89.02448	45.0
90.02794	0.5
95.01391	4.4
95.01952	0.2
96.95979	0.3
97.02958	1.1
99.00897	3.6
101.02449	40.3
102.02802	0.7
106.04241	0.3
109.06557	0.4
111.00883	0.6
113.02457	26.0
114.02782	0.7
119.03510	21.1
120.03819	0.6
121.02943	0.7
121.06602	0.4
123.04523	1.6
123.08148	0.6
123.30150	0.2
125.02477	0.7
129.01901	0.3
130.08739	0.5
131.03528	2.0
143.03505	4.1
149.02415	0.3
149.04601	1.3
151.04024	1.4
151.11301	0.4
159.02989	3.1
161.04568	18.7
162.04820	0.8
163.11310	2.1
165.05589	2.3
165.09213	10.0
166.06288	0.7
166.09451	0.8
175.64359	0.2
179.04138	0.4
179.05614	5.7
181.08629	0.3
191.05632	0.3
195.02727	0.3
195.13846	1.8
205.03477	0.5
207.10294	1.6
207.13684	0.3
210.05278	0.7
222.04208	0.2
223.06155	0.3
225.07733	3.2
225.14951	4.6
255.91492	0.3
327.10770	0.5
327.14526	0.3
370.21399	0.3
387.16235	11.7
387.20074	31.8
388.15787	1.4
388.20914	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	387.1662
Annotation	Tuberonic acid glucoside
Peak:m/z	Relative Intensity
55.01623	0.2
55.02196	0.2
55.19271	0.2
57.03430	0.4
59.01376	2.2
61.98813	0.5
69.03448	0.3
71.01375	1.7
71.27106	0.5
73.02945	3.1
73.66270	0.2
75.43677	0.3
83.01419	0.3
84.83366	0.2
85.02503	0.2
85.02937	1.3
87.00883	1.4
89.02464	0.5
92.28860	0.2
95.05045	1.8
96.96008	1.8
97.02935	0.4
99.00907	0.3
101.02444	0.9
107.04993	0.5
113.02437	0.3
113.06081	0.3
117.01885	0.3
121.06637	0.3
125.02429	0.3
141.01967	0.2
161.04610	1.2
161.09735	0.4
163.11299	4.6
179.05597	1.0
181.12360	40.5
182.12694	2.7
207.10246	1.2
225.11320	100.0
226.11662	7.2
266.70428	0.3
335.61246	0.2
336.47842	0.2
387.16675	41.4
388.17007	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	387.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	0.4
58.00586	0.3
59.01108	0.3
59.01379	4.1
61.98823	0.4
71.01378	2.7
71.21863	0.4
72.99303	0.2
73.02569	0.2
73.02956	2.6
80.02665	0.2
83.01420	0.3
85.02953	2.3
89.02437	1.8
93.03427	0.3
95.01396	0.5
95.05042	1.7
96.96056	0.2
101.02448	1.6
102.84767	0.2
107.05014	0.3
109.06606	0.7
111.08150	0.4
113.02469	3.6
114.02759	0.2
119.03522	0.3
121.06618	0.3
123.04541	0.5
126.18031	0.2
131.03508	0.2
137.06093	0.3
143.03531	0.4
161.04610	0.4
163.11320	3.8
164.11586	0.2
177.12868	0.2
179.05559	0.3
181.12364	15.0
182.12663	1.0
195.13924	0.4
205.12341	0.6
207.10283	0.8
212.74139	0.2
223.13432	1.1
225.11325	100.0
226.11659	6.7
249.11295	3.1
250.11656	0.2
267.12335	1.9
272.81982	0.2
327.14560	0.5
387.16586	2.2
387.23883	0.4
409.15924	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	1.7
56.24164	0.3
57.03447	2.3
58.00598	2.1
59.01380	100.0
60.01717	0.9
61.98827	4.2
68.47862	0.3
70.07661	1.5
71.01387	42.0
71.05009	0.3
72.01732	0.6
72.99303	2.0
73.02955	6.8
75.00864	0.4
83.01390	4.1
84.67343	0.3
85.02957	12.3
85.81059	0.2
86.03273	0.4
87.00885	2.5
87.95090	0.3
89.02454	30.4
90.02802	0.6
95.01399	2.2
95.05035	0.3
96.51516	0.2
97.02950	0.8
99.00900	3.1
101.02457	29.0
102.02794	0.5
106.04237	0.6
113.02464	18.1
114.02806	0.4
119.03524	16.1
120.03859	0.5
121.02957	0.7
121.06606	0.9
123.04536	3.9
123.08131	0.5
125.02440	1.0
127.00417	0.7
129.01964	0.3
131.03539	1.4
135.04552	0.4
139.00392	0.3
143.03548	3.2
149.02412	0.3
149.04634	1.7
151.04024	3.1
159.03033	2.6
161.04575	16.7
162.04814	0.5
163.11308	2.2
164.04738	0.3
165.05585	8.5
165.09229	15.9
166.06351	2.3
166.09508	1.0
179.03403	0.3
179.04047	0.3
179.05626	3.8
179.07076	0.6
185.52046	0.3
189.00394	0.6
191.05600	0.4
195.03023	0.4
195.13976	1.4
195.15367	0.3
205.03477	0.5
207.10161	0.6
210.05434	1.5
223.05907	0.7
225.07770	5.2
225.14940	3.0
257.69830	0.3
259.09781	0.9
327.10577	0.8
327.14221	0.6
387.16055	11.6
387.19910	21.9
388.16418	1.1
388.20929	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	385.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11402	0.3
53.07816	0.3
54.80243	0.3
59.01376	100.0
60.01709	1.1
61.98833	0.6
65.13215	0.3
69.56445	2.2
71.01382	0.4
89.02457	0.3
98.19899	0.6
122.69238	0.3
124.98830	0.4
142.99864	0.8
266.74548	0.3
385.15466	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.2596
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
59.92495	1.4
60.01699	1.4
61.98840	3.3
69.36202	3.7
69.36611	9.9
85.02975	2.1
98.19910	1.9
163.91386	1.4
200.70399	1.5
227.91360	1.3
249.18565	27.3
250.18817	2.1
299.21048	1.3
299.25696	1.8
337.24417	1.7
342.31592	1.7
355.24792	3.1
385.19946	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	386.0727
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04598	0.2
53.37473	0.2
57.03456	0.3
59.01376	2.2
61.98830	100.0
70.63217	0.4
70.63586	0.3
71.01381	0.7
72.99311	0.2
74.02518	0.2
75.98544	0.2
78.95930	0.4
85.02950	0.3
87.00920	0.2
89.02451	0.9
93.03500	0.2
96.96062	0.3
99.00867	0.2
101.02473	0.7
109.02961	0.2
113.02488	0.3
116.07162	0.3
119.03522	0.5
121.02987	0.6
122.03276	0.2
127.00366	0.3
128.03551	0.2
131.28035	0.2
134.04771	0.4
141.03046	0.2
149.02469	1.2
150.02765	1.2
151.04066	0.2
161.02492	0.7
162.02824	0.8
163.02992	0.3
163.07619	0.3
164.03398	0.3
164.04814	1.1
165.05246	0.8
179.07047	1.0
180.07529	1.0
191.05620	0.5
193.01413	0.5
194.01791	0.3
208.03799	1.2
209.04167	1.6
223.06096	2.5
224.06474	3.6
257.26544	0.2
301.06104	0.2
323.13531	2.3
331.94012	0.2
341.11063	0.4
342.57013	0.2
387.17001	0.6
387.22345	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.0753
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	0.4
58.00620	0.3
59.01378	7.9
61.98832	1.9
66.90810	0.2
69.03445	0.4
69.82059	1.7
69.98305	0.2
71.01384	3.7
71.05035	0.4
72.99313	0.8
73.02944	3.5
73.46847	0.3
79.62090	0.3
80.02689	0.5
81.03490	0.4
83.01398	0.7
83.05061	0.2
85.02950	1.9
87.00886	4.4
89.02438	2.5
93.03447	0.4
95.01412	0.5
95.05026	3.1
95.89603	0.3
96.96015	0.9
97.02949	0.5
98.95612	1.6
98.96442	0.4
99.00892	1.1
99.69942	0.2
99.92593	22.9
100.92605	1.3
100.93375	1.2
101.02464	2.6
104.26790	0.3
107.05038	0.9
107.08707	0.3
108.04568	0.5
109.06614	0.7
113.02444	1.2
114.94942	2.4
115.91236	0.3
115.92089	21.8
116.92872	100.0
117.01919	0.8
117.92888	5.7
117.93650	0.6
118.78169	0.2
119.03516	0.8
121.06625	0.6
121.10242	0.3
125.02458	1.0
135.98372	0.3
137.04303	0.8
141.01915	0.4
153.97337	0.4
158.93930	2.4
159.02956	0.4
160.04060	0.7
161.04567	3.9
161.09738	0.6
163.11305	5.9
164.11641	0.3
165.09206	0.4
169.93098	0.4
170.97589	0.3
174.93466	0.3
175.93492	0.2
177.04169	0.3
177.96744	0.4
179.05618	7.6
179.10863	1.0
180.11128	0.4
181.12369	12.2
182.12724	1.0
182.97734	0.3
188.03574	0.4
189.00456	0.3
197.96233	0.4
198.97064	0.3
204.02994	0.4
207.10252	1.3
218.04541	0.7
225.11317	38.2
226.11662	2.1
227.12889	0.6
241.14455	0.4
252.00989	0.4
263.07315	1.5
264.07632	0.3
265.05478	0.6
265.08405	0.5
267.11392	0.6
268.05157	0.9
272.53757	0.3
281.05185	1.1
283.11044	0.4
287.15033	0.4
289.15555	0.3
295.06882	0.7
296.90237	0.2
307.06439	22.8
308.06573	2.9
311.10370	4.7
312.10840	0.4
325.07355	1.5
325.10703	1.0
327.05292	0.3
328.07251	0.7
337.08267	0.7
339.05701	0.3
341.10919	0.7
351.05698	0.7
355.09369	1.7
356.09723	0.3
369.06607	1.3
387.07556	26.4
387.16513	20.1
387.24139	0.4
388.07788	4.2
388.16928	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1983
Annotation	Unknow
Peak:m/z	Relative Intensity
57.62510	0.5
59.01381	3.4
61.98830	100.0
71.61615	0.7
74.02483	1.6
85.02950	1.0
89.02392	0.5
90.59059	0.5
96.96001	0.5
99.92621	0.6
101.02434	0.6
102.19378	0.6
112.37977	0.5
130.08777	3.9
145.33766	0.5
170.38565	0.5
180.05977	0.6
186.03293	0.6
322.20255	2.6
335.43982	0.5
385.16910	1.1
386.24982	0.6
390.83878	0.5
394.56601	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	2.1
56.16607	0.2
57.03452	3.3
58.00594	2.6
59.01379	54.6
60.01709	0.8
61.98828	6.2
67.01869	0.2
69.03460	0.8
70.10524	0.2
71.01385	69.4
71.05029	0.2
71.66034	0.4
72.01706	1.1
72.99309	3.0
73.02952	11.8
75.00874	1.1
79.95742	0.3
81.03458	0.5
83.01396	4.6
83.05034	1.2
84.02174	0.4
85.02958	21.9
86.03292	0.4
87.00874	2.9
89.02451	31.4
90.02809	0.7
95.01400	4.8
95.05037	1.8
95.95235	0.2
96.96021	28.2
97.02956	5.2
97.06591	0.4
98.13029	0.2
99.00889	5.4
99.04547	0.4
101.02454	34.4
102.02796	0.9
105.07122	1.1
107.05050	1.1
108.05831	2.5
109.02972	0.8
109.06624	1.8
111.00845	0.2
111.04526	1.0
111.08166	0.8
113.02462	26.9
113.06108	3.4
114.02779	0.6
119.03517	10.7
120.03773	0.3
121.02979	0.3
121.06603	0.7
122.03732	1.8
123.04576	0.3
123.08179	4.3
124.05315	0.2
125.02480	1.1
125.06093	2.9
129.01981	0.8
131.03503	1.5
135.08185	0.9
136.05336	3.9
137.06163	1.6
138.06886	22.3
139.07686	11.0
139.08632	0.2
140.08029	0.4
143.03520	3.1
145.96925	0.2
147.08163	0.5
149.04581	0.8
149.06126	1.0
150.06856	0.2
151.07666	24.8
152.04890	2.4
152.08452	46.1
153.09230	100.0
154.09567	5.7
159.03017	4.8
161.04572	23.7
161.09755	0.6
162.04903	0.7
163.07658	0.8
163.11301	3.5
165.09225	2.6
167.07166	2.2
170.05925	0.2
179.05618	3.1
179.07028	0.4
187.11299	1.0
189.00673	0.3
189.09262	1.3
190.02693	0.5
190.09985	1.9
205.03453	0.5
205.05128	0.6
205.12340	33.3
206.12686	2.4
223.13393	22.8
224.13760	1.7
229.12349	0.3
253.43228	0.2
256.99710	1.3
377.52435	0.3
385.11728	18.7
385.18665	9.1
386.12024	1.8
386.18878	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	385.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	14.6
59.01381	100.0
60.01696	0.5
61.98788	0.5
69.54147	2.9
69.54563	1.2
71.01391	5.3
73.02959	1.4
85.02954	3.2
93.03473	1.0
95.01415	0.6
96.96044	1.0
98.19884	0.6
99.00884	1.0
101.02453	3.7
113.02465	3.5
121.02954	3.0
132.84032	0.5
135.04578	1.6
149.02461	20.5
150.02812	0.8
152.01134	3.3
161.04575	9.5
163.04062	2.5
163.07669	36.9
164.04817	16.2
164.08037	2.2
165.02008	1.0
165.05186	1.0
169.05103	1.7
175.00420	1.4
179.07141	4.8
190.02832	1.6
193.01442	9.9
193.03056	0.9
205.05135	2.5
208.03786	18.6
209.04088	1.2
223.06126	50.7
224.06462	3.2
255.62413	0.5
257.00562	0.5
267.07230	0.6
287.26260	0.6
325.13110	0.8
384.68695	0.6
385.11646	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	385.1506
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.01711	1.2
61.98840	0.5
70.07090	0.5
70.07500	1.0
71.01391	1.0
73.02956	0.9
81.43963	0.2
83.01377	0.4
85.02972	0.3
87.02795	0.2
89.02473	0.7
101.02460	1.0
113.02449	0.6
114.05858	0.2
119.03514	0.2
135.11813	0.4
161.04619	0.3
179.05669	0.2
179.10789	3.3
179.12254	0.3
183.69135	0.2
223.09821	0.9
223.13487	0.2
238.94791	0.2
361.46619	0.3
385.11334	0.3
385.15472	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57747	1.5
58.02960	1.8
59.01377	72.9
61.98833	21.7
71.01382	12.7
71.61380	1.8
73.02942	2.1
75.00864	1.5
83.01399	1.7
83.97334	1.3
85.02937	2.4
87.00893	2.3
89.02461	2.5
90.72321	1.5
96.96011	7.1
101.02457	2.6
109.06596	1.9
113.02508	1.3
115.00390	8.1
116.07160	7.8
119.03541	1.5
121.02950	1.3
125.02482	2.2
133.01439	3.7
135.03018	3.0
137.02467	3.3
142.99825	2.8
158.00404	1.5
158.08278	2.7
161.04587	1.8
163.06267	1.3
163.07646	3.5
165.12816	5.8
173.00896	3.7
174.01665	7.4
207.13867	6.9
209.11833	8.5
211.13382	3.9
223.13434	3.3
225.15048	3.9
251.12796	3.9
269.13931	100.0
270.14261	9.4
343.10529	6.9
367.13748	2.6
385.11804	6.0
386.16943	1.8
386.21460	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	385.1326
Annotation	Unknow
Peak:m/z	Relative Intensity
56.98025	2.2
57.03445	1.9
58.99595	5.7
59.01375	13.7
61.98835	13.7
69.27527	15.4
70.42918	1.2
71.01379	6.7
75.00893	1.5
82.99622	4.0
83.01396	1.8
85.01173	1.4
85.02944	2.9
87.00874	1.4
96.96048	1.9
98.19942	2.8
102.98604	37.1
110.99119	77.5
111.02742	1.5
111.99448	2.3
113.00668	2.4
120.99654	6.8
137.02419	10.2
139.02277	1.7
143.01738	100.0
144.02084	3.6
150.03235	6.5
154.60463	1.7
165.01929	4.0
189.09236	9.1
191.10786	6.1
193.06972	1.6
195.04713	1.6
195.08479	4.0
221.11829	7.0
223.07951	17.8
223.13339	1.6
224.08130	1.6
255.10600	53.5
256.10980	4.9
287.05588	1.7
291.12469	1.8
299.10168	1.4
309.12564	1.5
311.09637	2.0
385.12698	1.5
400.24237	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1326
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95385	1.3
53.72785	1.3
54.22192	1.2
56.18968	1.5
56.98030	3.6
58.99595	5.5
59.01371	12.9
60.22977	1.4
61.98835	9.9
65.85955	1.7
68.31932	1.4
71.01375	5.9
71.69767	2.8
73.02926	1.7
75.00878	74.2
75.98642	1.5
77.58389	1.5
82.99608	3.4
85.01199	1.7
85.02925	2.3
87.00896	3.5
89.02425	1.8
96.96049	4.1
97.02946	1.5
101.02468	1.8
102.98605	47.6
110.99120	86.3
111.02798	1.9
111.99413	2.0
117.03845	1.4
120.99666	10.2
128.67209	1.5
143.01741	100.0
144.02101	3.7
154.06264	3.0
155.06683	1.8
159.04532	3.3
160.05330	12.0
163.00690	1.8
173.04544	2.6
175.07672	2.7
189.09210	11.1
191.10815	7.9
195.08418	4.0
211.13359	2.7
219.06606	4.6
221.06412	1.6
221.11853	9.2
223.07991	18.6
255.07901	3.5
255.10573	57.8
256.10947	6.1
309.20731	3.6
385.12399	2.4
385.22525	7.2
390.06128	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	385.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19173	0.6
51.25295	0.4
54.20866	0.5
57.03463	0.6
59.01378	100.0
60.01719	1.1
61.98839	1.1
67.38538	0.5
70.35360	1.1
70.35751	0.9
71.01385	3.6
71.05016	0.8
73.02963	1.9
78.95907	0.8
83.01403	0.9
85.02965	2.1
87.00889	0.7
89.02431	2.4
93.03484	0.7
96.96021	17.2
96.96986	1.0
97.93168	0.6
101.02466	2.0
104.20349	0.5
110.33739	0.5
110.99619	0.5
111.04562	0.7
113.02476	2.3
113.92673	1.4
114.93391	3.6
123.08238	0.5
125.02502	0.6
135.11806	4.9
137.02493	1.0
159.11877	0.5
161.04614	1.5
161.09731	3.9
174.99289	0.8
177.12834	0.6
179.05675	1.7
179.10785	31.5
179.14351	1.0
180.11180	1.9
203.10793	2.4
221.11839	0.7
222.45030	0.5
223.09761	17.1
223.13431	1.3
224.10106	0.9
227.12959	1.6
265.07602	1.5
265.10742	1.2
287.14954	6.3
288.15314	0.9
305.06863	0.9
325.09647	0.6
385.07965	0.7
385.15472	3.3
386.15762	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1143
Annotation	1-O-Sinapoyl-beta-D-glucose
Peak:m/z	Relative Intensity
57.03449	15.0
58.03752	0.4
59.01379	100.0
60.01720	1.2
61.98838	1.2
68.09761	0.5
70.43792	1.5
71.01383	7.0
72.96578	0.5
73.02954	1.8
83.01411	1.0
85.02944	2.9
87.00864	0.4
89.02468	1.9
93.03478	1.2
95.01417	1.0
97.02939	0.6
99.00885	1.0
101.02446	4.8
109.02921	0.5
113.02464	3.2
119.01407	1.1
119.03486	0.8
121.02970	4.7
127.00354	0.8
135.04553	2.7
136.05284	0.5
143.03494	0.9
147.00909	0.7
149.02458	29.3
150.02838	1.6
152.01180	5.0
153.25505	0.4
153.86880	0.4
159.02995	1.3
161.04576	9.4
163.04063	3.8
163.07664	34.4
164.04808	26.6
164.07938	2.1
165.01959	2.0
165.05115	1.7
167.03566	0.7
169.05122	2.8
171.30476	0.5
175.00371	6.6
176.00815	0.5
179.05582	0.5
179.07150	8.9
180.07698	0.6
181.05060	0.6
181.08679	1.2
189.00336	0.5
190.02730	18.9
191.03140	1.3
191.05598	0.6
193.01422	13.3
194.01680	0.5
205.05069	25.2
206.05453	2.3
207.06511	0.5
208.03778	30.2
209.04106	2.1
221.08131	0.8
223.06117	82.3
224.06433	4.7
247.06120	1.4
265.07217	1.5
325.09265	0.7
325.12823	0.7
385.11276	2.8
386.11703	0.6
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
59.01378	100.0
60.01715	1.1
61.98846	0.7
70.88034	2.4
71.01397	1.0
73.02950	1.1
74.59809	0.8
83.01402	1.7
83.49792	0.6
89.02428	0.9
99.00907	1.5
117.39555	0.7
127.00410	2.3
154.99846	1.2
163.11264	4.7
173.00974	1.6
189.00453	1.8
207.10287	2.2
279.23242	6.2
297.24362	37.7
298.24814	3.7
307.27747	0.9
339.25409	24.2
340.25711	3.5
383.22162	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	385.1143
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49838	0.5
50.57188	0.5
55.01892	0.7
57.01439	0.4
57.03445	6.4
58.00591	2.0
59.01379	42.7
61.98822	1.0
65.03958	0.7
69.03458	1.5
69.82137	3.6
71.01385	30.1
71.05025	0.8
72.01691	0.6
72.99316	3.4
73.02952	2.8
74.02457	0.6
75.00878	5.1
78.99261	0.5
81.03464	0.5
83.01390	2.1
84.02179	0.6
84.42649	0.5
85.00175	0.5
85.02953	14.3
87.00879	4.0
89.02450	30.7
91.05522	4.1
93.03482	0.7
95.01392	2.6
96.96031	0.6
97.02962	1.7
98.48964	0.5
99.00892	2.6
99.04533	0.9
101.02455	100.0
102.02792	2.9
103.00386	0.9
105.07103	0.6
113.02466	18.4
114.02758	0.5
117.01952	0.6
117.03441	1.0
119.03524	12.7
122.03760	0.6
123.04521	1.2
127.00423	0.7
129.01924	0.6
131.03502	1.5
131.05038	1.0
132.05811	2.5
135.04555	2.3
143.03552	2.6
143.08694	4.7
149.04565	1.5
161.04533	2.5
161.09738	6.3
162.10173	0.6
175.02405	0.6
179.05646	5.2
179.10777	0.8
181.08720	5.5
187.07661	1.4
205.08734	3.8
207.59846	0.5
249.06133	10.0
267.07196	26.7
268.07477	1.3
341.56018	0.6
367.14041	3.2
368.14014	0.6
385.11279	9.4
385.15103	11.4
385.19827	1.2
386.11386	1.1
386.15726	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1141
Annotation	3'-O-beta-Glucopyranosyl plumbagic acid
Peak:m/z	Relative Intensity
57.03446	23.1
57.13454	0.6
59.01387	1.7
60.01701	0.6
68.82542	0.5
69.40286	0.6
69.96851	3.2
70.49828	0.6
71.01408	0.6
74.59326	0.6
77.63059	0.5
85.02978	0.7
93.03486	1.1
98.19814	0.6
101.02477	0.7
109.02985	2.4
119.05053	0.8
121.02977	25.3
122.03323	1.0
135.04564	2.4
149.02460	47.7
150.02802	2.8
152.01178	2.8
163.04037	3.7
164.04810	49.4
165.01967	0.7
165.05153	3.5
169.05110	1.9
171.20018	0.5
173.90608	0.5
173.96935	0.5
179.07156	100.0
180.07497	7.2
193.01425	7.5
208.03784	19.8
208.05780	0.7
209.04195	1.4
223.06125	85.4
224.06456	5.7
251.05504	0.6
265.07080	0.6
341.12451	5.9
385.11398	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	383.2075
Annotation	Perseanol
Peak:m/z	Relative Intensity
53.37597	0.3
55.01881	1.8
57.03444	2.0
59.01367	1.1
64.09814	0.3
66.79294	0.3
68.99812	2.0
69.03457	1.0
71.01381	5.0
72.99308	0.8
73.02953	1.6
76.80370	0.3
80.02683	0.5
80.92541	0.3
81.03468	0.6
83.01388	4.9
83.05024	0.5
85.02953	3.0
87.00872	0.9
97.06578	0.4
98.19920	0.6
99.00892	3.0
101.02442	0.8
108.02199	0.9
111.00894	0.9
122.03769	1.4
124.98801	0.8
127.00399	0.5
129.01947	0.6
134.03693	0.4
136.01653	0.6
138.03244	0.5
142.99866	1.8
154.72609	0.3
154.99890	3.5
173.00896	2.6
174.01677	2.3
189.09091	0.4
197.19003	0.5
207.17442	1.6
209.19110	3.4
221.19110	1.9
223.20680	1.1
225.22173	0.6
235.20679	1.9
237.18771	2.1
237.22224	25.7
238.22499	2.6
241.19389	0.4
241.58113	0.4
247.20778	2.3
249.18555	3.4
249.22188	1.1
250.18701	0.4
251.20146	1.4
263.20169	1.3
265.18097	2.7
265.21704	5.8
266.21960	0.7
275.20190	0.7
277.18106	1.3
278.18750	0.5
281.21350	0.9
291.19858	0.5
293.21274	1.2
309.17145	1.4
309.20663	2.2
310.10806	0.4
320.77670	0.4
339.21649	2.4
353.19815	0.8
383.20740	100.0
384.21060	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	383.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14443	0.6
59.01378	100.0
60.01728	1.9
64.80027	0.6
68.72652	0.6
70.86968	2.0
71.82339	0.7
105.46529	0.6
117.67382	0.6
122.00979	0.6
134.55125	0.6
267.07037	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
60.01716	0.9
61.38989	0.6
71.04438	1.8
93.38682	0.6
113.42003	0.6
117.10830	0.7
154.99934	1.9
164.41408	0.5
173.00987	3.2
174.01624	0.8
351.18774	0.7
352.94156	0.6
385.16382	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1498
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	1.8
59.01376	9.9
61.98838	13.8
71.01363	4.6
71.72267	2.2
73.02940	6.7
75.00893	2.5
83.01395	5.6
87.00877	2.6
89.02458	3.2
93.04579	5.4
99.00888	5.6
101.02473	4.2
106.27955	1.9
108.02150	2.6
113.02443	3.7
121.03036	2.2
123.04517	3.6
127.00366	10.8
137.03561	2.7
150.03294	2.3
154.06226	31.8
155.06573	9.0
165.05588	2.0
189.00409	8.6
193.10265	3.9
200.32921	1.9
208.49789	1.9
209.09787	13.4
211.07623	2.1
223.07503	3.0
224.08377	8.2
225.08900	1.9
226.10086	2.0
235.07602	4.5
236.08369	22.8
237.09198	38.0
238.09598	4.3
239.10912	2.3
249.09157	4.1
251.10767	17.1
262.78210	2.3
265.12283	3.1
277.12405	5.2
278.13086	7.5
279.13870	40.4
280.14658	86.1
281.14978	11.0
295.17020	100.0
296.17300	9.8
323.09711	3.1
339.15948	45.5
340.16284	7.4
391.35220	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2076
Annotation	Perseanol
Peak:m/z	Relative Intensity
50.66781	0.6
55.01878	4.5
59.01374	1.6
62.35807	0.5
64.08597	0.7
68.99814	1.3
69.03437	0.7
69.60548	3.8
69.60966	1.1
71.01382	9.0
72.99307	2.0
73.02943	1.3
80.02677	0.7
83.01385	9.4
85.02955	1.9
87.00872	1.1
96.99298	0.9
98.19941	1.3
99.00882	4.4
108.02197	1.3
111.00872	1.6
112.98842	1.0
115.00391	0.8
122.03754	2.5
123.00930	0.7
124.97961	1.0
124.98818	10.9
127.00366	2.7
127.66552	0.6
129.02089	0.6
136.01660	1.2
137.72975	0.6
138.03255	3.5
142.99870	22.7
143.69496	0.5
144.00230	0.6
151.00385	1.0
154.99879	53.3
156.00171	2.1
173.00919	60.5
174.01579	3.6
175.03642	0.6
195.38765	0.6
207.17525	1.1
209.19124	8.0
221.19156	0.7
223.20700	1.3
233.19020	0.7
235.20651	2.5
237.18686	2.9
237.22217	6.1
239.20113	0.8
247.20624	1.7
249.18611	1.1
249.22231	1.5
251.20227	3.5
253.21704	3.4
263.20172	2.1
265.18237	3.6
265.21619	4.1
275.20038	0.7
277.17984	0.7
277.21671	0.7
281.17545	0.8
281.21323	2.1
291.19611	0.8
293.21292	1.1
305.17578	3.3
309.17108	19.2
309.20654	2.2
310.17389	2.3
321.20645	6.0
335.18469	2.1
339.22049	0.7
353.15274	1.1
353.19675	22.3
354.20160	3.0
361.97360	0.6
383.20746	100.0
384.21021	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	383.0983
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15796	0.3
55.01874	0.8
57.03443	2.4
59.01377	14.2
71.01385	0.9
71.26506	0.5
73.02945	13.9
74.03288	0.3
83.01389	9.8
84.01668	0.3
87.00874	0.9
88.98782	0.3
95.92030	0.3
99.00889	9.2
99.91602	0.3
101.02438	0.7
117.01989	0.5
117.03450	0.6
123.04515	0.6
127.00387	23.8
128.00684	0.7
133.02960	2.4
134.03767	0.4
142.99866	1.6
145.01399	0.3
161.02452	100.0
162.02805	5.2
162.04039	0.2
170.99324	0.5
189.00415	20.3
190.00729	0.9
199.52654	0.3
270.95633	0.3
331.54980	0.3
363.87039	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1459
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49520	1.8
55.01880	2.5
57.03439	7.9
59.01378	83.6
61.98833	18.4
66.16954	2.2
69.50311	6.7
69.50740	12.7
69.63667	2.7
71.01385	60.2
72.00922	9.9
72.01247	2.0
72.99300	3.9
73.02953	56.6
74.02469	11.7
75.00892	2.7
78.61418	2.0
78.95881	1.9
83.01394	38.4
85.02943	5.5
87.00871	6.7
87.05545	1.9
89.02455	70.3
95.01363	3.1
99.00886	34.3
101.02461	27.5
111.79079	2.4
113.02452	19.3
115.04107	2.0
116.05078	37.9
116.92870	6.6
117.01947	3.8
119.03523	14.3
119.05021	15.9
127.00390	79.4
128.00623	2.1
131.03525	5.3
133.02951	2.8
134.03799	4.0
134.04744	9.3
142.06633	12.1
142.99872	5.2
143.03514	6.5
144.04552	4.6
149.04556	3.2
159.09241	6.3
161.02460	27.8
161.04536	10.2
163.04068	11.8
167.03548	2.9
170.99236	2.4
174.05626	2.8
179.05647	22.2
185.02223	9.2
186.05515	2.5
189.00417	79.5
190.00758	2.6
203.08281	100.0
204.08542	6.2
205.03603	2.2
323.10001	3.0
323.17047	9.2
341.10928	3.2
347.07068	2.5
383.05234	6.2
384.11664	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1498
Annotation	Unknow
Peak:m/z	Relative Intensity
58.85353	1.5
59.01382	14.2
61.98839	7.3
64.54469	1.7
66.82817	1.6
71.01376	6.0
71.61994	2.1
73.02950	8.2
75.00878	2.0
83.01402	4.7
88.54858	1.8
89.02458	3.5
99.00913	3.7
101.02440	3.4
102.05613	1.7
103.17664	2.0
108.02215	2.4
121.02998	2.2
123.04527	4.8
127.00430	8.9
131.08292	3.8
134.03769	2.0
151.15172	1.9
154.06256	12.1
155.06593	4.6
174.08888	2.7
189.00452	6.8
193.10284	6.0
209.09705	11.3
211.07687	2.4
212.39758	1.8
223.07724	4.9
224.08340	8.7
226.10063	3.7
235.07562	5.5
236.08447	21.8
237.09181	35.8
238.09496	3.4
249.09254	2.1
251.10800	18.6
277.12363	5.3
278.13055	6.3
279.13892	31.3
280.14685	100.0
281.14996	9.1
293.15408	3.1
295.17038	97.9
296.17343	10.5
339.16019	45.0
340.16354	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	382.162
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	0.3
58.02979	0.3
59.01379	1.4
61.98830	100.0
62.98535	0.2
70.23677	0.5
71.01383	0.5
72.00906	0.3
73.02941	0.4
77.93749	0.2
89.02496	0.3
89.95052	0.2
91.05563	0.3
127.00402	0.4
129.10356	3.7
130.68796	0.2
147.04550	1.3
154.08742	0.5
164.07169	3.4
171.11385	2.3
189.00426	0.4
189.01950	0.6
190.02295	0.6
218.05954	0.7
219.06261	0.8
233.16631	1.8
319.16650	10.1
320.16827	1.2
323.10010	0.2
382.12381	0.5
382.17273	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.2713
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04684	0.3
59.01382	1.3
61.45002	0.2
61.98839	1.2
67.03011	1.0
67.07798	0.2
70.33059	1.2
71.01379	0.7
72.00907	2.1
73.02950	0.8
78.95903	0.4
80.03799	0.6
81.04589	1.7
83.01385	0.6
86.51606	0.3
88.70860	0.2
93.04589	12.7
96.95995	0.3
99.00889	0.6
101.02440	0.4
102.05618	0.4
108.05690	2.0
109.04095	1.5
110.07259	3.9
113.02451	0.5
118.04146	0.7
118.48046	0.2
127.00399	1.2
130.08736	2.5
130.70313	0.2
134.03667	0.4
135.24193	0.2
136.05148	1.6
137.03586	10.8
140.04651	0.3
154.06238	100.0
155.06622	3.4
176.41214	0.2
189.00456	1.0
277.04138	0.3
341.10806	0.4
364.25974	3.1
382.22653	1.5
383.14246	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.062
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78231	0.5
55.01863	3.1
57.03449	10.1
59.01379	2.5
67.27584	0.5
71.01380	4.3
71.47121	1.3
73.02950	62.7
74.03284	1.1
75.00881	0.7
75.65600	0.6
83.01393	44.4
84.01724	2.1
87.00886	2.6
95.09254	0.5
99.00890	40.6
100.01226	0.8
101.02448	2.6
117.01964	1.6
127.00389	100.0
128.00735	3.3
129.99059	0.6
134.03766	2.1
137.85173	0.6
142.99872	6.3
145.01457	1.9
161.02448	1.8
170.99356	2.2
189.00420	88.4
190.00714	3.2
291.14691	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.192
Annotation	Cinncassiol C3
Peak:m/z	Relative Intensity
50.03531	0.2
57.03441	0.3
58.00590	1.6
58.18418	0.2
59.01382	2.3
61.98815	0.8
69.03430	0.3
71.01376	0.9
71.71062	0.4
71.71448	0.3
73.02948	1.2
75.22431	0.2
81.89603	0.2
85.02963	0.6
86.28864	0.2
87.04520	2.0
94.60192	0.2
95.05029	0.5
96.96017	1.3
97.02944	0.3
99.04539	0.3
113.02460	0.2
113.06094	4.1
121.43063	0.3
125.09693	0.7
137.09737	2.5
145.67332	0.3
152.25554	0.3
153.09242	0.4
154.32790	0.3
177.01920	0.5
181.08743	1.7
190.02672	0.3
191.14386	0.5
199.09837	0.3
204.07222	0.3
217.15973	0.6
219.06708	0.5
219.17549	0.3
231.17635	0.3
235.13510	0.3
239.14287	0.6
242.41124	0.3
243.17535	0.5
245.19012	0.7
255.17407	0.3
256.17792	0.3
257.15463	7.2
257.18591	0.3
258.15884	0.4
261.18573	0.3
263.20151	0.9
271.17029	0.5
273.18561	4.7
274.18820	0.6
275.16595	1.7
275.19293	0.2
283.17084	0.5
289.18079	1.0
291.19675	1.9
301.18124	1.1
303.16119	0.4
317.17480	0.3
319.19116	3.9
320.19452	0.3
331.94177	0.3
335.18619	32.4
336.18988	3.9
337.20151	2.2
345.17224	0.4
363.18130	27.3
364.18463	4.0
381.19193	100.0
382.19522	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	382.1005
Annotation	Succinyladenosine
Peak:m/z	Relative Intensity
54.13900	0.2
57.03437	0.8
59.01137	0.3
59.01381	2.5
61.98832	3.3
67.65173	0.2
70.77105	0.5
70.77439	0.3
71.01384	9.7
71.01781	0.5
73.02948	4.9
75.00863	0.3
81.24561	0.3
83.01385	3.3
89.02459	0.9
92.02563	0.8
96.96014	0.5
96.96984	0.3
99.00881	3.7
101.02455	0.7
107.03658	2.5
113.02484	0.5
115.00386	14.5
119.03638	0.7
119.05044	0.9
125.34583	0.2
127.00391	8.0
133.03967	0.8
134.04742	100.0
135.03116	0.2
135.05190	3.0
135.06749	0.5
142.99902	0.5
143.03510	0.3
145.01387	0.3
158.06093	0.4
159.01494	0.2
160.06290	0.5
161.02466	1.6
161.04605	0.3
162.07867	9.2
163.04033	0.4
185.02336	0.3
188.05801	1.2
189.00412	7.4
196.72998	0.2
201.03041	0.2
206.06834	31.3
207.07162	1.7
232.04681	0.6
248.35979	0.3
250.05817	3.6
251.06056	0.4
266.08939	4.9
267.09268	0.5
364.08875	0.4
382.10059	34.6
383.05496	0.3
383.10318	4.3
406.12534	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
53.98370	0.3
56.50904	0.3
59.01378	100.0
60.01706	1.4
61.98830	1.9
67.02560	0.3
71.01384	2.7
71.69762	0.3
72.99311	0.2
73.02959	0.9
74.99104	0.9
80.25677	0.2
81.65683	0.2
83.01414	0.4
85.02943	0.4
87.00871	0.4
89.02446	1.6
94.26009	0.3
96.96056	0.3
97.02975	0.2
101.02454	1.7
106.80510	0.2
113.02486	1.1
115.00378	0.3
119.03534	0.4
121.02946	0.3
133.06577	0.3
135.04561	0.4
136.99184	0.9
151.31271	0.2
159.04572	0.6
161.04651	0.5
175.07695	0.5
176.01245	0.5
177.01933	3.9
177.05682	0.5
201.05579	2.4
203.07127	0.3
219.06657	0.9
219.10287	0.3
239.36279	0.3
293.17807	0.4
321.06039	0.3
321.19064	0.4
335.14301	0.3
345.15561	2.3
381.08054	0.5
381.12140	0.5
381.19409	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01646	0.1
55.01878	1.1
56.98027	0.1
57.03453	1.2
58.00587	0.5
59.01375	12.6
60.01720	0.2
61.98820	0.6
63.96225	0.3
68.99835	0.1
69.03455	0.4
71.01382	11.4
71.55343	0.2
72.01731	0.2
72.99313	1.1
73.02949	6.7
73.98302	0.2
74.99098	5.4
75.00865	0.5
77.03991	0.2
81.03469	0.2
82.32764	0.1
83.01389	3.1
85.02956	6.5
85.06598	0.2
86.00108	0.3
86.29696	0.1
87.00877	0.9
88.98827	0.3
89.02449	2.2
90.52903	0.1
90.53535	0.1
93.03465	1.0
95.01395	1.2
95.05016	0.4
97.02963	0.7
99.00887	2.9
99.04521	0.3
101.02450	13.3
102.02793	0.1
105.03461	0.8
108.02172	2.1
111.00897	0.4
113.02460	4.4
114.02781	0.2
115.04023	0.3
117.03462	0.4
117.97338	0.2
120.02168	0.4
121.02964	1.7
123.04542	1.7
125.02435	0.8
129.01944	0.5
131.03520	0.9
132.02232	0.4
133.02980	2.3
135.00963	0.1
135.98373	0.5
136.99164	6.4
141.01941	0.1
143.03487	0.6
147.04553	0.2
148.01662	1.0
149.02469	2.0
149.04427	0.2
157.08760	0.2
159.03011	1.0
161.02489	2.7
161.04567	4.0
162.02789	0.2
162.04889	0.1
175.04022	0.4
175.07661	5.4
176.01166	13.8
176.07993	0.3
177.01941	100.0
178.02284	5.5
179.00009	0.1
201.05646	0.6
201.07318	0.1
205.03513	0.3
219.02997	0.3
219.06616	1.6
220.06961	0.2
233.06631	0.6
245.15810	0.4
249.13414	20.5
250.13739	1.6
267.01224	0.1
293.12198	0.2
293.17810	0.7
321.06155	5.5
322.06613	0.6
339.07190	0.8
381.08264	19.0
381.17548	20.8
382.08530	2.5
382.17822	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	381.1193
Annotation	Uncinoside A
Peak:m/z	Relative Intensity
57.00083	0.2
57.83333	0.3
59.01379	2.7
61.98837	2.7
64.27692	0.3
71.01408	0.6
71.69984	0.6
72.99336	0.4
74.78599	0.2
75.11176	0.3
82.92293	0.3
85.02989	0.4
87.00881	0.3
87.58583	0.3
96.96041	0.9
101.02493	0.3
103.05563	0.4
115.07714	0.3
117.03515	0.9
123.04523	0.3
132.02200	0.5
133.02985	0.3
134.03767	0.3
137.82721	0.2
138.82358	0.2
145.02953	0.6
146.03772	1.2
147.04544	1.1
159.04509	0.5
161.02448	5.6
162.02811	0.6
173.06134	0.6
174.06827	0.3
175.07652	2.1
175.11301	0.6
176.01155	0.4
177.01990	0.4
189.01942	74.9
190.02299	4.1
199.04012	0.8
201.05634	0.5
203.03467	1.3
205.05080	0.6
205.08669	0.4
218.05840	100.0
219.06219	8.1
251.65088	0.3
261.07587	0.7
289.08676	0.3
299.01953	0.3
300.02502	0.4
307.09732	0.4
318.05341	0.6
333.07388	0.5
351.08795	1.8
365.10110	0.5
366.11038	0.4
381.11957	41.1
382.12344	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	381.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	4.0
55.91674	0.3
57.03450	3.8
58.00603	1.3
59.01379	35.3
60.01723	0.5
61.98839	0.6
69.03448	1.1
70.28765	1.5
71.01389	49.6
72.01713	0.8
72.99313	2.2
73.02953	28.9
74.03283	0.5
74.99109	1.0
75.00869	1.9
79.09808	0.3
81.03448	0.5
83.01395	10.6
84.01720	0.3
84.02190	0.4
85.02961	27.0
85.06607	0.5
85.18101	0.4
86.00127	1.0
86.03311	0.5
87.00883	3.4
87.04508	0.4
87.08173	0.6
88.98849	0.5
89.02453	9.0
93.03480	0.9
95.01421	2.9
97.02963	2.1
98.20613	0.4
99.00892	10.5
99.04566	0.6
100.01225	0.4
101.02459	53.6
102.02786	1.0
105.03483	0.9
108.02189	1.2
111.00896	2.0
113.02467	18.9
114.02795	0.8
115.04033	1.6
118.78392	0.3
119.03519	0.5
119.04922	0.4
120.02171	0.7
121.02963	1.1
123.04523	1.2
125.02465	3.0
126.05249	0.4
127.00385	0.9
127.04076	0.3
129.01926	1.5
131.03532	2.7
132.34772	0.3
133.02997	1.8
136.99211	0.8
143.03558	2.2
148.01701	0.9
149.02438	1.0
149.04575	0.9
157.08734	0.6
159.03011	3.9
159.10266	0.4
161.04591	15.0
162.04884	0.8
175.07689	1.3
176.01180	7.2
177.01958	70.1
178.02287	3.7
189.00398	0.5
191.05678	0.4
205.03551	0.5
214.21341	0.3
215.05583	0.5
219.06749	0.4
233.06628	1.9
249.13429	87.0
250.13800	4.6
293.08835	0.9
293.12201	0.7
293.17841	0.8
321.06210	0.3
339.07550	0.5
381.08405	12.1
381.17664	100.0
382.08502	1.3
382.18011	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	381.1344
Annotation	Alisiaquinone B
Peak:m/z	Relative Intensity
54.65465	0.2
59.01381	2.4
61.98832	0.8
64.63843	0.2
68.59479	0.2
69.34492	1.8
77.28906	0.2
77.86891	0.2
78.95920	0.3
83.01416	0.2
83.85114	0.2
89.40032	0.2
92.90177	0.2
93.03452	0.4
96.96008	0.5
107.05038	0.3
108.02178	0.5
109.02991	0.3
117.03501	0.2
121.02985	0.9
123.04556	0.4
133.02971	0.3
134.03764	0.7
135.04605	0.3
136.05334	0.2
143.05013	0.2
145.02986	1.7
146.03752	11.7
147.04553	0.6
148.05370	0.2
149.06110	0.8
158.03741	0.4
159.04535	2.5
161.02481	1.6
161.06099	0.9
162.06876	0.4
164.04808	0.3
171.04498	1.1
173.06090	0.6
174.03217	0.3
175.07713	0.3
177.01970	0.6
189.01930	3.5
189.05617	0.3
192.04343	0.5
193.05034	0.7
199.04024	5.2
200.04448	0.4
205.05083	5.6
207.06647	1.4
217.04991	0.8
218.05824	5.4
219.06396	0.9
220.13438	0.3
227.07216	1.1
230.05861	0.3
233.05968	0.3
233.09821	0.3
235.11241	0.5
246.06665	0.3
247.07591	1.1
261.09250	0.9
263.10718	0.6
273.09109	0.3
277.08667	0.3
279.06812	0.3
279.10144	0.5
287.07199	0.4
289.05576	0.4
289.08694	2.3
290.05826	0.9
290.09268	0.5
291.06598	0.5
291.09900	0.2
292.07382	0.7
304.07349	0.3
305.08197	1.3
306.08722	0.5
307.06305	0.5
307.09680	2.9
308.10342	0.3
315.06506	0.3
317.04572	0.8
317.08261	0.6
318.05331	5.1
319.05685	0.5
321.11392	0.7
322.08539	0.5
322.12134	0.6
323.09137	0.6
332.06824	0.5
333.07639	5.0
334.08322	1.4
335.09210	1.2
337.10724	0.3
337.14429	3.0
338.14954	0.4
349.10773	1.3
350.07806	0.5
351.08728	15.7
352.09015	1.8
365.10281	2.6
366.11072	4.3
367.11398	0.4
379.11823	0.3
381.13428	100.0
382.13773	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	380.1479
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	3.1
61.98830	100.0
62.65284	0.5
63.47063	0.5
63.53861	0.5
67.33920	0.6
69.53317	5.8
71.21194	0.6
71.21580	0.6
98.19920	0.9
102.05625	0.8
129.12402	0.6
154.06219	1.1
177.02106	0.7
271.36053	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.0827
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96730	0.0
57.03425	0.1
59.01378	5.6
61.40809	0.0
63.96355	0.0
67.01888	0.1
71.01378	0.2
77.03976	0.1
93.03468	1.0
95.01389	0.2
95.05031	0.3
98.19872	0.1
99.04531	0.1
105.03470	1.0
108.02189	1.4
109.02502	0.1
109.06974	0.0
120.02174	0.6
121.02974	1.7
123.04539	1.3
124.04895	0.1
131.01401	0.1
132.02200	0.5
133.02982	2.5
134.03291	0.1
135.00859	0.1
139.04028	0.1
147.04567	0.1
148.01674	0.9
149.02460	1.9
150.02792	0.1
151.03987	0.1
175.04065	0.2
175.07719	0.2
176.01170	10.2
176.64307	0.1
177.01942	100.0
178.02280	5.3
178.99953	0.1
219.03029	0.1
276.94739	0.1
321.06219	0.4
322.06512	0.1
339.07266	0.6
340.07742	0.1
350.53745	0.1
381.08267	18.1
382.08603	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.0827
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	5.3
69.58195	0.3
69.58599	0.7
77.03967	0.1
93.03460	0.9
95.01395	0.2
95.05018	0.2
96.94636	0.1
105.03476	0.9
107.17792	0.1
108.02180	1.3
120.02190	0.6
121.02977	1.5
123.04548	1.0
132.02177	0.3
133.02994	2.5
148.01730	0.8
149.02444	1.6
175.04102	0.2
176.01163	10.7
177.01939	100.0
178.02277	6.0
178.03842	0.3
203.49347	0.1
321.06238	1.7
322.06293	0.2
339.07251	0.5
339.70367	0.1
381.08270	19.7
382.08621	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	379.1614
Annotation	3-Methyl-2-butenyl 6-O-alpha-L-arabinopyranosyl-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
55.01885	1.3
57.03452	0.7
58.00595	2.8
59.01380	100.0
60.01708	1.1
61.94139	0.4
61.98832	2.4
63.08180	0.4
69.03455	1.1
69.91319	0.4
71.01386	57.4
71.21214	1.1
72.01737	1.3
72.68933	0.4
72.99310	3.6
73.02954	13.8
75.00877	0.6
83.01391	3.6
85.02961	9.6
87.00868	2.3
89.02453	86.7
90.02805	1.4
94.06649	0.5
95.01391	2.7
96.96043	1.7
97.02967	1.8
99.00892	20.1
99.92610	3.6
101.02456	38.3
102.02785	1.0
113.02466	18.7
115.04012	1.4
115.92094	1.8
116.92904	1.4
119.03515	17.0
125.02465	4.5
129.03822	0.5
131.03523	13.0
134.06148	0.5
139.72527	0.5
142.94487	0.6
143.03511	3.5
143.95213	1.3
149.04575	40.3
150.04927	1.5
154.01450	0.8
155.10796	1.9
161.04588	4.3
171.10307	1.2
177.02019	0.7
179.05640	11.2
179.07219	0.6
181.08691	0.4
184.06091	0.7
191.05620	10.2
217.10829	5.3
221.06717	1.7
233.06667	1.2
241.00204	0.4
247.11880	4.4
248.12122	0.6
251.07726	3.4
261.08920	0.6
293.08768	0.8
299.00397	1.1
319.17654	1.0
335.13052	0.5
337.18680	0.8
341.10870	1.6
379.07889	2.5
379.16080	42.4
379.23718	1.4
380.16452	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	379.1614
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21989	0.4
57.03471	0.8
58.00602	0.6
59.01380	16.9
59.21216	0.4
61.98828	2.2
71.01383	3.5
71.70422	0.5
71.70825	0.6
72.99332	0.8
73.02987	1.2
77.15215	0.4
83.01420	1.1
85.02972	1.1
87.00923	0.9
89.02452	2.3
93.03465	0.6
96.96033	2.3
99.00903	0.5
99.04525	0.4
99.92616	1.3
101.02448	2.3
113.02469	1.8
115.92088	0.9
116.07275	0.6
116.92899	3.3
119.03511	0.6
122.06200	0.4
125.09732	0.6
127.00424	1.2
127.11330	1.1
137.09721	2.0
146.08276	0.5
153.09294	0.5
155.10793	20.2
156.11127	1.4
157.08757	0.9
161.04663	0.5
162.05629	2.7
166.02757	0.8
171.10284	22.0
172.10655	1.1
173.06145	0.4
175.47214	0.4
179.05611	0.7
179.07101	0.5
181.05095	1.4
184.04802	0.5
188.39799	0.4
189.00500	1.0
199.09814	4.6
201.11272	0.8
213.11374	1.6
217.10817	100.0
218.11177	5.9
231.12527	0.4
241.00157	0.6
241.10770	0.8
249.11732	0.7
259.11954	3.0
270.06497	0.5
281.09439	0.5
285.08801	3.1
287.06683	0.5
317.11301	1.4
319.14066	0.9
319.17618	0.4
341.10815	3.6
344.13257	1.0
361.15875	0.5
379.08417	2.8
379.15985	18.1
380.03137	0.5
380.07645	0.5
380.16687	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	379.1582
Annotation	DMH-1
Peak:m/z	Relative Intensity
53.72993	0.3
59.01368	0.5
61.98836	2.7
71.61343	0.7
84.93919	0.3
99.92591	78.5
100.90462	0.4
100.92606	3.9
100.93393	1.1
115.92088	36.5
116.92869	100.0
117.92899	5.0
117.93661	0.6
127.95749	0.5
132.92337	0.3
138.35393	0.3
185.99689	0.3
279.23346	2.0
280.23718	0.3
282.86600	0.3
317.15741	0.7
335.16772	1.3
347.25879	1.7
349.14954	0.5
361.14685	0.6
367.15866	0.5
375.12787	2.7
376.13193	0.6
379.15811	74.3
379.28513	23.1
380.16003	13.6
380.28983	2.1
389.10757	0.4
393.13770	3.7
394.13882	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	1.3
57.03448	100.0
58.00579	0.6
58.03784	2.2
59.01378	80.8
60.01693	0.7
61.98820	1.0
66.94849	0.6
69.49493	6.2
71.01386	13.4
72.22668	0.6
72.37297	0.5
72.99334	0.6
73.02955	7.1
73.25928	0.6
81.03465	1.3
83.01394	4.3
85.02959	8.4
86.00085	0.8
87.00903	1.4
89.02459	1.3
95.01434	1.5
99.00900	2.8
99.04532	76.1
100.04913	2.0
101.02454	34.4
102.02817	0.8
113.02451	6.4
125.02467	21.1
126.02851	1.2
143.03520	1.9
159.03030	1.1
161.04594	5.9
186.61140	0.6
195.91605	0.7
235.11873	33.0
236.12209	1.6
249.15265	8.7
276.31473	0.6
277.13007	2.7
297.11240	0.7
317.16016	1.6
319.16006	1.3
323.11636	0.6
331.93042	0.6
337.16962	1.8
379.15768	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	379.1188
Annotation	Rubrophen
Peak:m/z	Relative Intensity
53.71852	0.4
59.01387	2.6
60.93407	0.4
61.98838	4.3
63.81152	0.4
65.00324	0.6
69.30209	4.2
72.99300	0.6
81.03459	1.7
90.81956	0.4
93.03450	0.5
102.92071	0.4
103.46355	0.4
106.18265	0.4
107.43262	0.4
108.02155	0.7
117.03443	0.9
121.02956	1.2
123.04507	0.8
128.86366	0.4
134.03755	0.9
135.00954	0.4
145.02950	1.9
146.03758	5.3
148.67033	0.4
149.02478	2.8
151.02676	0.5
158.03763	0.7
159.04521	1.2
162.03212	0.8
171.04523	0.7
175.03983	0.7
190.02699	0.5
191.03542	1.2
199.04044	3.6
203.03519	10.6
204.04045	0.4
205.05074	0.6
212.27441	0.4
215.03517	1.4
225.05544	1.7
228.04305	1.2
234.06927	0.5
241.05148	0.5
262.06305	1.2
263.07126	0.9
277.08713	1.6
287.07132	0.9
288.07730	0.4
293.08203	0.9
303.06595	1.8
304.07446	0.6
305.08182	1.0
315.06445	1.0
320.06754	0.7
321.07657	2.7
331.06134	3.6
332.06674	1.3
333.07785	1.1
334.08429	0.4
347.05621	0.6
347.09338	1.1
348.06320	0.9
349.07190	20.4
349.10693	1.0
350.07675	3.0
363.08636	2.2
364.09549	4.3
365.09982	0.6
379.11871	100.0
380.12213	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	379.0806
Annotation	Unknow
Peak:m/z	Relative Intensity
56.23550	0.9
59.01380	11.2
60.08112	0.8
61.98816	2.7
66.64413	1.1
70.79550	2.3
70.79913	2.0
71.01382	3.3
73.71552	0.9
78.83798	0.9
88.05492	0.9
89.02449	4.8
96.10832	0.9
96.35197	1.1
101.02459	2.1
105.19123	1.0
108.35088	1.0
113.02494	1.7
116.92892	1.2
123.00879	1.0
135.04535	3.2
137.06097	1.5
149.02501	1.4
156.06775	1.1
163.04094	1.2
166.02728	36.6
167.03278	1.9
179.03465	1.0
179.05663	1.7
181.05080	100.0
182.05415	4.8
217.03014	2.4
273.49149	1.0
331.53439	0.9
341.10861	9.0
379.08310	7.8
379.16464	1.3
400.72635	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1187
Annotation	Rubrophen
Peak:m/z	Relative Intensity
51.88078	0.4
55.00803	0.4
59.01384	2.8
61.98826	1.4
64.45145	0.5
65.00317	0.6
68.07617	0.5
69.04736	0.4
71.01398	0.5
71.27758	1.1
75.00858	0.6
81.03461	1.2
108.02074	0.9
121.02965	1.4
123.04530	0.5
128.51038	0.5
133.02931	0.5
134.03770	1.5
136.01698	0.5
136.04082	0.8
140.61397	0.4
145.02939	2.9
146.03748	6.2
149.02472	3.4
150.03174	1.5
151.02617	1.3
154.14536	0.4
159.04506	1.3
162.03259	0.8
162.55084	0.4
163.03963	0.5
165.05573	0.8
169.12344	0.7
171.04604	1.4
190.02737	0.8
191.03517	1.2
193.06511	0.6
199.04007	4.8
203.03516	13.0
204.03918	1.1
205.05032	0.8
209.04520	0.7
212.04749	0.6
213.05550	0.8
215.03575	1.4
225.05577	1.7
228.04269	1.0
235.07568	1.1
247.07788	0.5
262.06308	0.8
263.07080	1.7
275.07086	1.1
277.08652	1.8
287.07092	1.4
288.16098	1.9
293.08157	1.7
303.06613	1.6
305.08185	1.4
315.06601	1.2
320.06982	1.0
321.07828	2.2
331.06113	4.9
332.06888	1.8
333.07556	1.4
347.05499	0.9
347.09338	1.6
348.06311	0.9
349.07156	25.6
349.10559	1.0
350.07483	2.5
363.08652	1.9
364.09476	5.7
365.10135	0.6
379.11865	100.0
380.12170	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	377.1455
Annotation	Lamiol
Peak:m/z	Relative Intensity
51.73338	0.4
57.51017	0.4
59.01380	100.0
60.01717	1.3
61.98834	1.5
70.97607	1.2
71.01386	3.6
72.40179	0.4
73.02956	13.0
73.03368	0.8
78.17689	0.3
85.02953	0.5
89.02457	1.4
95.05112	0.5
97.06607	10.3
101.02450	1.9
101.68104	0.5
111.04523	0.5
113.02499	0.9
121.06567	0.5
123.04545	1.4
135.04547	24.6
136.04887	1.6
141.05602	9.4
146.05815	0.4
153.09229	4.6
161.04643	0.6
171.10304	1.7
179.03470	2.1
179.05658	1.1
181.35217	0.4
197.08298	1.6
215.03238	0.7
215.09238	12.8
216.09505	0.9
231.08911	0.4
257.10226	0.4
275.11282	2.1
297.09769	1.4
341.08160	3.9
377.08835	1.4
377.14499	14.3
378.14926	1.6
385.11893	0.4
402.33026	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.2309
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	25.0
59.33697	0.9
61.57872	0.8
61.98825	1.2
71.01379	1.2
71.67371	1.1
93.42660	0.9
99.00869	1.2
99.92584	1.5
127.11317	1.0
171.10284	37.6
172.10625	1.7
209.07945	1.5
233.22891	0.9
249.22139	1.6
276.65027	0.8
277.21710	48.2
278.22122	6.1
295.22778	100.0
296.23105	13.3
317.20956	34.0
318.21317	3.7
335.21030	1.5
353.28455	0.9
361.19910	6.5
362.19989	1.3
377.23047	35.6
378.23270	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	378.1896
Annotation	Unknow
Peak:m/z	Relative Intensity
54.19390	0.2
59.01376	2.3
61.98829	100.0
69.45734	2.3
71.01411	0.2
78.37316	0.2
112.93521	0.2
140.82149	0.2
154.09932	0.3
180.03043	0.3
182.26187	0.2
197.64828	0.3
256.06735	0.3
267.64221	0.3
275.20349	0.6
289.67838	0.2
293.21155	0.3
378.18961	7.1
379.19308	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1427
Annotation	Go 6976
Peak:m/z	Relative Intensity
59.01366	0.8
61.98834	3.2
62.90396	0.2
70.03670	1.3
81.13641	0.2
84.93879	0.4
88.06973	0.2
91.00967	0.2
98.20625	0.3
99.92594	78.3
100.90461	0.7
100.92612	4.5
100.93384	1.7
115.92091	41.3
116.92873	100.0
117.92890	5.3
117.93681	0.5
120.89169	0.2
131.91582	0.6
132.92345	0.3
139.15538	0.3
229.01732	0.3
277.21777	1.8
278.22296	0.3
279.22339	0.6
282.05585	0.5
290.06079	0.7
299.05896	0.8
308.07104	2.0
309.07584	0.6
312.95441	0.3
315.14276	0.9
333.15326	1.0
341.11105	0.4
359.13080	1.6
373.11151	3.1
374.11557	0.8
377.14258	52.5
377.30194	1.2
378.14478	8.8
387.09094	0.4
388.09454	0.3
391.12140	5.1
392.12433	1.0
399.16663	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	15.6
60.99306	12.8
61.68792	0.6
70.78259	1.5
71.01380	2.8
72.99281	0.8
73.02931	1.1
73.98312	1.0
74.99109	8.6
77.62913	0.6
85.02941	1.2
87.00845	1.2
88.98812	100.0
89.02438	2.1
89.99159	1.1
96.95992	1.3
101.02484	1.9
112.53928	0.7
113.02460	0.9
119.03510	1.4
120.99724	1.0
121.52424	0.6
135.98363	0.9
136.99165	8.3
161.04565	0.7
198.89854	0.7
209.11914	0.9
215.03238	0.9
227.12865	4.3
269.13937	0.8
287.11646	1.1
287.14978	20.4
288.15170	1.3
295.06323	1.0
340.05725	0.8
341.06888	3.1
341.10883	4.7
342.11813	0.8
377.04459	1.2
377.08673	2.9
377.16354	3.7
377.21774	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1455
Annotation	Lamiol
Peak:m/z	Relative Intensity
55.01879	0.7
57.03450	2.1
59.01379	20.4
61.98827	7.1
69.03458	0.5
69.79971	2.6
71.01386	5.2
72.99334	0.5
73.02949	41.7
74.02480	0.5
74.03293	1.0
79.05559	0.5
83.01391	0.5
85.02964	2.0
87.00856	0.8
87.04547	0.6
89.02444	3.3
93.03471	1.2
95.01368	0.4
95.05041	1.2
96.96004	0.6
97.06597	27.9
98.06961	1.2
98.20602	0.4
99.00889	0.4
99.04522	0.6
101.02440	3.6
109.02935	0.5
111.04546	0.9
113.02453	2.6
115.00403	0.5
119.03506	1.5
121.02962	0.8
123.04546	0.8
125.09705	0.6
127.00382	0.7
135.04521	1.4
138.05670	0.7
141.05594	24.1
142.05956	1.1
143.03517	0.9
145.08279	0.5
153.09233	17.5
154.09633	0.5
155.07205	0.5
156.06641	0.7
161.04575	1.6
162.05565	0.9
171.10295	6.9
171.14011	0.5
173.04561	0.6
177.09154	0.4
179.03448	0.6
179.05611	1.2
179.07147	2.3
183.66106	0.4
197.08185	4.2
215.03587	2.1
215.09244	100.0
215.12752	3.0
216.09540	4.6
227.08182	0.7
241.70224	0.5
243.80714	0.4
247.81473	0.4
257.10291	5.2
257.12949	1.6
262.12653	0.7
315.13419	0.5
317.16095	0.6
333.14670	0.7
334.17801	0.6
335.17096	0.9
341.10907	8.3
342.11594	0.6
359.12863	0.5
377.08560	7.2
377.14435	7.3
377.18246	1.7
377.22086	1.3
378.08987	0.5
378.14703	0.6
397.75290	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2177
Annotation	Membranolide C
Peak:m/z	Relative Intensity
59.01369	3.3
61.98823	5.6
69.03432	0.9
70.93863	1.5
71.70720	1.3
78.21541	1.1
78.95908	1.4
84.48159	1.1
97.86728	0.9
108.02187	50.7
116.07169	2.8
116.92873	3.9
117.03492	2.0
121.02898	1.0
122.45753	1.2
123.04537	39.2
124.04868	2.2
134.03754	34.4
136.01639	6.1
149.06104	10.6
151.04045	9.8
159.04478	2.3
161.02440	3.8
161.06073	1.7
161.21021	1.1
162.03252	6.2
171.04544	1.5
171.10083	1.0
175.04027	4.7
177.05603	2.9
187.03976	1.1
189.05594	4.5
193.05031	10.7
195.17586	6.0
287.20163	5.7
315.19684	4.2
316.20432	4.0
331.22827	4.4
375.21783	100.0
376.22107	11.9
376.28546	2.8
378.42188	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.1036
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46198	0.6
54.57536	0.6
59.01369	2.4
61.98830	100.0
63.96248	0.7
66.82827	0.7
71.29929	1.7
72.79877	0.6
79.95754	2.7
98.44138	0.8
118.40803	0.6
147.25493	0.7
173.70233	0.7
189.93225	0.8
191.07420	0.8
203.70860	0.7
341.10825	1.0
376.18814	1.6
377.08734	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.1037
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90460	1.0
59.01371	4.2
61.98831	100.0
63.96220	2.0
69.07037	0.9
71.42782	1.7
79.95748	2.2
96.79535	1.0
164.33420	1.0
295.46161	1.0
341.23618	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	8.7
61.98831	100.0
69.33114	1.1
71.61655	1.5
81.71290	1.1
149.28725	1.2
162.80638	1.1
193.04840	1.1
265.72314	1.2
301.65173	1.2
322.07999	1.3
376.17773	1.3
376.25076	20.2
377.09332	1.3
377.25104	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12672	1.4
55.01883	5.3
55.14143	1.3
56.01965	1.4
57.03452	4.8
58.00592	3.6
59.01379	100.0
60.01705	1.4
61.98827	6.8
69.03465	2.4
69.71631	7.1
69.72038	2.6
71.01385	84.1
72.99301	7.7
73.02955	16.5
83.01395	8.9
84.28504	1.4
85.02959	31.2
87.00874	4.5
89.02454	53.6
95.01400	5.4
97.02950	1.7
99.00875	8.2
101.02453	56.3
102.02762	1.5
113.02456	30.5
113.09724	2.1
119.03530	22.0
123.08251	1.5
125.02474	1.7
127.11309	2.6
131.03531	2.4
133.48097	1.7
143.03531	5.5
146.19675	1.4
150.89894	1.5
159.03029	5.6
161.04564	20.2
179.05658	3.9
205.03517	1.6
240.24904	1.8
242.69107	1.3
258.97006	1.5
271.98004	1.4
313.10812	2.3
315.25336	2.1
331.21249	14.6
375.20325	35.7
375.27469	35.1
376.20609	3.0
376.28000	3.0
380.24417	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2154
Annotation	7-hydroxy-D4-neuroprostane
Peak:m/z	Relative Intensity
50.40553	1.2
59.01376	47.1
61.98824	6.0
71.01411	1.7
71.71238	3.2
75.00881	1.8
78.95897	4.5
80.91683	1.5
84.56667	1.2
95.05020	2.2
99.92596	2.2
121.10246	27.0
125.09700	2.3
171.10283	66.9
172.10619	2.8
185.11839	3.0
207.10141	2.1
231.21234	5.8
275.20154	100.0
276.20538	11.1
278.11331	9.8
293.21231	99.7
294.21646	11.2
315.19415	49.4
316.19797	5.4
329.17349	2.3
359.18234	9.0
375.21545	46.7
375.26376	2.8
376.21680	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	374.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55958	0.7
56.19369	0.7
56.73211	0.7
59.01382	4.5
61.98830	100.0
62.03799	0.7
63.68262	0.7
69.10584	0.7
69.82369	0.8
70.99537	0.9
70.99870	1.7
74.76691	0.7
78.95900	0.9
114.87201	0.8
116.03535	0.8
128.02281	0.7
192.03250	0.8
237.04688	0.9
247.20988	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	2.2
61.98828	100.0
70.79015	1.7
71.92675	0.6
90.32326	0.6
91.66656	0.6
98.86382	0.6
241.30298	0.6
377.88345	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96449	0.3
59.01377	100.0
60.01714	1.4
61.98821	1.8
62.81492	0.4
70.10465	0.3
71.01384	2.3
71.67989	0.8
73.02939	0.6
73.04080	0.4
83.01395	0.7
85.02953	0.6
89.02454	0.6
93.03477	0.5
96.96976	1.0
99.00889	0.6
101.02462	1.5
107.05044	1.4
113.02457	0.9
118.69091	0.4
119.07116	0.4
120.02178	1.6
123.04539	1.5
135.04544	2.9
137.02498	0.8
138.03235	6.3
143.03494	0.4
151.03986	0.6
153.05588	62.8
154.05943	2.6
161.02480	0.9
161.04567	4.1
177.01974	0.7
179.03496	1.2
201.01816	0.9
217.00287	0.7
233.00522	0.4
255.97981	0.4
257.97617	0.5
315.10672	0.6
375.06845	3.6
376.07043	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.3
59.01381	27.0
60.99306	0.6
67.72879	0.5
69.26009	0.5
69.43184	1.6
69.43617	4.2
70.02975	3.4
72.00906	4.3
72.04555	2.8
74.02480	70.4
75.02815	0.8
84.04558	10.4
86.02494	1.0
96.28020	0.5
98.02493	3.9
99.04587	0.8
100.04063	2.5
102.05611	1.8
104.03553	34.5
116.03555	34.9
124.07684	0.7
128.03503	1.5
138.21935	0.5
146.04622	16.2
152.03575	1.3
202.04301	0.5
204.83511	0.5
209.11819	1.2
225.15009	3.8
227.12874	10.1
228.13112	0.7
266.14011	1.2
269.13831	1.2
284.15009	2.2
287.15088	3.8
312.18204	1.7
314.16263	3.1
326.16043	1.4
344.17139	6.9
356.17145	8.1
357.17465	0.5
374.18216	100.0
375.18573	12.2
377.02225	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	11.3
61.98831	100.0
68.79790	0.6
74.35904	0.6
78.47401	0.6
79.99442	0.7
98.19913	2.0
114.05595	0.8
118.05173	1.0
127.81306	0.6
135.37338	0.6
148.90407	0.6
192.03430	0.8
217.05139	1.1
222.46057	0.6
237.15018	1.2
255.64368	0.7
275.09253	1.0
321.20908	1.3
374.24002	1.0
375.18002	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
57.63445	1.0
59.01378	12.7
61.98830	100.0
69.36469	11.0
70.02971	1.6
71.01398	1.7
71.05073	1.1
80.50117	1.3
86.02430	1.1
88.04057	6.3
90.76221	1.1
96.95995	1.1
98.19897	2.6
114.01974	3.4
115.00354	1.9
120.01245	7.0
128.96446	1.2
132.03040	20.9
135.03081	1.6
171.12132	1.8
191.99823	2.5
230.92549	1.0
232.10910	3.7
235.24506	1.1
238.58577	1.1
274.53693	1.2
374.24490	56.4
375.24918	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	374.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69012	0.6
57.67394	0.7
59.01373	2.5
61.98830	100.0
71.71809	0.8
83.82024	0.6
128.30763	0.7
149.83192	0.6
228.00537	0.6
294.11307	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1996
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93356	0.8
59.01380	15.7
61.98841	5.8
69.82620	0.8
69.93502	5.1
71.01417	1.8
79.47453	0.8
80.96545	1.0
93.03499	1.6
130.08725	0.8
146.60175	0.8
163.11174	1.0
165.12859	26.1
166.13242	2.5
177.12807	1.3
220.00482	0.9
242.98526	0.8
243.30865	0.9
244.10858	3.3
247.20668	11.9
248.21077	1.7
273.18518	5.5
274.19119	1.0
278.60760	0.8
291.19656	100.0
292.19998	11.0
313.17850	15.1
314.18155	2.1
336.60010	0.9
373.20001	20.9
374.20276	3.2
374.27032	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	374.157
Annotation	Unknow
Peak:m/z	Relative Intensity
55.28729	0.7
59.01378	62.7
66.03482	5.2
70.04787	4.4
70.05142	1.7
71.01400	1.5
76.96418	0.8
82.02986	7.9
96.04587	1.0
106.04310	1.0
107.05039	10.0
110.02488	41.9
111.02027	14.3
111.02768	2.0
122.02483	3.2
123.04549	1.1
124.04025	0.9
125.35109	1.1
130.08757	71.9
131.09097	2.8
135.04539	64.6
140.03523	4.6
152.03525	7.3
153.03053	4.4
153.04303	1.6
153.05588	32.6
158.59566	0.8
200.05655	21.9
201.05954	1.3
202.62131	0.9
243.06209	100.0
244.06508	7.0
315.10870	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1142
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	13.1
61.98807	0.3
62.72481	0.2
71.12981	0.5
77.81161	0.2
93.03472	2.5
95.05051	0.7
97.26209	0.2
105.03424	0.4
106.04305	0.3
107.05043	12.4
108.02223	0.6
108.05379	0.5
121.02980	0.9
123.04535	7.2
126.90408	0.2
133.02933	1.6
134.03775	0.3
135.04550	0.4
145.06175	0.3
149.06024	0.3
151.04022	100.0
152.01256	0.4
152.04370	4.8
173.06145	0.3
241.72879	0.2
254.91589	0.3
306.24844	0.2
315.07309	0.6
342.61444	0.3
373.21426	0.2
378.96558	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.187
Annotation	Rosiridoside C
Peak:m/z	Relative Intensity
57.03450	0.2
58.00603	0.6
58.99601	0.6
59.01378	100.0
60.01712	1.7
61.98833	0.7
62.95643	0.2
69.03465	0.5
69.59166	1.9
71.01386	13.5
72.99326	0.7
73.02949	8.0
74.99107	0.2
83.01394	2.6
85.02962	2.3
87.00893	0.7
89.02454	10.1
95.01432	0.8
96.96023	0.4
97.02990	0.2
101.02455	9.5
102.02853	0.3
102.98604	4.5
104.06833	0.2
113.02457	5.5
114.02811	0.3
118.98081	0.3
119.03513	3.9
120.99680	0.4
125.02480	0.5
131.03560	1.1
143.03561	0.8
148.85475	0.3
149.04559	0.6
152.07246	0.6
155.03474	0.3
160.01793	0.2
161.04553	1.6
163.00694	0.5
179.05675	0.7
197.02922	0.3
270.34540	0.2
331.17645	0.6
334.77682	0.3
373.18076	0.8
373.26212	0.3
396.04916	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1869
Annotation	Rosiridoside C
Peak:m/z	Relative Intensity
55.01879	0.8
57.03447	1.5
58.00583	4.1
59.01377	100.0
60.01731	0.7
61.98829	2.5
69.61768	3.2
69.62177	1.1
71.01384	51.5
71.05013	1.1
72.01723	0.7
72.99302	4.7
73.02939	3.1
76.17744	0.5
83.01385	4.0
83.52492	0.5
85.02962	9.1
87.00889	2.2
89.02452	52.8
90.02773	0.7
90.18883	0.5
95.01404	4.1
96.95985	0.5
97.06629	0.6
99.00915	1.1
101.02454	37.5
106.43276	0.5
113.02460	21.3
114.02814	1.1
119.03517	28.8
120.03862	0.8
120.99661	2.3
125.02462	0.8
129.43954	0.5
130.34694	0.5
131.03525	2.1
143.03561	3.0
149.04556	1.9
151.11356	0.8
161.04579	3.3
176.45950	0.6
179.05632	3.7
181.81038	0.7
191.69179	0.5
193.12335	8.1
211.13307	0.7
216.92136	0.6
229.18065	1.6
299.18652	1.6
311.10031	0.7
313.10681	1.6
331.17648	0.8
368.93491	0.6
373.13339	1.8
373.18631	49.0
373.22287	2.1
373.26279	1.4
374.19073	6.1
377.73282	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
55.66728	0.5
59.01381	1.8
61.98831	100.0
62.98560	0.5
77.52871	0.6
86.69682	0.5
132.03026	0.8
133.26837	0.6
145.01471	0.6
148.99536	0.5
149.04709	0.5
316.67584	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01362	0.5
61.98830	100.0
69.38095	5.1
70.03007	0.7
98.71549	0.4
114.01998	0.9
131.04662	0.8
199.38162	0.5
301.29321	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	6.4
61.98830	100.0
62.58852	1.0
69.96886	5.8
71.01390	2.8
72.84299	0.8
79.90815	0.9
81.26294	1.0
88.04060	1.4
98.19920	1.1
101.12417	0.9
104.03512	0.9
111.95360	0.9
115.92088	2.5
116.92877	1.1
121.77103	1.0
127.87352	0.9
131.04684	1.1
132.03069	2.1
149.02565	1.1
149.81799	1.0
159.24506	0.9
197.15466	1.8
205.15988	1.8
223.17134	4.3
235.16974	1.4
241.18002	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	372.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10287	0.6
59.01389	1.2
61.98833	100.0
98.20684	2.1
151.03999	0.7
181.30438	0.6
317.17395	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	7.0
61.98829	100.0
67.12660	0.8
71.01400	0.7
71.23891	2.3
75.00862	0.9
116.92828	1.0
125.33542	0.8
151.04028	1.1
245.09436	0.9
261.11429	0.9
261.71942	0.8
276.53311	0.9
361.16528	0.8
389.48654	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1138
Annotation	Juglorin
Peak:m/z	Relative Intensity
50.00356	1.2
59.01383	14.4
61.98819	3.4
62.01677	1.2
63.06270	1.1
65.84953	1.1
71.01389	1.5
71.66974	1.5
73.02913	1.3
90.84294	1.0
93.03483	3.0
108.02154	2.1
109.02965	58.5
110.03330	1.4
121.02982	5.8
121.62234	1.0
123.04543	1.1
136.01675	22.0
145.02951	4.9
149.02438	2.2
151.04027	32.1
158.03719	2.8
159.04521	10.6
160.05321	44.8
161.05653	3.5
164.04803	1.9
174.03206	1.2
175.04030	1.1
175.07655	29.3
176.07980	2.3
181.79919	1.1
189.05508	2.1
207.06621	1.2
211.07593	3.6
221.05968	2.5
239.07133	18.6
249.05504	3.1
250.06296	7.0
266.05786	3.9
267.06598	100.0
267.83820	1.1
268.06918	8.1
272.65817	1.3
278.88589	1.1
281.08441	1.3
282.08972	75.4
283.09222	7.0
285.77725	1.2
285.80988	1.1
297.11325	65.8
298.11694	7.7
311.23715	1.1
312.09995	13.3
327.12357	98.4
328.12662	10.0
371.11255	15.7
371.19263	2.2
371.24542	3.1
372.11722	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	371.1197
Annotation	Unknow
Peak:m/z	Relative Intensity
56.61183	0.6
59.01371	1.9
61.98833	22.3
63.99279	0.7
70.15143	1.9
70.15540	1.1
71.01375	2.2
73.66610	0.7
75.21148	0.6
85.02954	7.3
85.25469	0.7
87.00877	2.3
87.81139	0.6
92.92806	2.9
93.03471	1.9
94.92522	2.2
98.19920	1.0
108.90228	2.5
110.89891	1.3
119.94721	9.4
121.77525	0.7
121.94405	3.2
127.04025	1.4
133.80345	0.7
145.06212	2.5
146.96584	4.3
147.18228	0.6
173.04559	0.8
191.05623	100.0
192.05975	5.1
328.51608	0.6
371.11911	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
58.27208	0.2
59.01378	100.0
60.01713	0.8
69.35303	1.3
69.35727	0.9
71.01387	0.5
76.60051	0.2
77.74330	0.2
89.02471	0.4
101.02475	0.3
146.08128	0.2
169.23109	0.2
363.80969	0.3
371.13715	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1351
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	0.4
57.49863	0.4
58.02980	0.4
59.01379	100.0
60.01713	2.0
61.98830	3.5
62.66103	0.4
71.01377	4.2
71.66373	0.4
71.66726	0.4
73.02951	1.1
74.02469	1.5
77.57954	0.4
78.04716	0.4
83.01400	0.6
83.05022	0.8
85.02969	1.3
85.99106	0.3
89.02453	2.7
96.96017	2.0
99.00861	0.5
101.02465	2.8
102.05634	1.0
103.12746	0.3
104.03573	0.5
107.05037	15.3
107.20617	0.4
108.05358	0.7
113.02466	1.6
119.03551	0.9
121.03008	0.5
128.03546	2.0
130.08757	0.8
135.04630	0.5
143.11984	0.5
146.04636	0.5
147.08380	0.4
155.11894	0.5
167.03523	0.8
183.46536	0.3
191.10805	1.1
193.05011	0.4
209.11920	0.5
243.12567	0.5
256.20444	0.9
281.08826	0.4
285.18375	0.4
298.21069	0.4
310.21573	0.4
327.09631	0.4
329.09317	0.8
342.20493	1.3
371.10657	1.5
371.16983	4.7
372.10718	0.4
372.17752	2.1
372.20978	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.0985
Annotation	Cycloshermilamine D
Peak:m/z	Relative Intensity
55.01868	1.1
57.03439	2.6
59.01379	18.9
59.83534	0.6
65.94849	0.6
67.01896	1.3
68.99820	2.4
69.03453	1.8
69.42342	6.3
71.01385	16.7
72.01757	0.7
72.99313	5.2
73.02946	1.5
75.00874	18.8
81.03457	1.4
83.01402	1.6
85.02957	22.0
85.03475	1.2
87.00879	7.5
89.02471	3.0
93.03476	1.8
95.01398	4.5
99.00894	9.5
99.04509	1.3
101.02451	0.9
103.00388	2.7
109.02946	0.7
111.00890	1.7
113.02463	25.5
114.02767	1.0
115.00388	1.7
117.01968	3.1
121.02972	100.0
122.03284	4.3
129.01984	1.4
130.99861	0.8
175.02495	2.9
189.04016	1.1
231.05074	6.7
249.06146	70.8
250.06464	4.1
334.31625	0.6
353.08722	1.5
371.09839	64.5
372.10156	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	371.1136
Annotation	5,4'-Dihydroxy-3,7,3'-trimethoxy-6,8-dimethylflavone
Peak:m/z	Relative Intensity
57.28679	1.7
59.01383	27.5
61.98823	8.8
71.01381	3.1
71.71364	2.0
86.98219	1.9
93.03461	2.7
97.61211	1.7
99.00898	2.2
108.02177	3.0
109.02941	15.1
112.39178	2.1
115.92074	8.6
116.92848	3.6
117.03474	2.1
119.05018	2.3
121.02979	14.0
124.98785	2.2
132.02171	2.8
133.03006	5.9
134.03760	68.0
136.01674	21.6
137.02449	11.7
140.98262	3.8
145.02985	6.5
146.03735	6.2
147.04535	4.9
149.06104	17.8
150.03261	5.3
151.04021	23.3
158.03699	2.4
159.04539	4.6
160.01649	11.2
160.05258	1.8
161.02414	1.9
162.03142	2.7
163.04057	2.0
165.05559	1.9
167.76494	2.0
169.99178	1.7
170.99367	5.9
171.04430	2.7
171.10313	2.0
175.04053	16.2
178.01230	3.2
178.02721	35.3
188.04688	2.5
189.05527	2.4
192.04250	2.5
193.05060	100.0
194.05438	6.5
209.06200	2.6
217.30614	1.9
225.05536	6.0
226.06337	2.2
229.05225	2.3
239.07211	3.3
250.06299	2.3
253.05118	4.7
254.05840	7.3
266.05838	4.2
267.06659	20.5
268.07349	4.8
269.08163	14.3
270.08621	3.5
274.11719	2.1
279.06525	4.7
281.08087	3.4
282.08893	17.3
283.09354	4.5
293.21210	3.9
297.08148	3.9
297.11288	15.9
298.11880	2.3
311.05563	2.0
311.22156	11.1
312.10068	2.7
313.07028	3.6
327.12247	6.6
339.08722	4.4
356.09116	10.6
371.07697	2.8
371.11365	78.2
371.18835	4.8
371.24182	3.6
372.11789	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	371.0985
Annotation	Deacetyl asperuloside
Peak:m/z	Relative Intensity
57.03463	0.3
58.02970	0.7
59.01378	7.2
61.98830	2.3
64.98814	0.3
71.01382	0.7
71.70805	0.3
73.02956	0.6
74.02502	0.3
83.05029	1.0
85.02967	0.5
89.02454	0.7
93.03464	0.4
95.05047	0.9
97.02967	0.6
101.02456	0.7
103.05550	1.0
106.63210	0.3
119.05042	14.3
120.05397	0.5
121.02964	1.3
123.00835	0.4
123.04536	1.2
125.02450	0.8
125.07210	1.3
127.00314	0.3
127.05143	1.9
128.03557	0.7
134.03760	0.3
135.00938	0.4
135.04578	0.8
136.05327	1.2
137.06076	0.9
145.05182	0.5
145.06195	3.2
147.04546	26.8
148.04861	1.4
149.01462	0.3
149.02466	2.0
150.03226	3.5
151.00430	0.5
163.03995	3.2
164.04808	14.2
164.87854	0.3
165.05597	2.5
166.02757	2.2
167.03522	1.0
169.06133	0.5
176.01199	1.5
187.07291	1.1
190.02727	1.4
191.03513	65.2
192.03877	3.1
207.03006	0.5
208.03767	9.4
209.04552	100.0
210.04912	6.8
218.93126	0.3
308.74298	0.3
344.53339	0.3
353.08768	3.0
371.09824	60.2
371.18048	3.4
372.10165	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.0809
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	0.2
57.03439	0.6
59.01380	4.3
61.98823	0.4
62.09871	0.2
70.75017	0.2
70.75354	0.5
71.01381	4.8
72.99297	0.4
73.02941	1.7
79.95739	6.7
80.96515	0.7
83.01392	0.8
85.02953	2.2
87.00874	0.3
89.02460	2.0
95.01410	0.5
96.96021	100.0
97.28673	0.2
97.95958	0.3
99.00893	0.7
101.02452	3.9
104.70013	0.2
107.75447	0.2
113.02468	2.3
119.03503	0.4
120.99645	0.6
125.02434	0.3
129.01956	0.2
139.36018	0.2
143.03523	0.2
151.00725	7.0
151.03986	0.2
152.00986	0.2
159.02989	0.6
161.04565	2.2
162.06969	0.3
165.09244	0.3
165.12840	0.5
191.05650	0.2
191.10854	0.3
193.04938	0.2
206.05843	0.3
206.42857	0.2
209.08171	1.3
209.11861	0.8
209.15506	0.5
215.10728	0.4
217.05099	0.5
221.08203	1.4
259.09775	0.6
291.12396	0.7
346.98410	0.2
371.08047	36.8
371.20618	3.0
372.08362	4.3
372.20822	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.0984
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56182	0.3
55.01891	0.3
57.03445	1.6
59.01375	0.6
61.53402	0.3
65.40430	0.3
67.98821	0.4
68.99860	0.4
70.84904	0.7
70.85251	0.4
70.91492	0.3
71.05018	0.6
81.03464	11.8
83.01392	2.4
87.83054	0.3
92.56638	0.3
93.03492	0.8
95.01424	0.3
95.05035	6.7
97.02953	4.1
99.04533	10.8
105.28780	0.3
107.05073	0.5
111.04548	1.8
113.02504	0.6
121.02909	0.4
123.04549	6.1
125.02464	31.6
126.02792	1.2
135.04573	0.4
137.02449	4.4
139.04051	3.9
141.52266	0.3
149.02502	0.6
151.04056	1.3
165.01958	0.6
165.05612	0.6
167.03519	100.0
168.03862	5.4
179.03525	2.2
193.75508	0.3
197.04567	20.3
198.04785	0.8
209.04605	1.9
227.05676	0.4
251.05603	23.5
252.05922	1.7
263.05597	0.7
269.06628	1.3
281.06689	6.6
282.06921	0.5
287.07748	9.7
288.08109	0.7
353.08768	0.8
361.07312	0.3
371.09824	26.3
372.10190	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	369.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	6.5
57.03476	2.6
59.01371	5.1
61.98824	5.4
65.00314	2.2
67.01894	2.9
68.99825	8.2
69.03446	2.7
70.89260	4.7
71.01387	10.9
72.88351	1.4
72.99306	17.8
73.02946	24.7
75.00876	11.7
80.02686	2.0
81.03452	1.9
83.01384	25.4
85.02964	1.5
86.00101	8.3
87.00880	27.6
92.23642	1.5
96.96965	1.6
96.99374	2.0
99.00890	37.5
101.02425	6.3
108.02156	8.3
110.00106	4.6
111.00867	6.7
112.98811	9.8
113.02471	2.9
113.99624	8.0
115.00375	6.1
117.01953	1.9
124.01647	3.1
124.98827	3.6
125.02489	2.3
127.00391	93.7
128.01173	2.6
129.01947	3.0
137.99600	17.1
138.03212	2.4
142.99886	3.5
143.03506	2.6
145.01451	2.9
149.02499	1.7
151.00385	3.2
152.01154	5.8
153.01927	2.9
154.99876	63.4
157.01448	3.9
159.02975	2.7
163.14905	2.7
169.01433	2.4
173.00914	3.2
174.01697	4.7
178.65729	1.7
179.14418	7.6
181.01381	3.5
181.15997	18.4
182.16312	1.8
187.02477	13.8
189.00409	28.5
191.17953	2.1
193.15956	4.7
195.17621	2.8
205.15974	4.1
207.01462	5.8
207.17561	11.2
219.17526	4.6
221.15407	7.6
221.19057	1.8
223.17052	4.1
223.20526	3.1
225.14906	2.3
235.13312	4.1
235.17032	9.3
237.14972	26.0
237.18550	5.8
238.15366	2.3
247.17043	4.4
249.14890	9.4
249.18333	2.8
251.16479	5.7
253.18054	4.1
263.16434	7.4
265.14413	69.5
266.14838	5.6
267.19632	2.9
275.16464	5.4
281.17657	2.0
293.13934	17.8
293.17572	8.9
295.19070	6.0
307.19122	5.5
309.17029	13.1
310.17706	3.6
311.18588	6.3
325.20212	4.4
337.16562	100.0
338.16852	11.2
339.18039	2.1
369.19205	29.5
370.19424	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	369.2201
Annotation	Aspidocarpine
Peak:m/z	Relative Intensity
57.03428	0.3
59.01363	0.7
61.98829	0.5
69.31853	0.9
69.32277	2.2
73.02950	1.4
78.95910	100.0
83.01402	0.8
88.79603	0.3
95.96175	0.5
96.96973	33.5
99.00887	1.4
127.00386	2.3
149.98851	0.3
150.59712	0.3
189.00436	2.3
207.01463	0.5
207.89108	0.3
209.81125	0.3
214.22806	0.3
251.20163	0.7
310.43381	0.3
319.75690	0.3
369.17926	0.6
369.21991	16.8
370.22260	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	370.1143
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24692	0.5
55.14648	0.4
59.01377	4.1
59.75655	0.5
61.98832	100.0
64.71464	0.5
69.95597	0.7
69.95896	3.0
71.01385	0.7
73.02960	1.2
96.96006	0.7
99.00918	0.7
99.92656	0.5
115.96780	0.5
127.00404	1.3
135.04659	0.6
189.00363	1.0
190.00835	0.6
287.22357	2.2
288.22614	7.6
289.22852	0.6
312.58682	0.5
370.18430	0.7
370.22919	1.7
371.14771	0.7
371.25415	0.5
377.03687	0.5
382.59396	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.192
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	5.1
57.03447	6.6
58.51025	3.0
59.01377	12.0
61.98835	13.1
65.00354	2.5
65.82224	2.5
67.01906	3.4
68.99834	5.2
70.23506	10.2
71.01392	13.6
72.99312	16.2
73.02944	34.8
75.00883	5.7
83.01383	32.1
86.00105	6.8
87.00884	25.2
91.04018	10.0
99.00898	37.3
101.02461	7.0
108.02186	6.3
109.02944	3.9
110.00136	6.1
111.00874	8.9
112.98828	12.9
113.99600	10.1
114.05591	3.9
115.00404	6.9
124.98893	3.2
127.00388	100.0
128.01193	2.6
137.99651	12.4
142.99890	9.2
143.03510	5.2
145.01512	5.1
151.00375	4.9
152.01172	7.4
153.01923	3.1
154.99889	58.1
166.02768	3.0
169.01462	3.4
173.00938	9.1
174.01700	41.8
179.14445	10.0
181.15984	20.2
187.02496	8.3
189.00432	39.3
193.16034	3.8
195.13957	14.6
195.15622	2.7
205.16103	2.9
207.01480	8.0
207.17555	7.8
219.17500	5.6
221.15471	6.9
223.17009	5.4
235.17003	9.4
237.14986	27.1
237.18639	7.4
249.15045	4.9
249.18633	6.0
251.16583	6.7
251.20001	3.1
263.16702	6.1
265.14447	63.6
265.17383	4.2
265.18463	3.1
266.14893	5.9
267.19614	3.4
274.31079	2.6
275.16443	4.8
277.21741	10.0
281.17538	4.7
293.13965	14.8
293.17426	5.8
295.15866	2.8
295.19431	7.0
295.22766	83.1
296.23096	9.5
307.19196	4.5
309.17050	11.6
311.18741	3.5
325.20078	4.4
337.16568	85.2
338.16824	10.6
351.18320	2.5
369.19293	36.6
370.19312	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	370.1872
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	3.4
61.98830	100.0
69.92757	5.5
73.02944	2.3
79.11716	1.0
82.00607	2.8
83.01398	2.0
91.15567	1.0
91.53722	1.0
99.00873	2.5
100.01289	1.1
102.27526	0.9
115.00442	1.0
121.02974	36.6
122.03333	1.8
127.00414	3.7
128.00705	1.1
132.03085	1.1
136.01749	2.3
152.01157	1.9
165.01924	1.2
174.01694	1.0
178.02727	11.1
178.52885	4.0
181.06592	1.2
189.00392	2.5
190.00626	1.2
225.05547	2.4
313.07162	5.3
326.06146	7.9
326.56528	2.0
383.07745	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	370.1873
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	6.1
61.98829	100.0
62.39872	0.5
71.01404	0.6
71.71590	0.7
73.02940	1.1
79.17538	0.6
83.01400	1.2
97.98665	0.5
99.00905	0.6
103.24126	0.6
112.93324	0.6
121.02969	29.3
127.00408	1.5
145.06206	0.9
163.68607	0.6
170.99489	0.7
179.03522	2.8
184.76846	0.6
189.00407	1.2
190.00801	1.7
207.06657	0.8
212.47012	0.6
370.13406	0.9
371.07623	4.4
385.97284	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1193
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	0.9
57.03447	4.8
58.00596	1.8
58.73726	0.4
59.01379	53.9
60.01717	1.0
61.98832	4.6
69.60040	3.3
71.01386	26.5
72.01745	0.7
72.99327	2.7
73.02950	9.3
74.03304	0.4
75.00877	0.7
83.01397	7.2
85.02956	7.9
87.00875	2.0
89.02456	30.7
90.02785	0.6
93.03482	1.1
95.01376	2.3
99.00907	5.1
101.02451	17.2
102.02831	0.6
111.00897	1.7
111.30019	0.5
113.02460	9.9
119.03515	11.6
119.04945	1.0
120.03872	0.5
123.04532	0.5
127.00388	11.4
130.04251	1.4
130.08850	0.5
131.03502	1.2
135.04559	1.2
142.99934	0.6
143.03523	1.5
143.05037	5.9
145.06610	67.2
146.06967	3.6
147.04579	1.0
148.51108	0.5
159.03053	0.5
161.04559	2.0
163.07683	5.6
170.87338	0.5
179.03529	0.9
179.05618	2.0
189.00450	11.1
189.05582	100.0
190.05931	6.8
190.99854	2.3
191.05547	1.4
192.00534	0.9
193.06107	1.0
207.01367	2.3
207.03146	1.0
207.06650	0.9
235.11662	1.1
236.12244	1.1
237.12311	1.9
249.19147	0.5
253.37572	0.5
280.13272	0.5
369.08026	0.7
369.11975	1.9
369.16531	3.9
372.94690	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1191
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	0.7
55.99997	0.5
57.03446	63.1
58.03772	1.1
59.01371	4.4
59.82764	0.6
61.98825	1.2
65.65240	0.5
68.99807	1.0
69.47686	0.7
70.00846	3.2
71.01382	17.4
73.02946	6.6
83.01365	3.1
85.02951	7.9
86.27511	0.5
89.02457	1.8
95.01382	1.3
98.19988	0.9
99.00884	2.9
101.02453	11.6
113.02460	7.1
114.02858	0.5
119.03478	0.8
119.05030	4.8
127.00380	1.7
143.03546	1.4
145.06674	0.8
159.02986	1.9
161.04573	21.7
162.04944	0.9
163.07669	100.0
164.07977	6.9
189.00467	2.0
189.05537	3.2
195.62012	0.6
205.73630	0.6
207.06567	0.9
242.33646	0.6
274.71957	0.6
325.12952	1.7
369.12027	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	369.1192
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.8
57.03448	7.7
58.00587	2.3
59.01381	51.3
61.98830	1.8
65.03947	1.2
69.03467	1.6
71.01387	35.7
71.01785	1.8
71.42754	1.5
72.01721	1.2
72.99300	2.2
73.02943	5.3
81.03462	1.7
83.01392	4.2
85.02952	7.8
87.00893	2.1
89.02455	48.7
89.03979	1.2
90.02790	1.2
91.15815	0.7
93.03456	2.9
95.01395	2.1
95.05026	1.3
97.02968	12.5
99.00879	1.9
101.02456	100.0
102.02799	2.5
105.03477	1.0
107.05034	6.6
109.02986	1.1
109.06629	1.1
113.02466	12.4
119.03526	18.1
119.05034	0.9
121.06630	3.3
123.04494	1.4
127.00386	5.4
130.08720	1.0
130.70277	0.9
131.03523	1.4
135.04587	1.1
135.08203	1.0
143.03473	1.5
145.06589	3.1
149.04501	1.2
161.04596	1.9
161.06067	0.9
163.07664	5.0
172.09760	2.1
179.05608	1.7
189.00450	4.3
189.05615	3.1
192.00606	1.4
207.03087	1.5
207.06604	1.9
369.11890	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	6.5
57.03476	2.6
59.01371	5.1
61.98824	5.4
65.00314	2.2
67.01894	2.9
68.99825	8.2
69.03446	2.7
70.89260	4.7
71.01387	10.9
72.88351	1.4
72.99306	17.8
73.02946	24.7
75.00876	11.7
80.02686	2.0
81.03452	1.9
83.01384	25.4
85.02964	1.5
86.00101	8.3
87.00880	27.6
92.23642	1.5
96.96965	1.6
96.99374	2.0
99.00890	37.5
101.02425	6.3
108.02156	8.3
110.00106	4.6
111.00867	6.7
112.98811	9.8
113.02471	2.9
113.99624	8.0
115.00375	6.1
117.01953	1.9
124.01647	3.1
124.98827	3.6
125.02489	2.3
127.00391	93.7
128.01173	2.6
129.01947	3.0
137.99600	17.1
138.03212	2.4
142.99886	3.5
143.03506	2.6
145.01451	2.9
149.02499	1.7
151.00385	3.2
152.01154	5.8
153.01927	2.9
154.99876	63.4
157.01448	3.9
159.02975	2.7
163.14905	2.7
169.01433	2.4
173.00914	3.2
174.01697	4.7
178.65729	1.7
179.14418	7.6
181.01381	3.5
181.15997	18.4
182.16312	1.8
187.02477	13.8
189.00409	28.5
191.17953	2.1
193.15956	4.7
195.17621	2.8
205.15974	4.1
207.01462	5.8
207.17561	11.2
219.17526	4.6
221.15407	7.6
221.19057	1.8
223.17052	4.1
223.20526	3.1
225.14906	2.3
235.13312	4.1
235.17032	9.3
237.14972	26.0
237.18550	5.8
238.15366	2.3
247.17043	4.4
249.14890	9.4
249.18333	2.8
251.16479	5.7
253.18054	4.1
263.16434	7.4
265.14413	69.5
266.14838	5.6
267.19632	2.9
275.16464	5.4
281.17657	2.0
293.13934	17.8
293.17572	8.9
295.19070	6.0
307.19122	5.5
309.17029	13.1
310.17706	3.6
311.18588	6.3
325.20212	4.4
337.16562	100.0
338.16852	11.2
339.18039	2.1
369.19205	29.5
370.19424	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	367.1874
Annotation	Unknow
Peak:m/z	Relative Intensity
54.74939	1.0
59.01377	3.9
61.98832	100.0
70.37788	3.9
75.00857	1.6
90.12199	1.0
92.27367	1.0
98.19941	1.6
99.00838	0.9
116.07162	3.7
121.02895	1.1
136.93991	0.9
191.05701	1.1
367.16437	3.8
368.25723	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	367.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40923	0.3
55.01875	0.7
57.03436	1.4
58.13191	0.3
59.01376	100.0
60.01713	1.3
61.98830	0.7
65.17669	0.3
67.01873	0.3
70.89339	1.0
71.01380	14.5
72.01723	0.5
72.99310	0.6
73.02950	5.8
73.07098	0.3
77.76359	0.3
79.95752	0.4
83.01388	4.1
83.05039	0.5
85.02960	6.6
86.03273	0.4
87.00889	1.1
89.02444	2.6
93.03479	1.4
95.01398	0.7
96.96018	31.4
99.00895	3.3
100.88505	0.3
101.02446	10.7
101.03113	0.6
109.52375	0.3
111.00946	0.7
113.02454	6.3
119.03582	0.5
119.05052	1.5
121.02920	0.3
125.02467	0.4
127.00385	3.7
129.01923	0.3
133.03052	0.4
143.03583	0.9
149.06096	0.3
151.08952	0.3
157.10005	0.3
159.02965	1.8
161.04570	16.2
162.04948	0.6
163.03969	0.3
173.04652	0.3
187.11324	0.8
189.00424	2.2
191.05618	10.6
192.05960	0.8
205.03532	0.4
205.12373	1.8
205.14148	0.3
225.16188	1.5
227.12967	0.4
241.18292	0.3
287.15033	0.7
307.17603	28.8
308.17929	2.8
312.27719	0.3
367.10583	5.9
367.13828	0.4
367.27057	0.5
368.11041	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.5
56.08755	0.3
57.03450	1.6
59.01379	100.0
60.01717	1.3
60.99303	1.0
61.98831	5.4
67.01890	4.6
69.03465	1.0
69.17900	0.4
71.01382	7.7
71.70486	0.3
71.70905	0.5
72.99306	2.0
73.02956	4.1
74.99107	0.7
75.00874	0.8
78.95918	0.4
81.03471	0.6
83.01390	3.8
83.05051	0.6
85.02959	13.8
86.03313	0.5
87.00893	6.2
89.02444	3.8
93.03468	19.8
94.03819	1.0
95.01424	0.4
96.96036	0.5
99.00893	3.0
99.04555	0.8
101.02457	6.0
109.02988	0.5
111.00896	47.9
111.04533	3.0
112.01238	1.4
113.02459	2.8
115.00392	0.3
116.05115	0.6
117.03446	0.6
118.98087	0.3
119.03517	1.4
119.05039	10.2
127.00388	4.0
127.04027	0.9
129.01964	2.8
130.32111	0.4
133.02930	0.3
134.03754	8.2
134.78981	0.3
135.03012	1.5
135.03940	0.4
135.78926	0.3
136.99130	0.7
142.06653	0.9
142.99922	0.4
143.03514	0.7
143.07057	0.7
145.08740	0.4
149.06087	0.5
154.98662	0.4
154.99887	7.3
155.03542	0.7
159.03004	0.5
161.02420	0.5
161.04596	2.3
163.04019	6.9
164.04343	0.6
173.00926	15.8
173.04561	7.3
173.05948	0.3
174.01244	0.7
174.04927	0.4
177.01929	0.8
179.03418	0.3
186.05637	0.5
187.05922	1.1
189.00415	3.3
191.05627	62.4
192.05959	3.0
193.05081	4.2
204.13275	0.5
249.27426	0.4
307.17645	10.9
308.18082	1.1
309.07654	0.5
325.56931	0.4
367.10031	3.9
367.17981	1.9
368.10904	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
58.59710	0.7
59.01374	6.7
61.98824	2.9
71.01370	1.0
71.61569	1.2
72.48518	0.6
85.29599	0.7
91.03999	1.0
99.00857	0.9
99.81854	0.7
105.62444	0.7
109.78415	0.6
125.09613	0.6
134.55397	0.7
141.12888	0.9
161.04565	0.7
164.27255	0.7
171.10295	27.5
172.10559	0.9
175.59134	0.7
191.05632	1.1
249.18471	1.3
275.20068	1.0
277.21729	39.5
278.22104	4.0
293.21323	6.3
294.21564	1.1
295.22775	100.0
296.23080	10.9
331.19101	0.8
367.11917	1.1
393.32697	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.1407
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01431	0.1
55.01873	0.2
56.27100	0.2
57.03444	0.9
59.01377	7.9
60.01697	0.3
60.99301	1.6
61.98830	7.2
65.03980	0.2
67.01889	4.4
69.03459	1.4
69.61220	0.5
69.61652	0.7
71.01384	2.4
72.99309	0.3
73.02942	0.7
77.02802	0.1
81.03461	1.0
83.01403	0.3
83.05026	1.2
85.02956	5.3
85.03471	0.3
87.00881	7.8
89.02441	0.5
89.03967	0.2
91.48396	0.1
93.03465	28.2
95.05040	0.2
97.06620	0.4
99.00870	0.7
99.04518	1.5
101.02456	0.6
101.36803	0.1
101.38195	0.1
104.29983	0.1
109.02974	0.8
111.00161	0.3
111.00898	3.1
111.04531	4.2
113.02456	0.9
115.04021	0.2
117.03477	1.0
119.03506	0.3
123.08198	0.3
124.08405	0.1
124.90073	0.1
125.02417	0.2
125.06095	0.9
127.00414	0.3
127.04018	0.9
129.01945	1.2
134.03760	13.3
137.02486	0.2
141.09235	0.2
142.06612	0.2
143.03490	0.2
149.06070	1.0
154.99840	0.4
155.03487	1.0
157.63043	0.1
160.01672	0.5
163.11255	0.2
165.05608	0.2
165.09233	0.4
167.07219	0.3
171.02979	0.5
173.00931	0.6
173.04565	10.1
175.04019	0.6
178.02654	0.3
185.08205	1.5
186.05615	0.4
189.00420	0.3
191.05624	100.0
193.05064	6.4
204.06659	0.2
207.10130	0.2
223.13544	0.2
225.11378	0.9
243.10194	0.2
243.12384	1.0
267.76398	0.2
285.13443	0.3
303.14474	9.8
304.14694	1.0
366.12155	0.3
366.18225	0.3
367.10358	6.1
367.17542	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.1593
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
60.01722	1.5
60.28647	0.6
61.98831	1.6
69.49972	0.6
98.19878	1.3
163.50394	0.6
168.71072	0.6
171.10393	1.0
175.47856	0.6
223.08986	1.4
253.09801	0.7
277.21906	1.6
293.21280	2.0
295.22739	8.0
307.19086	0.7
315.25534	0.6
385.60623	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.0671
Annotation	Unknow
Peak:m/z	Relative Intensity
57.29980	0.3
59.01379	14.2
61.98836	0.9
67.01891	3.3
69.79218	1.8
71.01389	1.0
71.04326	0.3
72.99312	3.0
73.02950	0.6
79.89298	0.3
82.07543	0.2
83.01392	3.3
85.02956	16.2
86.03311	0.5
87.00890	1.2
89.02458	0.5
93.03474	3.3
97.96474	0.3
99.00891	1.2
100.44473	0.3
101.02453	2.3
106.17577	0.3
111.00893	100.0
112.01248	2.7
113.02408	0.4
123.91819	0.3
127.00379	0.6
127.04075	0.3
127.40320	0.2
129.01961	4.8
134.03729	2.1
135.03014	1.0
138.05528	0.4
154.99881	14.9
156.00174	0.4
161.04602	0.3
162.60941	0.3
173.00925	29.3
173.04480	1.9
174.01300	0.9
189.00517	0.4
191.05624	5.0
191.07332	0.3
193.05075	0.7
203.12880	0.3
307.17700	1.5
366.18582	0.7
367.10492	1.4
367.18671	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.161
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	5.1
57.03449	3.7
58.00592	1.4
59.01379	62.2
59.15883	0.5
60.01719	1.0
60.48163	0.5
60.99302	0.5
61.98825	1.6
67.01904	1.5
69.03455	1.7
70.81047	1.5
71.01384	47.1
71.05002	0.6
72.01728	1.1
72.99314	2.6
73.02949	29.1
73.06585	1.0
74.99100	1.0
75.00865	1.2
81.03462	1.1
83.01389	13.7
83.20712	0.5
84.01722	0.5
85.02961	26.8
86.00095	1.6
86.03297	0.8
87.00880	6.0
89.02451	10.9
93.03466	10.3
95.01425	2.8
97.02972	2.6
99.00894	12.6
99.04523	0.7
99.33792	0.5
101.02454	59.0
102.02793	1.7
111.00903	10.7
111.04530	1.2
113.02463	21.7
114.02854	0.5
115.04026	2.0
117.03443	0.7
119.03563	1.0
119.05083	0.7
125.02456	3.3
129.01965	2.2
131.03539	3.9
134.03766	4.7
136.99184	1.1
143.03506	1.9
143.07211	0.6
149.04544	1.3
154.99951	1.2
159.02983	4.2
161.04575	15.8
163.04077	0.8
173.00943	2.5
173.04503	3.0
191.05626	38.0
192.05986	2.0
193.05058	2.6
205.03592	0.6
229.47467	0.5
233.06598	2.4
235.11876	99.9
236.12251	5.4
249.09961	0.5
265.12921	2.4
279.10828	0.7
293.08780	0.9
307.13867	0.6
367.16092	100.0
368.16467	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	366.083
Annotation	Unknow
Peak:m/z	Relative Intensity
58.44297	0.1
59.01378	1.4
61.98824	0.5
67.11911	0.1
71.01379	0.4
71.27393	0.3
73.02969	0.7
83.01405	0.6
85.02972	0.2
87.00866	0.1
89.02428	0.2
96.96018	0.2
99.00887	0.5
101.02480	0.2
111.00900	0.3
113.02460	0.2
116.05085	3.4
117.52509	0.1
119.03540	0.2
121.02933	0.2
127.00387	1.3
132.04575	0.3
133.02977	0.2
136.99144	0.2
149.02484	0.3
159.03262	0.5
160.04060	100.0
161.04413	5.4
167.03513	0.4
187.10921	0.2
189.00467	1.4
191.05634	0.2
204.03044	4.4
204.08568	0.3
205.03259	0.2
262.08804	0.2
282.23239	0.2
333.35715	0.2
366.08298	20.6
367.08679	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	366.1044
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	3.0
61.98831	100.0
62.98548	0.3
71.01386	0.9
71.04688	0.6
72.99322	0.4
73.02950	0.6
77.97884	0.2
83.01413	0.5
85.02978	0.4
88.38210	0.2
89.02480	0.7
99.00900	0.3
101.02464	0.7
107.12923	0.2
111.00882	0.4
112.98818	0.3
113.02477	0.3
117.01982	0.8
125.06122	0.3
127.00379	0.3
142.99898	1.1
143.08939	0.2
149.06146	0.2
153.05597	0.5
161.02489	0.8
162.02834	0.5
165.18622	0.2
167.07176	0.5
173.00981	0.7
174.01744	0.8
189.00427	0.3
191.05713	0.8
193.05093	0.5
225.07765	0.6
271.08209	0.4
303.10895	0.4
307.17700	0.8
342.85944	0.3
366.18607	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
55.99127	0.2
57.03445	0.3
59.01378	100.0
60.01716	1.1
61.98838	0.3
63.39205	0.2
69.23772	0.2
70.92664	0.5
71.01402	0.2
73.02977	0.2
75.02985	0.2
94.23560	0.2
101.02409	0.2
119.05073	0.6
145.02942	0.4
161.04553	0.2
163.04054	0.8
169.50291	0.2
185.34384	0.2
271.74631	0.2
365.20132	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	1.7
59.01376	14.0
61.98819	5.4
69.22022	1.3
69.72768	7.7
71.01382	1.8
83.17709	1.1
84.07372	1.2
85.20881	1.3
88.53447	1.5
121.10246	23.0
129.25407	1.2
171.10284	49.4
172.10626	2.9
185.11830	2.2
186.61961	1.3
195.13852	3.1
223.13412	5.0
231.21251	4.3
235.17087	1.7
248.60867	1.4
256.13074	1.6
275.20169	100.0
276.20490	10.8
293.21225	98.7
294.21652	11.7
329.23322	3.5
335.12015	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	365.2697
Annotation	(+)-Plumosol
Peak:m/z	Relative Intensity
50.84101	0.3
52.40099	0.3
53.01245	0.3
54.86671	0.2
59.01373	0.7
60.53009	0.3
67.20887	0.3
70.91008	0.9
72.81767	0.3
85.06593	2.5
87.08635	0.3
172.28545	0.3
177.10825	0.3
183.33311	0.3
199.13394	2.4
219.17567	0.4
251.20181	0.6
261.18564	1.1
279.19638	18.7
280.20010	1.8
347.25909	6.6
348.26294	0.9
363.25446	1.0
365.26965	100.0
366.27328	13.2
366.32037	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
54.99304	0.3
55.01860	1.0
57.03454	2.0
58.00586	1.4
59.01379	42.4
60.01711	0.6
60.08905	0.3
61.98824	1.4
69.03459	0.4
71.01385	18.0
71.69424	0.4
72.99312	2.0
73.02944	2.6
75.00865	0.8
80.96558	0.3
83.01391	2.7
85.02961	4.1
87.00890	1.6
89.02456	14.8
95.01402	1.3
96.96013	2.0
97.02934	0.7
98.95619	0.5
99.00890	1.0
99.04496	0.7
101.02452	13.3
101.06119	0.6
113.02467	6.3
113.09731	0.8
116.05072	1.2
119.03519	4.9
120.99682	0.9
123.08261	0.3
127.11284	1.2
127.61769	0.3
130.06526	0.3
131.03424	0.5
132.04633	0.5
133.02975	1.2
134.03767	0.3
135.04602	0.4
138.05637	0.4
139.11278	0.8
141.09288	0.7
142.06642	10.0
143.03540	0.5
145.07747	2.5
155.10765	1.9
157.12360	14.2
158.06131	1.0
158.12642	0.7
160.06429	7.3
161.04572	1.9
161.07225	11.2
162.07500	0.6
171.09248	0.4
171.13901	1.3
173.10844	1.1
175.08788	1.8
177.01965	1.0
179.05606	0.6
185.10570	0.5
185.11842	1.2
186.05618	5.0
187.08861	2.6
187.13419	1.0
189.06702	10.4
189.08366	0.8
190.07196	0.9
199.13390	1.7
201.10297	3.2
203.08266	1.5
203.12956	40.4
204.06688	3.3
204.13365	2.2
229.09839	7.7
230.10237	0.8
245.13841	1.3
277.11902	0.9
289.11911	0.8
305.11420	14.9
305.15469	0.6
306.11749	1.4
310.27551	0.4
323.12857	0.4
365.18170	100.0
366.11929	8.9
366.18527	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	365.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.8
57.03423	0.8
58.00578	1.2
59.01377	25.8
60.96740	0.4
61.73653	0.4
61.98827	0.5
70.00276	1.6
70.00706	1.1
71.01381	12.1
72.99310	0.8
73.02953	2.1
83.01390	1.7
85.02950	4.4
87.00874	1.1
89.02448	9.2
95.01392	0.7
96.96013	0.8
97.02969	0.4
98.19974	0.5
99.00887	0.7
101.02451	9.8
102.02757	0.4
113.02453	4.6
119.03529	3.0
127.11272	2.3
131.03601	0.5
139.11272	0.6
143.03552	0.6
145.07738	0.5
149.04602	0.5
155.10744	1.3
157.12352	11.7
158.12671	0.6
160.06358	0.7
161.04492	0.8
161.07196	1.6
171.13943	0.5
181.08727	1.1
185.11850	1.6
187.08727	0.5
187.13385	1.1
189.06721	2.1
198.00763	0.4
199.13428	1.0
203.12897	30.8
204.13214	2.3
205.46548	0.4
229.09732	0.8
236.88643	0.4
245.13933	1.3
305.11392	2.5
306.11557	0.5
347.16751	0.4
365.18158	100.0
366.18524	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	364.0665
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	1.2
61.98829	40.2
71.01385	0.9
71.53651	0.4
78.95908	45.6
89.07517	0.3
92.17342	0.3
96.96062	10.2
96.96967	100.0
98.02480	2.6
101.02412	0.6
108.02215	0.3
119.05127	0.3
119.84575	0.3
133.02931	0.5
134.04712	1.9
139.04034	0.7
146.08250	0.7
152.01199	0.3
161.04555	0.3
163.04013	0.4
167.03358	0.3
173.54164	0.3
177.01895	0.4
228.92291	0.4
251.32600	0.3
277.12314	0.3
349.61087	0.3
364.15378	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.0886
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05899	0.2
61.98829	100.0
71.41482	0.5
78.95897	0.4
96.96971	1.2
139.04036	1.9
143.28363	0.2
196.73273	0.3
234.81371	0.2
301.09247	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.1878
Annotation	Ser Ile Phe
Peak:m/z	Relative Intensity
59.01381	7.6
59.03077	0.4
60.01669	0.4
61.98813	1.4
71.01378	1.5
71.02507	0.6
71.57371	0.7
72.00906	4.4
73.02959	0.7
73.04076	10.2
80.96519	0.6
82.06626	0.7
83.02509	1.5
89.02463	0.5
95.05038	0.4
96.96020	12.2
97.95981	0.7
98.95602	1.8
101.02446	0.9
103.05138	1.2
104.03568	0.7
106.70336	0.5
112.07687	1.1
113.02450	0.7
114.34596	0.5
118.06640	0.9
120.99672	17.8
129.10353	16.8
130.08752	1.1
130.10686	0.7
133.54993	0.5
135.04460	0.5
139.08792	1.1
140.07188	4.7
141.10393	2.9
141.98369	0.4
143.11935	0.6
147.04541	18.6
152.01761	0.4
161.02444	0.9
164.07184	51.0
165.07518	2.8
168.11426	6.5
169.09853	3.6
181.09830	0.8
182.08313	1.2
186.12489	46.7
187.12859	3.4
198.12456	0.7
199.10912	7.7
216.13875	1.2
233.16597	12.6
234.16957	1.4
243.12344	3.8
277.15457	1.3
277.18405	0.6
290.18768	8.1
291.19070	0.7
302.18625	0.6
334.17685	7.5
335.17932	1.2
346.17667	1.7
364.08020	12.5
364.18781	100.0
365.07556	3.5
365.12708	4.1
365.19247	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	365.0363
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22910	3.1
57.03455	5.1
59.01374	15.9
61.98818	5.5
68.99816	4.1
71.01383	49.3
71.64246	4.8
78.95911	8.1
83.01379	10.9
85.02951	10.8
87.00893	12.4
99.00892	32.1
100.43336	3.1
101.02412	5.3
110.98513	5.5
111.00867	21.8
112.98830	85.8
113.99226	3.5
115.00364	5.8
124.98809	7.2
127.03984	3.3
129.01942	21.0
132.98398	3.1
142.99881	89.7
144.00206	7.2
145.01286	3.2
156.74223	3.4
172.99471	6.6
173.00928	100.0
175.02522	5.6
185.02162	4.9
191.05630	99.5
203.09032	3.6
248.93898	3.9
332.89636	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	365.0646
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23439	0.6
59.01377	12.8
61.98833	3.8
70.18463	2.0
70.18866	1.3
71.01389	2.5
71.86529	0.6
73.02943	1.0
85.02951	1.1
87.00860	0.8
88.01959	0.7
89.02455	1.5
96.96014	4.4
101.02450	1.7
103.91012	0.6
105.03442	0.8
108.02186	29.1
113.02499	0.7
113.09736	1.6
115.83506	0.6
123.04540	17.2
123.08135	1.1
124.04852	0.8
133.02989	5.7
135.04512	0.7
141.09216	8.0
143.07166	1.7
144.86378	0.7
146.08224	0.7
152.01170	29.4
152.02417	1.6
153.01500	0.9
160.04045	10.5
167.03510	100.0
168.03825	5.2
177.01920	3.7
185.08221	7.6
203.09280	9.1
329.08783	13.5
330.08975	0.9
365.05188	3.1
365.14429	7.6
366.08502	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	363.0755
Annotation	Sulfometuron methyl
Peak:m/z	Relative Intensity
50.23246	0.2
53.22491	0.2
58.00594	0.2
59.01378	9.1
60.35526	0.2
61.98817	0.5
68.99846	0.3
69.86214	0.6
69.86637	0.5
71.01387	2.5
72.00928	0.3
72.99287	0.6
73.02948	0.7
73.04068	0.3
77.86370	0.2
79.95737	2.0
80.96530	0.9
83.01376	0.5
83.05046	0.3
84.99328	0.3
85.02946	1.1
87.00854	0.2
89.02436	1.0
95.01409	0.4
95.05031	0.8
96.96019	88.0
97.03001	0.3
97.95961	0.4
101.02437	1.4
109.02967	0.3
113.02437	0.6
113.09790	0.3
115.92119	0.2
119.03551	0.4
119.05045	0.8
120.99663	0.5
123.08165	0.5
127.00311	0.2
129.10352	0.9
137.09715	0.8
138.97089	0.4
139.11336	0.3
140.07195	0.4
143.10794	0.3
145.06685	0.2
147.04526	1.1
149.83734	0.2
153.09244	0.4
155.10779	2.7
155.11949	0.3
156.11128	1.3
157.11394	0.7
164.05876	0.3
164.07172	2.5
168.11426	0.3
169.09836	0.3
186.12489	3.0
194.79178	0.2
199.09604	1.7
200.10092	1.1
201.10294	1.3
218.20995	0.3
233.16583	0.6
241.00261	1.2
243.94681	0.2
290.18842	0.5
319.08334	0.3
334.17865	0.6
335.07776	0.6
363.07535	100.0
363.23779	8.3
364.07852	9.8
364.18802	6.9
364.24017	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.9
57.03424	1.6
58.00586	1.3
59.01379	32.5
60.01701	0.7
61.98815	1.1
68.19954	0.6
69.03441	0.9
70.85714	1.6
71.01385	17.0
71.05006	0.9
72.99323	3.2
73.02948	2.2
81.01390	0.5
81.03497	0.6
83.01374	1.3
85.02962	5.1
87.00884	1.2
89.02449	14.5
95.01385	1.5
95.05048	0.9
96.96027	1.4
99.00869	0.7
101.02446	11.6
107.08651	1.5
108.04571	4.1
113.02458	5.8
113.06066	0.7
119.03503	5.6
120.87139	0.5
121.05315	1.5
121.10249	1.2
123.03250	6.2
123.04539	2.8
134.06064	0.6
136.07700	14.5
137.08035	1.0
138.05627	34.0
139.05940	1.3
139.11327	1.9
143.03529	0.7
149.02339	1.3
155.10892	0.7
161.04607	0.8
165.05585	22.9
166.05859	0.9
166.54353	0.6
167.03496	0.7
172.10849	0.7
176.01202	1.4
177.01962	5.2
179.05644	1.2
182.04576	2.6
183.10275	33.3
184.07657	0.7
184.10591	2.1
200.05981	0.7
201.11316	10.4
202.11792	0.7
212.05847	1.8
214.12563	2.8
227.08266	11.9
228.08659	1.3
242.10602	12.5
243.10835	1.0
257.12943	75.3
258.13281	8.7
301.11829	0.9
327.10693	1.6
334.83478	0.7
345.06845	1.2
345.10953	13.8
345.15109	1.0
346.11218	1.6
363.07755	3.5
363.12296	3.7
363.16592	100.0
364.16827	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	363.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
57.22231	0.3
59.01380	100.0
60.01727	1.2
61.98809	0.8
63.74720	0.3
68.18700	0.3
70.78635	0.3
71.01394	3.7
71.05030	0.3
71.57177	0.3
72.99308	0.4
73.02934	0.5
84.02213	0.4
85.02979	1.4
87.00847	0.4
88.46501	0.3
89.02443	2.2
90.98597	0.5
91.04018	4.6
96.96012	2.0
97.03062	0.3
100.65582	0.3
101.02448	2.1
109.02989	0.3
113.02480	0.9
115.00388	0.4
119.03488	0.5
120.01263	1.2
120.99702	0.5
121.03019	0.3
137.09775	1.4
139.11308	1.7
145.06602	0.4
155.10808	1.3
161.04619	0.3
173.06104	0.5
183.10300	1.4
201.11349	3.8
203.24612	0.3
209.11873	1.2
216.92818	0.4
219.06750	0.4
227.12920	0.6
229.14453	15.4
230.14803	1.3
247.06166	0.8
346.59882	0.3
363.07532	1.7
363.16727	11.9
363.23691	0.5
364.17157	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.0729
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37196	0.3
57.16394	0.3
59.01382	1.0
61.98830	100.0
64.08948	0.3
65.67094	0.3
69.09729	0.3
71.01386	0.3
71.27987	0.4
71.28301	0.3
78.95930	0.6
83.37576	0.3
96.97037	0.4
119.05065	1.2
120.05398	0.5
123.00896	0.7
123.04498	0.3
123.87322	0.3
137.02539	0.3
138.03282	0.4
139.03749	0.3
161.04614	0.3
163.04031	1.3
164.04431	0.5
166.78447	0.3
171.51294	0.3
234.81458	0.3
302.09995	0.4
378.01599	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.0729
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88954	0.4
55.75609	0.5
59.01379	4.4
61.98832	100.0
66.58929	0.4
69.81727	2.7
71.01389	2.3
72.53553	0.4
85.02982	0.7
93.03465	12.6
93.04031	0.8
94.03860	0.6
96.96047	1.3
98.20633	0.9
100.89512	0.4
101.02461	0.6
113.02481	0.6
115.00470	0.4
119.05051	6.3
120.05418	1.6
137.02463	35.3
138.02856	1.4
138.05673	0.6
140.07217	0.5
148.77805	0.4
163.04027	6.8
164.04350	3.0
165.05594	0.5
200.99654	0.8
206.60701	0.5
299.07730	6.2
300.08011	0.5
325.09509	0.5
326.09833	0.6
327.10074	0.7
363.16763	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.0883
Annotation	Unknow
Peak:m/z	Relative Intensity
58.28366	0.5
59.01380	2.9
59.24219	0.6
60.75294	0.5
61.98830	100.0
67.31714	0.5
68.39797	0.5
69.91171	2.7
71.01410	0.5
79.58579	0.5
101.09757	0.6
111.00980	0.6
135.04553	6.9
136.12730	0.5
136.47134	0.5
137.09773	0.6
140.07236	0.6
143.07121	1.1
143.36192	0.5
148.90079	0.5
179.03506	7.9
180.03845	0.6
182.70844	0.5
205.05249	0.7
233.04588	0.8
281.17657	1.3
292.91174	0.6
299.09308	8.6
300.09738	0.6
306.48505	0.6
311.42731	0.6
327.21732	1.0
363.10739	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.9891
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	12.0
60.01717	1.1
61.01791	0.3
61.52643	0.2
61.98830	100.0
68.92971	0.3
71.63717	0.3
76.34724	0.2
78.81485	0.2
78.82014	0.2
78.91851	0.3
79.81947	0.2
81.01068	0.2
92.14658	0.2
148.19817	0.3
158.00044	0.2
159.97414	1.1
161.01221	0.3
174.99295	1.2
175.99654	0.6
177.96753	0.8
178.98581	1.1
179.95540	0.5
200.91570	0.3
201.02570	1.6
201.89449	0.3
202.02776	0.4
203.02327	0.6
204.00009	5.9
204.02776	0.7
206.97404	0.6
217.00319	3.4
217.98106	0.4
218.00581	3.6
219.00635	0.9
219.89973	0.8
219.97758	51.8
220.95251	0.3
220.96144	0.3
220.98109	0.7
220.99733	4.2
277.96841	0.3
277.99579	0.5
310.77069	0.2
319.98032	0.7
320.00977	0.4
361.99121	3.2
362.02545	0.7
362.99518	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1504
Annotation	5-Deoxylamiol
Peak:m/z	Relative Intensity
58.24062	0.4
58.91315	0.4
62.22144	0.4
69.67757	3.3
73.02970	1.8
81.83265	0.5
85.02971	0.4
98.20709	0.4
104.12422	0.4
109.97713	0.4
121.02984	1.2
122.03783	0.8
135.08203	1.3
136.59682	0.5
137.09744	6.6
147.04539	0.8
150.27357	0.5
152.76480	0.4
155.10789	100.0
156.11136	5.3
161.04512	0.5
165.05624	1.1
179.05646	0.5
181.08643	0.8
188.70488	0.4
199.09760	68.0
200.10133	4.6
330.97946	0.4
361.15002	33.5
362.15262	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	361.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51300	0.6
52.49324	0.6
55.01867	1.7
55.32077	0.6
57.03439	2.2
58.00598	1.2
59.01377	37.7
60.01712	0.8
60.99292	2.3
61.98820	2.3
67.01887	5.8
69.03443	1.9
70.09328	0.6
71.01380	15.3
71.09995	0.9
71.10329	1.3
72.99297	1.2
73.02958	3.9
76.09160	0.6
81.03459	1.8
83.01395	2.2
83.05025	1.3
85.02954	7.3
86.00126	0.8
87.00885	10.4
89.02438	3.2
93.03467	44.9
94.03780	1.7
95.01403	1.4
97.02953	0.6
97.13854	0.6
99.00886	1.9
99.04469	1.0
101.02452	10.8
108.06860	0.7
109.02980	5.7
111.00872	1.0
111.04537	7.4
112.04920	0.7
113.02469	5.2
119.03490	1.6
121.02969	21.4
122.03766	12.5
123.04533	2.2
124.01673	1.9
129.01973	1.2
134.03691	0.9
135.04517	2.3
136.05229	0.6
137.02455	3.6
143.03484	0.8
147.04547	9.6
148.05228	0.8
149.06102	1.7
153.12880	0.9
154.02724	2.4
155.03487	2.1
161.04559	1.0
161.06087	2.5
164.04826	0.8
165.05588	28.5
166.05887	1.1
168.04350	0.6
173.03143	1.3
173.04581	19.3
173.06047	0.9
174.04915	1.0
175.07494	0.8
178.06270	0.9
179.07152	9.6
181.12306	2.0
187.13397	7.9
191.05623	8.5
191.07211	1.1
199.13400	7.8
209.08203	1.2
209.11823	22.1
210.12090	1.2
223.09781	1.2
227.12836	0.8
301.19907	0.9
315.12418	2.4
319.17401	0.9
326.04410	0.9
346.14169	7.2
347.14688	0.8
361.18402	100.0
362.18759	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	361.1506
Annotation	Gibboside
Peak:m/z	Relative Intensity
57.03446	0.6
58.00585	0.5
59.01381	8.3
61.98841	0.4
62.51993	0.2
67.19502	0.2
70.98569	0.5
71.01375	2.3
71.03488	0.2
72.99308	0.2
73.02950	3.2
83.01392	0.3
85.02952	1.6
87.04526	2.5
89.02470	0.8
95.01434	0.4
97.02959	0.2
101.02440	1.3
104.96664	0.3
109.06636	0.2
111.04543	0.6
113.02487	2.7
115.00356	0.4
119.03549	0.2
122.06167	0.3
133.01454	0.6
135.08174	1.5
137.09741	10.6
138.10103	0.7
139.11313	0.9
146.04872	0.3
148.04053	1.1
149.04567	0.2
151.11272	0.3
155.10797	95.1
156.11143	5.6
161.04570	0.4
161.07199	1.1
169.12331	1.4
170.12619	0.2
181.08727	1.1
181.12390	0.3
185.11787	0.3
192.03015	0.8
199.09766	100.0
200.10118	6.8
212.10796	0.5
213.11397	1.1
235.58418	0.2
241.10825	5.2
242.11205	0.5
243.12447	1.1
255.11363	1.3
256.52722	0.3
269.04556	0.4
277.64255	0.2
287.79419	0.2
289.11923	0.8
304.13354	0.3
317.11536	0.3
343.09174	1.0
361.10132	0.5
361.15042	2.0
361.22226	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	361.1506
Annotation	5-Deoxylamiol
Peak:m/z	Relative Intensity
56.69775	0.3
57.03450	0.5
59.01381	2.3
61.98829	4.3
69.40276	2.3
71.01385	1.2
72.99304	0.4
73.02945	3.1
85.02949	0.9
87.00892	0.8
88.98786	0.4
89.02470	0.8
92.31065	0.3
97.02976	1.2
97.91681	0.2
99.00857	0.5
101.02463	0.7
105.15239	0.3
112.03986	0.3
113.02509	0.4
119.03538	0.3
119.08718	0.3
120.99647	0.7
121.02950	0.3
123.69014	0.3
127.00364	0.5
134.06087	0.3
135.08170	1.1
137.09741	7.0
138.10135	0.4
139.00343	0.6
155.10796	100.0
156.11121	6.0
161.04585	0.6
162.05576	0.4
169.00098	0.3
178.05051	0.3
179.05598	0.5
181.08720	1.0
181.99699	0.6
191.05659	0.9
197.99211	3.0
198.99985	6.3
199.09764	68.9
200.10129	4.2
255.11354	0.9
317.11182	0.3
317.14963	0.4
343.09256	0.3
343.13669	0.3
361.05481	6.3
361.15021	37.1
362.05432	0.9
362.15237	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	361.106
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13953	1.2
50.72445	1.2
56.84200	1.2
57.03440	1.5
59.01379	10.8
61.98819	2.4
65.53855	1.2
69.40865	14.8
69.71048	1.2
71.01389	7.3
72.99274	1.7
73.02957	7.0
74.53690	1.2
83.01382	2.1
85.01187	1.2
85.02950	3.9
87.00891	1.5
89.02438	3.4
97.02959	21.0
99.00890	2.1
101.02444	4.7
106.06683	1.5
110.06110	1.7
113.02464	3.2
119.03483	1.9
120.99664	3.9
122.06139	2.4
127.00346	4.2
134.06163	7.2
135.08176	1.6
137.09741	10.0
138.03233	1.7
138.05565	2.8
155.10797	100.0
156.11093	5.3
161.04541	1.9
178.05099	9.4
179.05487	2.7
181.08778	9.6
189.00415	1.8
191.05586	4.7
197.99251	2.3
198.99954	4.3
199.09761	73.7
200.10043	3.7
267.11279	1.2
299.10135	1.5
299.13953	2.6
317.11264	1.8
340.05453	1.6
343.14032	1.5
361.05054	5.0
361.10016	7.4
361.14929	50.9
362.15274	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	361.1143
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	2.7
58.00613	1.6
59.01380	86.8
60.01703	1.9
61.41270	1.6
61.98833	25.2
68.66335	1.3
71.01385	72.2
71.70460	2.2
72.99314	4.9
73.02950	16.6
74.02489	2.3
83.01393	5.8
83.05040	4.4
85.02978	9.8
87.00897	4.3
89.02451	20.9
93.03548	1.5
93.07102	4.1
95.01378	2.8
96.96032	6.3
97.02966	17.7
97.60601	1.4
98.52594	1.4
99.00890	4.2
101.02456	22.3
107.08656	2.9
109.06609	2.2
111.04546	1.9
113.02458	8.5
113.06079	1.5
119.03510	8.2
119.05017	8.5
119.08697	15.8
120.99670	3.3
122.06155	2.8
123.04542	1.8
127.00403	3.0
134.06140	3.2
135.08185	2.6
137.09711	5.0
138.01997	17.9
139.02351	12.9
139.07675	1.8
143.03572	1.8
145.02986	3.2
148.04030	7.1
151.90953	1.4
153.09341	1.7
155.10800	9.2
161.04742	4.5
162.05643	3.8
163.04025	13.6
163.07640	5.9
164.04272	1.5
167.07112	2.2
178.05170	2.9
181.08763	17.0
191.03918	1.4
191.05647	4.5
192.03056	4.7
199.09785	27.4
200.07237	2.5
212.10777	1.9
230.12009	2.6
255.11351	7.5
273.12393	4.9
275.11490	10.4
299.10541	3.2
317.11414	4.5
317.15024	2.8
325.09109	1.5
340.05374	2.7
343.09430	2.4
361.09930	17.7
361.15051	100.0
362.15146	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	359.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93844	0.8
57.03440	1.1
59.01379	77.7
61.98830	21.6
66.12402	0.9
66.99408	0.9
69.83994	1.4
69.84409	4.2
71.01381	10.9
72.99309	1.7
73.02949	2.8
74.02470	2.6
83.01386	1.9
85.02972	3.9
85.57883	0.6
87.00887	1.9
87.34090	0.8
88.04032	0.9
89.02444	10.0
91.56870	0.8
93.03463	2.0
95.01398	2.1
95.89130	0.8
96.96036	4.7
97.02923	0.9
98.20674	1.1
99.00891	1.6
101.02460	8.5
103.17708	0.9
107.05043	21.9
108.02169	3.7
108.05432	0.9
109.03001	0.9
112.28352	0.8
113.02453	5.5
113.03636	1.1
116.03516	1.0
116.07225	1.2
118.98116	1.0
119.03572	5.3
119.05041	26.0
127.00423	2.0
130.08759	0.9
131.04642	2.0
132.03021	2.3
133.34680	0.9
135.04520	2.8
137.06104	100.0
138.01990	60.0
138.02853	0.9
138.03094	1.3
138.06454	4.1
143.03522	1.3
156.76619	0.9
161.04521	2.8
177.05571	1.3
179.05716	1.5
182.02209	1.8
182.05814	1.2
191.05638	10.8
195.06654	2.6
196.06976	1.5
197.04510	1.4
197.06897	1.2
197.08401	1.2
299.11349	12.4
300.11624	1.0
339.04965	2.2
359.00479	1.0
359.09976	3.8
359.13745	1.9
359.20221	2.8
360.10901	2.3
360.16504	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1995
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39123	12.7
56.27712	15.1
57.68224	14.9
59.01376	40.7
60.39441	14.6
61.98837	100.0
70.81419	17.8
70.81781	47.2
86.73621	14.8
99.31160	13.8
115.92065	32.8
260.17859	15.4
300.35840	15.5
313.56461	16.8
359.14850	26.2
359.27686	47.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1992
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	100.0
61.98820	35.3
67.20991	19.8
71.67065	18.5
90.81023	20.3
99.67502	17.5
138.05553	18.4
184.02304	16.6
219.45296	20.4
230.45163	20.9
274.62411	17.4
277.21762	32.4
359.15219	54.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.2203
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28316	0.4
51.43075	0.4
59.01377	23.9
61.98829	1.3
68.41297	0.5
69.25687	0.4
69.69138	3.4
71.01384	0.4
133.71519	0.4
136.48076	0.4
167.41307	0.4
173.87827	0.5
259.20709	0.4
277.21713	100.0
278.22067	11.3
359.22040	27.2
360.22437	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	359.2553
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02976	1.2
59.01377	2.8
61.98812	1.8
64.48970	0.4
70.02981	5.4
70.71182	1.0
71.01376	1.9
71.02507	2.7
72.00899	2.2
88.04051	10.9
88.04582	0.6
95.02515	6.3
107.89550	0.4
111.02028	3.2
113.03587	34.5
114.01984	26.6
115.00383	3.7
115.02347	1.0
115.07695	0.9
119.04974	0.4
121.02988	0.8
131.04637	100.0
132.03043	37.2
132.05029	2.9
167.64774	0.4
170.94377	0.4
174.01682	0.5
181.12329	0.6
189.00529	0.4
199.13443	1.3
207.10196	1.0
225.11336	1.8
243.12247	1.1
253.18843	0.4
342.22906	0.6
349.52975	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	1.5
61.98829	1.3
70.02985	0.4
71.01378	3.0
71.61391	0.3
72.00906	0.5
75.00876	0.3
76.95115	0.2
77.14683	0.2
80.66465	0.2
88.04047	27.1
89.04397	0.4
100.97066	0.3
107.78901	0.2
112.98865	0.2
113.03575	0.3
114.01975	2.7
115.00389	9.8
128.96577	0.3
131.04620	1.4
132.03044	100.0
133.03427	2.2
135.03046	0.5
138.05574	0.3
142.99843	0.4
163.04019	0.5
173.00932	0.5
254.21315	0.5
269.90369	0.2
342.22772	0.9
360.23999	0.3
365.04819	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.0147
Annotation	Unknow
Peak:m/z	Relative Intensity
55.60197	0.3
56.78547	0.3
59.01377	81.4
60.01710	0.8
61.98821	1.6
70.07286	1.4
72.99309	1.1
73.02942	0.3
75.60868	0.2
75.68673	0.2
90.97152	0.6
92.89082	0.2
98.20597	0.5
114.98900	1.1
115.02553	0.3
130.45667	0.2
132.98195	2.0
156.90880	1.0
156.99979	2.6
157.03574	2.5
157.90842	0.3
159.01503	2.2
161.98964	0.4
174.99265	22.9
175.99651	0.8
198.91928	1.2
201.02570	24.9
202.02692	2.3
217.00308	100.0
217.97980	0.8
218.00668	3.5
274.99484	0.8
299.00943	1.0
317.00708	1.8
318.01334	0.3
333.86508	0.3
342.83578	0.4
358.94360	0.3
359.01505	7.4
360.01819	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.0986
Annotation	Syringic acid beta-glucopyranosyl ester
Peak:m/z	Relative Intensity
58.00578	0.6
59.01379	14.2
60.01701	0.3
61.98832	0.6
70.75740	1.3
71.01381	4.4
72.99319	0.5
79.99559	0.4
83.01419	0.3
85.02962	0.9
87.00874	0.6
88.04154	0.4
89.02452	4.5
95.01376	0.4
101.02460	1.7
109.02966	0.7
113.02470	1.6
115.00392	0.4
119.03516	1.4
120.99641	0.7
123.00933	1.1
124.01686	1.0
125.02466	1.0
127.00416	0.4
131.03563	0.3
135.04515	1.4
136.01762	0.4
137.02469	1.5
137.03474	0.3
137.06096	4.8
138.03246	6.6
138.06422	0.4
139.00394	1.0
139.04022	0.8
140.01192	0.3
143.03511	0.5
152.01151	0.5
153.01965	3.5
153.05565	1.4
161.02484	0.5
161.04567	1.5
164.01230	1.0
165.01926	1.6
170.02336	0.5
179.03481	0.7
179.05640	1.0
181.01468	3.9
181.67212	0.4
182.02231	71.9
183.02528	3.8
189.00497	0.4
191.05652	1.6
196.03767	1.4
197.04572	100.0
198.04897	5.0
215.93091	0.3
246.03885	0.4
294.92044	0.4
341.15012	0.4
359.09836	32.5
360.10114	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	359.1171
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05246	0.5
57.03461	1.2
59.01381	7.2
61.98824	0.9
69.31387	5.4
71.01382	3.2
71.05025	15.3
74.99103	3.3
75.00900	1.0
82.99612	1.6
83.05032	0.7
85.01192	2.1
85.02952	1.8
87.00889	1.8
88.85152	0.5
89.02442	0.9
90.49795	0.5
93.03490	1.8
93.09899	0.6
96.96012	0.8
101.02417	0.8
107.04908	0.6
110.99120	32.0
111.02744	3.6
111.99429	0.6
113.00671	1.0
113.02472	2.8
115.07693	0.8
118.28097	0.6
120.99672	100.0
122.00040	2.7
123.04520	0.5
129.02037	0.6
133.03136	0.6
135.04532	1.3
139.02275	1.3
143.01743	36.9
143.81911	0.5
144.02103	1.2
147.04567	0.5
148.03592	0.6
149.06154	0.8
153.09261	5.7
153.12862	10.4
154.13312	0.7
157.06696	0.9
173.04633	0.8
179.10733	1.0
181.12469	0.8
184.89900	0.6
191.05650	3.1
193.06985	1.1
193.12436	0.6
195.08476	1.6
197.08258	5.6
197.11838	36.6
198.12097	2.7
205.08690	7.5
206.08958	0.7
207.10254	3.8
211.07961	1.5
237.05911	4.4
237.11292	1.3
239.07477	11.5
239.12915	1.3
243.12276	1.0
271.10056	13.0
272.10461	0.8
280.38867	0.7
317.19946	0.6
327.09024	3.2
328.09473	0.7
353.69864	0.6
359.08176	1.0
359.11838	1.9
359.15863	0.8
359.20813	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	358.1145
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	0.9
59.01378	8.9
61.98829	2.3
69.79778	0.4
71.01388	3.4
71.57642	0.6
73.02939	0.5
85.02955	1.5
85.24717	0.4
85.94633	0.4
87.00905	1.0
89.02466	1.2
93.03477	2.4
95.01405	0.7
96.96015	1.7
97.07587	0.4
101.02448	1.1
108.08205	100.0
109.08533	3.7
113.02421	2.0
115.00383	2.1
117.05843	0.8
120.08212	3.6
132.08192	1.6
133.02928	0.4
134.03699	0.5
134.06104	0.5
135.04553	0.8
136.01671	0.7
136.07718	0.9
137.01950	0.6
139.11270	2.7
147.03308	1.4
148.07687	1.8
149.53508	0.4
151.03999	1.5
152.07190	84.4
153.07559	3.4
161.02422	1.1
164.07182	1.1
166.08748	16.8
167.09119	0.6
173.04579	1.4
176.07166	1.1
181.12366	1.5
183.10262	3.8
191.05617	5.7
194.08223	8.9
195.08655	0.4
196.06157	62.7
197.06552	3.9
197.11909	0.6
199.13475	0.8
199.93848	0.4
202.27885	0.5
203.72586	0.5
225.11307	0.8
227.04643	0.7
232.06224	0.5
238.07187	10.0
239.07460	0.8
241.14333	0.5
243.07777	1.7
243.12372	16.3
255.07747	0.6
271.10764	0.7
280.08203	0.6
298.09354	6.9
299.09634	0.6
315.10013	0.5
324.06064	0.4
358.11362	13.3
359.08310	4.5
359.15637	0.7
359.20587	1.1
366.24768	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
55.13204	1.2
57.32804	1.4
59.01379	2.3
61.98830	100.0
69.55853	12.2
71.01396	1.5
86.39390	1.4
91.43689	1.2
92.06533	1.3
99.92601	1.3
104.79766	1.2
108.58244	1.4
111.00807	1.3
115.92085	9.8
135.45706	1.4
136.76401	1.3
147.04506	6.5
172.84789	1.3
299.20593	1.4
358.27536	17.7
359.27875	4.5
378.44968	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1193
Annotation	Grevilloside E
Peak:m/z	Relative Intensity
54.15960	0.2
56.42131	0.2
56.50217	0.2
56.90511	0.2
59.01377	17.0
60.01731	0.3
61.98824	0.6
64.27986	0.3
71.01372	1.2
72.99329	0.3
85.02984	0.4
88.04036	0.5
89.02424	0.4
101.02460	0.6
108.02187	1.7
113.02443	0.6
115.08789	0.3
118.98093	0.3
119.05035	1.7
121.02971	1.4
123.04543	2.9
124.01665	1.2
125.02447	0.4
130.08742	0.8
133.06670	0.3
134.03748	1.0
135.04549	8.3
136.05322	10.9
137.05675	0.7
149.06128	0.6
150.03252	0.7
151.04024	2.5
151.07661	3.5
159.04573	0.3
161.04608	0.3
162.03186	0.6
168.78719	0.3
177.05513	0.4
179.03473	0.3
180.04341	0.3
187.24393	0.3
195.06636	100.0
196.06982	6.9
196.99724	0.3
357.08023	0.4
357.11972	2.6
357.21573	1.5
358.19742	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1192
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	0.5
58.02958	0.8
59.01377	100.0
60.01724	1.2
61.98833	3.3
63.50312	0.4
70.00389	1.9
70.02988	0.9
71.01370	2.3
73.02948	0.5
74.02483	0.7
82.74078	0.4
83.05073	0.6
85.02977	0.4
89.02454	0.7
93.03466	17.0
94.02958	0.4
96.00938	1.9
96.96048	0.7
98.02496	1.5
99.00890	1.4
99.92589	2.8
100.93401	0.5
108.02186	0.5
109.02966	0.5
113.02474	0.5
114.01982	1.6
114.05624	0.7
115.92085	3.7
116.92104	0.5
116.92883	1.4
123.04555	1.1
130.08725	2.5
131.04622	0.6
134.03775	0.8
135.00972	0.9
135.04521	3.1
138.01964	0.8
145.02966	0.9
151.04047	0.6
152.04794	0.9
153.01959	1.0
153.05591	1.6
161.04657	0.8
161.05920	0.5
162.70627	0.5
168.96024	1.2
178.02800	0.6
179.02170	0.6
179.03444	2.7
179.07137	0.5
180.04289	72.7
181.04659	3.5
191.05640	1.2
193.05096	0.7
194.05806	0.8
195.06633	70.6
196.06981	4.1
197.11848	0.9
210.97078	2.7
226.11938	0.8
241.10680	0.9
242.13950	2.1
246.97050	1.2
262.96497	0.7
269.11514	2.4
296.15030	0.9
314.13544	1.7
321.09750	0.5
339.15707	0.6
342.10931	0.6
357.00735	4.5
357.11838	15.0
357.16519	4.7
357.20895	0.7
358.00839	0.8
358.12442	1.3
358.17126	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1193
Annotation	Unknow
Peak:m/z	Relative Intensity
56.98032	0.4
57.03441	0.4
59.01381	4.2
59.80832	0.4
60.16845	0.4
61.98820	1.3
65.14871	0.4
71.01385	1.5
71.57111	0.6
74.02482	0.6
78.95908	1.1
83.01400	0.4
83.05061	0.4
85.02972	0.7
91.01917	1.0
91.89401	0.4
93.03465	1.0
96.96009	1.5
96.97021	0.5
101.02432	0.7
109.01755	0.5
115.00388	0.7
116.95189	0.4
118.98122	0.8
121.02975	0.5
123.00858	0.6
123.08175	0.4
128.36279	0.4
130.08781	2.4
133.01431	0.5
134.03752	0.4
135.00906	2.2
135.04515	1.5
139.00372	0.5
149.02469	0.5
149.06070	0.4
151.00212	0.4
151.04005	0.9
151.07712	1.1
152.04790	1.6
153.01956	1.8
161.04576	0.7
167.01807	0.5
167.03525	1.4
177.01874	0.5
179.03514	3.0
180.04298	100.0
181.04631	5.7
191.05603	1.0
193.05064	1.6
194.05524	1.6
195.06642	96.6
196.06973	5.8
197.11827	1.1
209.04565	0.6
241.10886	1.1
250.68573	0.4
328.18854	0.6
340.18674	0.7
357.11948	23.5
357.21555	2.8
358.11993	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	357.1194
Annotation	Grevilloside E
Peak:m/z	Relative Intensity
53.73199	0.4
58.00597	0.5
59.01379	29.7
60.01723	0.6
61.98831	4.0
63.02396	0.7
69.58411	3.3
71.01384	7.4
72.45428	0.4
72.99321	0.8
73.02959	0.8
74.02474	0.5
78.95862	0.5
83.01383	0.7
85.02957	1.5
87.00880	0.8
88.04045	5.2
89.02449	6.1
92.98391	0.6
95.01366	0.8
96.77252	0.5
96.96018	1.5
101.02454	5.5
108.02205	1.9
109.02961	2.1
113.02431	3.0
115.00392	0.5
115.08789	3.9
115.92142	0.5
116.07201	2.8
118.98093	1.6
119.03525	2.5
119.05021	2.2
120.99660	0.5
121.02956	2.0
123.04523	2.9
124.01684	1.4
125.02415	0.6
129.10347	1.1
130.08757	3.4
133.01472	0.6
133.06644	0.5
134.03748	2.6
134.04758	1.9
135.04509	10.5
136.05333	10.6
137.02533	0.5
137.05661	0.6
143.03481	0.8
149.06104	0.5
150.03229	0.7
151.03993	2.6
151.07700	3.3
152.07152	0.6
153.01888	1.0
153.05565	0.5
161.04562	0.8
162.03246	20.4
163.03751	1.0
166.08791	0.4
177.05588	29.2
178.05937	2.9
179.03506	0.5
179.05753	0.5
180.10243	0.7
183.11407	0.6
185.16629	1.7
193.04996	0.6
194.05420	0.5
195.06639	100.0
196.07016	5.7
201.12523	0.9
209.04601	0.5
209.64128	0.4
210.16382	0.5
228.17136	0.5
232.09955	0.5
242.18739	0.9
249.73935	0.4
254.64386	0.5
357.08246	0.8
357.11850	2.1
357.21442	14.0
358.19424	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	356.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86202	1.5
57.07891	1.6
59.01374	7.5
61.98831	100.0
65.66015	1.6
69.86027	11.0
71.01390	3.9
96.72259	1.7
98.19978	2.2
121.02969	7.0
128.03532	1.5
142.99838	3.8
215.03484	3.1
244.03862	4.4
356.21466	5.2
357.06085	2.0
357.17133	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	356.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	2.5
61.98832	100.0
68.27821	1.7
70.77882	5.8
89.11705	2.0
121.02930	3.8
205.50935	1.8
332.91742	2.3
372.47586	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	356.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29955	0.5
53.01246	0.6
57.03442	2.0
59.01376	7.8
61.98817	3.2
68.27693	0.8
71.01373	2.0
71.05027	8.6
71.66602	1.2
71.87826	0.6
74.02442	0.8
81.03461	18.6
83.05031	100.0
84.05359	2.9
84.08207	1.3
85.02962	0.8
85.06580	1.5
86.02494	6.2
87.00894	0.8
93.03474	1.5
95.05051	1.4
96.96030	3.8
100.07687	1.4
101.06088	15.3
102.06432	0.9
104.87378	0.7
111.08140	1.0
113.02486	0.6
113.06072	1.9
113.09750	1.3
114.09267	2.4
121.69355	0.6
121.86653	0.6
122.06116	1.5
123.04539	2.1
124.07701	0.7
125.09709	1.3
126.09296	0.7
127.04046	4.2
129.10371	1.0
130.08755	4.7
131.07161	2.3
133.03014	0.9
134.04762	0.9
135.04514	1.3
136.07706	1.4
139.07686	1.4
142.08730	8.5
143.09074	0.9
143.10793	14.3
144.10292	1.8
145.05084	42.4
146.05420	0.9
149.06087	1.2
150.05621	0.8
157.08673	1.8
160.05319	1.2
164.04918	0.6
164.10843	0.8
165.03802	0.8
170.08278	1.9
173.04601	0.7
176.10797	0.8
177.05600	3.7
178.06354	1.0
180.14018	0.9
185.11833	9.6
187.04082	0.8
188.04752	1.1
188.09293	25.7
189.09616	0.8
191.05594	1.8
191.07196	1.5
192.13832	0.8
195.06696	2.6
197.11852	2.5
199.18169	1.6
203.07184	4.2
205.12721	0.9
206.05783	0.9
209.04570	1.0
210.15009	1.8
215.12907	2.3
221.08199	2.9
224.06912	1.0
228.16057	2.3
241.00148	1.4
241.10876	0.8
242.13969	11.3
269.14005	1.5
294.17227	0.9
297.12717	0.8
303.13559	1.1
308.18796	2.8
312.26767	0.8
313.10678	0.8
327.12231	0.8
336.33176	0.7
338.19678	10.7
339.12509	2.1
339.20212	0.9
356.20908	35.6
356.25519	4.9
357.08994	1.8
357.13821	2.7
357.20972	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	356.1069
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33669	0.8
56.92381	0.8
59.01376	7.0
61.98828	2.7
63.02391	2.3
65.04722	0.8
71.01387	3.6
71.56739	1.1
73.02946	0.9
83.01407	0.9
84.73445	0.9
85.02969	3.7
86.03300	1.6
87.00884	1.3
87.03379	1.0
89.02422	1.1
93.03476	1.4
96.00881	1.2
96.96088	0.9
98.02508	1.0
101.02425	2.3
107.01396	2.9
109.02969	3.4
111.00947	0.9
113.02467	1.4
118.98047	1.0
120.99635	1.2
121.02982	2.5
123.04521	2.3
129.06699	1.2
130.08762	2.7
132.02206	1.6
133.02950	2.6
134.03764	52.1
135.04086	48.0
137.02457	6.4
138.02798	7.1
139.03998	3.6
140.04317	1.4
149.06105	15.0
150.06448	14.8
151.03874	1.8
153.01915	2.1
153.05571	0.8
157.51758	0.9
160.01665	3.7
161.02008	4.8
161.04489	1.0
165.01991	2.0
165.20868	0.8
175.04022	6.2
176.04320	8.4
178.02728	28.8
179.03065	30.2
180.03174	1.9
191.05667	10.3
191.07196	1.5
192.05968	12.5
193.04883	59.1
194.05328	100.0
195.05380	6.1
214.30336	0.9
356.10663	4.3
357.08578	1.0
357.17786	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	356.1715
Annotation	3'-Acetylindicine N-oxide
Peak:m/z	Relative Intensity
52.43496	0.6
54.38655	0.4
57.03438	3.2
59.01376	17.5
60.01723	0.5
60.99297	0.7
61.98818	1.6
69.83974	3.0
71.01382	0.8
71.05013	0.6
72.00912	14.4
74.02476	44.9
77.76296	0.4
83.05025	0.7
86.02488	5.8
87.00893	0.7
89.02426	0.6
93.03452	2.6
96.96027	0.6
97.06592	0.8
98.20599	0.6
104.03545	100.0
105.03881	1.7
107.08678	1.6
108.40886	0.5
109.06584	2.0
110.45690	0.4
111.04494	0.8
121.06600	1.5
124.07625	0.6
130.08759	1.5
133.70108	0.4
141.65096	0.5
173.04581	1.5
179.98810	0.5
189.12939	2.2
191.05598	2.8
191.10814	1.4
195.06668	0.6
196.39575	0.4
207.13905	7.9
208.14192	0.8
209.11833	0.7
234.15070	0.6
251.12859	1.9
254.49985	0.5
264.16010	1.5
266.13965	4.3
269.13940	1.9
294.17221	2.7
296.15103	3.1
308.15063	1.3
326.16089	5.5
326.92938	0.5
327.16342	0.7
337.09293	0.5
338.16125	4.7
356.17133	95.9
357.17694	10.3
357.26404	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	356.0989
Annotation	cyclo-Dopa 5-O-glucoside
Peak:m/z	Relative Intensity
59.01380	2.6
61.98827	0.8
68.12757	0.3
70.78578	0.7
71.01377	1.2
77.53439	0.3
83.05016	1.1
85.02962	1.1
93.03485	0.3
93.54993	0.2
94.06693	0.2
95.01396	0.4
95.16102	0.2
101.02466	0.7
106.06636	100.0
106.12661	0.2
107.06305	0.4
107.06966	4.0
108.08201	5.7
108.08906	0.4
110.59583	0.3
113.02479	1.4
118.06660	0.8
118.82454	0.2
120.08212	0.9
128.03488	0.3
130.06638	0.7
130.08742	0.3
131.03767	1.4
131.07155	0.4
132.04477	0.5
133.02985	0.3
134.06165	0.5
135.04568	1.3
136.04132	0.3
136.07655	0.3
139.07663	0.8
146.06108	0.4
150.05620	54.0
151.05972	2.6
154.84615	0.2
157.08708	0.8
162.05612	0.7
164.07182	11.2
165.07515	0.5
174.05606	0.9
174.11308	0.4
179.03423	0.3
189.24286	0.2
192.06685	6.8
193.06920	0.4
194.04585	31.3
195.04921	1.6
199.09758	0.7
232.93030	0.3
236.05640	4.1
241.10812	0.4
266.06534	0.6
296.07755	4.5
297.08099	0.6
356.09857	12.4
356.20834	1.1
356.25272	0.5
357.10117	1.6
357.14835	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.1034
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	18.4
60.01701	0.3
61.98830	6.2
64.07806	0.2
66.69781	0.3
69.61513	2.5
71.01380	0.4
75.00886	1.3
83.01368	0.4
88.04036	0.4
92.02544	0.5
93.03454	0.8
98.19936	0.6
101.02463	0.5
103.68166	0.2
107.03654	3.1
113.02406	0.4
114.05586	0.8
121.02946	0.4
123.04527	6.9
130.08780	0.4
134.04736	100.0
135.04190	1.3
135.05112	1.7
136.05299	0.8
137.02461	2.2
149.06108	0.7
150.06529	0.3
151.04005	2.5
151.07671	0.4
153.01955	0.3
153.05576	9.6
162.03242	0.5
168.60660	0.3
177.05571	1.1
178.02718	0.7
179.03099	1.0
180.04456	0.3
180.10274	0.4
193.04990	1.9
194.05385	3.1
195.06641	10.2
197.07826	0.3
204.41769	0.3
214.27042	0.3
243.65083	0.3
296.08212	4.0
342.74457	0.2
348.15625	0.3
356.10168	0.3
356.18304	0.3
357.08560	0.7
357.21692	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2602
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02972	75.4
59.01376	29.8
60.51404	2.4
61.98815	8.3
64.33369	2.8
70.02979	5.1
70.09288	14.3
71.01395	7.9
72.00900	3.7
72.30586	3.0
72.72744	2.5
82.30509	2.7
85.02954	7.4
85.04101	3.3
96.00913	5.3
96.96000	4.2
97.53697	3.1
99.00886	4.5
99.43793	3.5
112.98838	5.0
137.55707	2.9
142.99850	10.7
154.99884	11.3
173.00948	12.1
174.01735	45.0
183.01247	8.5
236.23799	14.3
237.14890	2.9
259.04199	2.8
262.21732	9.8
279.24429	100.0
280.24823	8.5
284.03326	3.4
311.26932	6.1
312.25333	4.0
320.42856	2.8
323.23505	5.3
337.01932	5.1
355.18958	13.1
355.25928	42.2
356.26230	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2602
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02975	69.9
59.01388	18.1
60.37086	3.4
61.98825	14.3
70.02970	11.3
71.01378	7.2
71.66487	3.8
72.00915	9.4
85.02959	5.3
91.90653	3.3
96.00917	24.2
107.63551	3.4
114.01942	5.6
142.48933	4.1
149.02382	3.5
154.99890	3.6
174.01727	7.5
183.01181	30.0
199.00742	3.8
208.20738	4.7
220.20580	3.3
236.23785	11.8
237.14922	4.5
252.19814	4.4
262.21634	29.9
279.24393	90.9
280.24686	11.8
287.62573	4.4
290.69394	4.2
306.20398	3.8
311.27026	5.0
312.25406	5.5
323.23425	4.1
337.24774	3.9
338.23126	5.3
355.19608	43.5
355.25958	100.0
356.19717	4.7
356.26431	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	355.1763
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	5.3
57.03441	1.5
58.19425	0.9
59.01361	2.2
61.92296	1.0
68.99812	1.3
70.44341	3.8
70.96866	1.0
71.01383	11.1
72.99301	3.0
73.17410	1.1
80.02679	1.3
83.01396	11.0
85.02958	3.0
85.24026	1.1
85.47556	1.2
96.47039	1.0
97.06512	1.0
99.00859	3.9
106.04192	1.4
112.98817	1.6
115.00365	1.6
120.73649	1.1
122.03735	2.0
124.98797	10.9
125.06281	1.0
127.00364	2.0
130.59393	1.1
138.03175	1.7
142.99873	24.4
152.98282	1.4
154.99884	60.3
156.00215	1.8
173.00928	74.0
174.01627	6.4
179.14331	1.2
181.15981	10.3
183.01302	1.3
193.15892	1.5
195.17543	2.4
207.17484	2.6
209.15459	3.4
209.19128	8.5
219.17513	2.6
221.19075	1.7
223.17015	4.2
225.18575	3.2
235.17043	2.4
237.14903	4.4
237.18547	5.6
253.18112	1.6
281.13965	23.1
281.17130	1.8
282.14481	1.7
293.17612	6.3
307.15524	2.6
325.16571	25.0
326.16891	2.2
350.28384	1.3
355.17603	100.0
356.17981	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	355.1187
Annotation	Vitedoin A
Peak:m/z	Relative Intensity
50.75546	1.4
57.03425	1.9
59.01373	8.4
61.98824	4.3
69.59201	3.0
69.59607	11.8
71.01344	2.1
73.02943	2.2
85.02966	2.5
85.06583	1.9
93.04524	1.8
94.04917	2.6
97.39147	1.3
107.08827	1.7
119.05042	3.2
137.02492	1.5
137.03561	2.3
147.04550	9.4
149.02458	1.6
154.06232	22.9
155.06631	9.7
167.14442	3.3
171.24055	1.5
175.04008	75.2
176.04782	40.2
189.05574	4.1
190.06352	22.0
191.06941	1.9
193.05101	1.5
194.23648	1.5
204.04283	17.4
205.04681	2.1
207.08308	1.8
208.03737	18.2
211.17036	7.4
217.05031	12.8
218.05864	8.5
219.04558	1.2
219.06583	34.6
222.05325	27.1
223.07599	2.3
231.06714	2.3
235.07591	2.8
237.05585	2.6
249.05515	2.2
251.07088	3.3
267.06537	8.2
278.05750	1.6
279.06616	19.6
280.06937	1.7
283.09302	1.6
291.06390	8.3
292.07120	3.6
294.08972	3.9
295.06116	26.1
296.06805	14.2
297.07391	2.1
305.08051	1.9
306.09033	6.3
307.06122	26.8
307.09579	1.3
308.06445	3.4
310.08362	15.7
311.09094	15.3
321.07715	4.2
322.08499	14.8
325.10800	31.3
326.11160	4.9
327.12344	2.7
337.10788	25.2
337.14572	2.4
338.11084	3.4
355.11871	100.0
355.15366	3.5
355.24698	12.2
356.12271	14.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1034
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66536	0.2
63.02390	0.4
65.00317	0.5
70.90166	0.4
70.90537	0.4
73.03909	0.2
81.03465	0.6
81.08329	0.2
81.81495	0.2
93.03448	0.2
105.03468	1.6
105.07105	0.5
107.01409	2.6
107.05048	0.6
121.06572	0.3
123.04541	0.7
131.05048	0.3
140.13548	0.2
147.04510	0.2
149.02458	19.6
149.06090	6.8
150.02806	0.9
150.06412	0.4
151.04048	0.6
163.04060	0.5
164.04860	0.5
175.03993	0.4
186.48717	0.2
191.03522	0.8
192.04298	0.5
193.05063	100.0
194.03700	0.4
194.05403	6.1
217.05081	0.7
235.06110	2.6
337.09488	0.3
355.10336	48.3
356.10645	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	355.1187
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42341	3.4
52.05553	3.2
53.41737	3.2
59.01384	26.5
61.98820	15.8
62.59735	3.4
71.01390	9.1
71.53156	3.4
71.53512	4.6
83.01416	7.4
85.02957	4.8
99.00903	11.7
102.68426	4.0
108.85838	4.2
111.00900	7.1
112.98823	14.3
115.00449	4.2
117.03476	8.8
131.04640	9.3
134.03767	100.0
142.15230	3.3
142.99835	4.5
145.06216	7.0
149.06082	6.6
158.49156	3.6
161.13741	4.7
174.01724	87.4
174.03210	7.8
181.15965	5.0
184.35167	3.6
193.05067	96.0
193.15933	7.7
194.05379	9.3
194.21416	3.9
203.07195	9.9
207.17528	5.4
209.19127	9.2
223.17099	4.7
237.14943	7.6
237.18590	29.1
274.86237	4.2
281.17645	4.7
311.18616	53.5
312.18921	4.4
324.62750	4.2
355.17230	13.4
355.24976	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	355.1037
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10514	0.3
57.03466	0.3
58.00611	0.6
58.42847	0.3
59.01374	10.0
60.53174	0.3
61.98828	1.5
64.17650	0.3
68.55130	0.3
69.34178	2.9
70.81187	0.3
71.01379	4.5
72.99328	0.7
73.02972	0.6
83.01411	0.3
85.02951	1.8
87.00864	0.6
89.02450	3.0
95.01358	0.5
99.00918	0.6
101.02448	2.0
109.02934	0.4
113.02445	2.2
117.03492	0.4
119.03508	1.0
119.05033	1.0
120.99653	0.3
121.02994	0.4
126.25699	0.3
127.00373	0.4
129.01904	0.3
132.02180	14.2
133.02469	0.3
134.03760	10.6
147.04562	0.7
149.06100	1.7
151.04054	2.4
160.01672	64.1
161.01970	3.5
163.04002	1.2
174.03300	0.6
175.04008	100.0
176.04367	6.5
178.02676	0.9
191.05594	1.0
191.07159	1.8
192.04318	0.4
192.05905	0.9
193.05017	18.8
194.05371	0.7
199.33868	0.3
202.02696	0.9
203.07309	0.3
207.06602	1.2
209.06641	1.4
217.05055	5.7
218.05464	0.5
235.06079	3.9
247.06177	0.4
265.07089	1.1
269.23575	0.3
285.03760	0.4
295.08130	1.6
319.13864	0.7
355.06250	0.5
355.10339	7.7
355.14526	0.5
355.17819	0.3
356.10617	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1034
Annotation	Unknow
Peak:m/z	Relative Intensity
59.03197	0.2
62.39210	0.2
63.02400	0.3
65.00324	0.7
68.13857	0.2
69.96552	0.9
75.68069	0.2
78.79411	0.2
81.03474	0.6
105.03490	1.7
105.07114	1.2
107.01405	3.0
107.05061	1.0
112.47334	0.2
120.02184	0.2
123.04533	0.9
149.02460	27.6
149.06096	8.5
150.02760	1.4
150.06441	0.6
151.04021	0.7
157.74998	0.2
163.04031	0.9
164.04826	0.8
165.05635	0.2
175.04010	0.5
191.03497	0.9
192.04297	0.8
193.05066	100.0
194.05405	5.5
194.07181	0.3
207.06654	0.2
217.05084	0.6
235.06136	2.1
316.19736	0.2
318.57230	0.2
355.10336	45.4
356.10654	3.4
369.05716	0.2
379.94064	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1035
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12536	0.1
59.01380	0.6
59.59583	0.1
61.98832	1.1
65.00335	0.2
65.03963	0.3
67.01883	0.2
70.72646	0.1
71.01389	0.2
71.71368	0.1
73.02948	0.1
79.05544	0.3
81.03516	0.1
83.01392	0.1
83.05038	0.1
93.03490	0.2
101.02493	0.1
103.05522	0.1
105.03491	0.2
105.07114	3.1
105.40028	0.1
106.06651	0.6
106.07394	0.1
107.01402	0.3
107.05035	2.4
108.05363	0.1
113.02490	0.1
114.05653	0.1
121.02966	0.1
121.06612	0.2
123.04557	0.1
125.14538	0.1
127.00352	0.1
130.04259	0.2
131.05049	1.4
133.06602	0.2
147.04543	0.5
149.02461	1.5
149.06102	10.1
150.02768	0.1
150.05417	0.5
150.06483	0.4
151.04054	0.2
160.01657	0.4
164.04575	0.1
175.04022	2.1
176.04495	0.1
177.05550	0.5
191.05498	0.1
192.04285	0.1
193.05066	100.0
194.05396	5.9
215.07141	0.1
235.06137	0.3
254.33409	0.1
259.06064	0.1
259.22217	0.1
355.10260	1.1
356.10376	0.2
356.18085	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	354.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	14.3
61.98830	100.0
66.15762	1.9
71.01382	7.5
71.24286	3.5
71.24619	2.2
73.02965	2.5
77.01596	2.0
83.01385	3.4
99.00887	3.3
101.02452	2.0
113.02445	2.8
114.53500	2.0
161.04555	5.7
285.29276	2.6
285.63464	2.0
288.74979	2.2
354.19141	2.8
355.21045	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	354.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82627	4.1
53.39593	3.8
59.01382	60.8
61.98831	100.0
64.35075	4.4
70.12141	22.9
71.01393	11.6
73.02973	5.9
78.71459	4.5
83.01406	4.4
85.02953	5.4
99.00917	5.3
101.02418	5.0
105.60114	4.1
109.21007	4.3
116.07201	6.4
119.00815	4.0
127.00394	8.0
161.04564	13.8
162.09627	4.4
174.01749	21.6
183.01215	11.3
184.01614	5.9
191.05592	7.9
192.06004	6.7
237.96138	4.5
354.18164	12.1
355.17728	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	355.0821
Annotation	derrusnin
Peak:m/z	Relative Intensity
59.01366	3.9
61.98831	13.6
62.96267	1.1
71.01373	3.0
72.10761	1.2
80.91673	3.1
85.02956	1.4
89.03962	1.4
93.03441	1.7
99.00908	6.9
102.05616	8.2
105.03481	2.2
108.02161	3.1
109.02950	4.9
112.98828	2.5
117.03465	4.7
119.05034	1.9
121.02983	10.9
122.03797	6.1
123.04520	1.8
124.01737	1.4
128.03574	6.2
132.02184	6.2
133.02989	25.4
134.03764	35.8
135.04095	1.3
136.01703	1.7
137.02472	3.5
138.58575	1.6
139.04083	1.9
145.02945	3.7
145.06209	4.0
146.03645	1.5
146.04634	15.0
147.04544	3.6
149.02478	10.8
149.06146	3.4
150.03259	11.2
159.04517	3.0
160.01707	2.5
161.01146	2.4
161.02466	42.5
162.02908	2.3
163.04034	3.1
171.04578	1.6
174.01755	12.9
174.03163	2.5
175.03979	9.0
177.01942	3.3
178.02724	58.1
179.03038	3.6
184.94728	1.1
187.04028	4.2
190.02643	1.7
191.03487	1.9
193.05074	100.0
194.05399	5.4
204.01627	1.5
208.08167	1.4
209.06084	1.3
211.04105	1.3
215.03584	1.8
216.97075	1.5
218.02179	4.1
219.03070	2.2
225.05467	2.4
226.06198	1.4
227.03458	2.7
229.79285	1.2
237.05644	1.8
238.06342	2.2
239.07231	1.7
240.04131	2.2
249.05643	1.4
250.06262	1.4
252.04250	1.5
253.05078	7.3
254.05728	3.3
255.06378	1.3
255.08928	1.2
260.12723	1.4
265.04825	2.4
266.05847	1.5
267.06549	5.1
267.15967	1.4
268.07181	3.1
277.05099	1.9
279.06552	2.4
281.04428	3.9
281.07944	2.6
282.05353	7.6
293.04581	1.4
294.05545	1.8
295.06021	2.8
296.06827	4.6
297.07547	2.7
310.04678	2.4
311.09250	4.1
311.18732	1.4
314.85596	1.3
322.04800	4.3
325.07141	11.3
326.07352	1.3
337.07083	4.8
354.96011	3.3
355.08200	50.1
355.16003	4.8
355.24942	3.4
356.08768	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	353.0515
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	3.5
55.90940	0.8
57.03447	9.2
59.01379	2.7
63.61239	0.9
63.88582	0.7
71.01375	4.3
71.09968	0.8
71.47746	1.8
73.02949	65.6
74.03291	1.0
75.00914	0.9
83.01392	37.8
83.01892	1.8
85.02935	1.9
87.00900	2.6
88.44624	0.8
93.03465	1.0
99.00889	40.4
100.01250	0.8
101.02458	2.0
117.01966	2.0
119.05024	1.7
119.21880	0.7
127.00390	100.0
128.00716	1.7
142.99887	7.0
145.01445	1.8
154.78625	0.9
163.04079	1.0
170.99348	2.3
189.00414	87.3
190.00786	1.7
190.44249	0.8
191.05627	34.9
213.40668	0.9
247.74214	0.8
284.98047	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0515
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.9
55.70244	0.2
57.03450	2.1
59.01376	1.4
67.01876	0.4
69.80840	1.3
69.81238	0.3
71.01382	1.5
72.99323	0.3
73.02953	13.3
74.03285	0.2
75.00880	0.3
81.03453	0.3
83.01393	8.6
83.05052	0.3
84.01706	0.2
85.02460	0.4
85.02960	7.3
86.03325	0.2
87.00889	1.8
87.65152	0.2
93.03472	2.2
96.63566	0.2
99.00891	8.9
99.04523	0.4
101.02475	0.7
109.02965	0.3
111.00883	2.4
111.04540	0.7
118.03807	0.2
119.05106	0.2
127.00393	20.7
127.04004	1.9
128.00731	0.7
133.02983	0.4
135.04536	1.1
137.02501	0.3
142.99889	1.1
145.01414	0.3
154.99911	0.6
161.02455	1.9
170.99403	0.5
171.03049	0.6
173.00948	0.7
173.04541	1.0
179.03595	1.0
187.52396	0.2
189.00426	20.1
190.00790	0.8
191.05627	100.0
192.05968	3.5
207.01442	0.5
245.38046	0.2
266.68219	0.2
353.08627	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	353.1971
Annotation	Hexamidine
Peak:m/z	Relative Intensity
50.87714	2.1
59.01385	12.7
68.99813	5.3
71.01388	23.7
71.58446	3.2
72.99315	4.7
73.02942	2.9
79.95007	2.2
83.01387	3.8
85.02989	3.5
92.06015	2.1
96.96017	2.6
96.99319	5.7
99.00881	13.2
108.02204	4.8
111.00896	3.3
124.98829	48.4
127.00404	8.3
140.07747	2.3
142.99879	97.9
161.04587	5.8
189.00432	8.8
191.05591	15.8
209.19138	3.0
223.20592	4.9
233.19028	5.1
235.20723	2.7
237.18605	3.4
237.22356	3.6
239.20190	6.3
243.70644	2.4
251.20134	62.2
252.20528	7.7
253.21687	44.9
254.22055	5.2
263.20093	8.2
265.21732	4.1
281.21179	8.7
288.31885	2.4
297.20877	2.6
298.36462	2.5
309.17194	3.2
309.20709	6.8
353.19714	100.0
354.20001	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	354.1226
Annotation	Unknow
Peak:m/z	Relative Intensity
54.97414	0.9
59.01379	100.0
61.98825	3.3
68.02536	3.4
71.01369	2.4
71.61612	1.1
73.02990	1.4
84.24843	0.9
99.00896	1.4
101.02455	1.8
111.00942	1.0
113.03617	1.8
127.00363	1.6
128.00757	1.1
131.04652	3.0
161.04562	4.6
174.01747	5.2
213.72719	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0515
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72789	0.8
55.01869	2.9
57.03448	11.0
59.01366	3.2
71.01383	4.9
71.14104	1.1
71.14440	1.3
73.02950	69.6
74.03276	1.3
75.00905	1.3
83.01392	44.7
85.02956	3.2
87.00877	2.9
88.97534	0.8
99.00891	44.4
101.02447	2.8
111.00913	0.9
117.01945	1.6
119.04961	0.9
127.00390	100.0
128.00714	3.0
130.22668	0.8
142.99892	5.2
145.01448	1.8
161.02483	1.4
170.99335	2.3
176.02750	0.9
189.00418	95.5
190.00739	3.4
191.05617	38.6
207.01495	2.7
377.57297	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.1037
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83165	0.6
55.01899	1.1
55.84019	0.5
57.03438	3.1
58.00628	0.7
59.01376	43.7
60.01731	1.1
61.98824	6.8
67.44672	0.5
68.88344	0.6
69.03479	0.9
71.01382	14.8
71.70983	1.2
72.99358	2.5
73.02947	23.1
74.99138	2.2
75.00891	0.8
77.04008	0.8
78.95906	14.1
79.01937	0.9
81.03482	1.0
83.01388	11.7
85.02954	14.5
87.00880	4.8
88.98819	0.9
89.02450	3.2
92.05088	1.7
93.03477	3.8
96.97009	2.0
99.00883	8.6
101.02460	10.5
102.02835	0.9
109.02995	1.5
111.00884	21.2
111.04547	1.4
113.02457	3.8
116.05096	1.1
117.01994	1.8
118.03015	1.1
119.05086	1.7
120.04608	2.0
127.00384	18.3
127.04031	1.6
129.01999	2.5
131.03719	1.9
132.04605	4.6
133.03008	2.3
134.03351	0.7
135.04524	4.1
136.99200	2.7
142.99907	1.1
144.04587	3.9
145.05040	0.7
146.02496	24.1
146.06166	0.8
146.19975	0.6
147.03302	17.4
147.04466	0.9
148.04066	4.8
150.05637	0.8
154.99869	3.6
158.06126	1.3
160.04053	23.1
161.02515	2.8
161.04517	2.6
161.05920	2.8
162.05444	0.7
163.04022	1.1
170.06114	0.6
172.04047	4.9
173.00917	9.2
173.04573	2.5
174.05624	2.8
177.01961	1.1
179.02136	3.0
179.03540	2.0
185.04823	0.7
186.05634	2.2
189.00424	18.5
190.02791	0.8
191.02037	12.9
191.05617	100.0
202.05034	4.7
203.03575	2.7
203.05208	0.7
205.05061	24.6
214.05089	6.6
215.03609	0.9
217.05090	2.8
219.06744	0.6
232.06050	0.7
233.04529	37.7
236.03177	0.7
245.04512	3.8
249.82118	0.6
263.05573	7.9
265.14676	1.5
292.08078	1.2
293.16028	1.9
308.13129	0.6
310.09131	2.5
352.10165	25.6
352.17041	2.0
353.08670	24.5
353.16162	4.4
357.09915	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2177
Annotation	Neorustmicin D
Peak:m/z	Relative Intensity
57.03444	6.6
59.01378	18.2
61.98835	2.5
69.03448	5.7
70.70986	2.2
70.71333	1.6
71.01365	1.9
73.02953	1.6
78.95902	1.5
83.05042	2.4
83.93400	0.9
85.02962	1.8
87.04514	1.4
93.03451	1.7
95.05036	3.8
96.96050	1.2
97.02982	1.3
97.06576	1.9
99.04530	13.9
105.03526	1.0
107.04980	1.5
109.58889	1.2
111.04531	1.4
111.08163	3.6
113.06105	2.2
116.98257	1.1
123.08159	6.0
129.82666	1.3
133.02946	3.9
135.04532	3.9
139.07677	4.0
149.09743	2.4
154.06271	1.4
155.07164	4.8
173.04568	2.3
175.14882	2.3
177.01924	1.3
179.03516	2.2
191.05576	2.5
193.16145	1.2
201.16504	2.5
206.98183	1.0
211.13461	1.4
215.05643	1.7
219.14030	1.3
219.17586	2.0
237.15041	2.9
263.16461	2.8
315.21860	2.2
333.20584	2.4
351.07224	2.3
351.21774	100.0
352.18219	1.2
352.22134	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	351.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28573	0.7
54.31263	0.8
55.01858	0.8
57.03440	2.6
58.00590	1.2
58.28475	0.7
59.01380	19.8
61.98818	2.9
67.01887	3.1
68.99793	0.9
69.03457	1.4
71.01385	15.8
71.02522	2.3
72.99313	4.6
73.02950	3.2
75.00478	1.2
75.00880	16.3
81.03472	1.2
83.01395	2.7
85.02961	20.6
87.00886	9.3
89.02444	2.9
93.03477	15.7
94.67878	0.7
95.01382	4.8
95.05036	1.0
99.00885	10.5
101.02451	2.7
101.06095	100.0
102.06416	2.6
103.00409	1.8
105.03481	4.2
107.05069	1.0
108.04537	2.2
109.02935	5.4
111.00888	5.7
111.04539	2.9
113.02459	18.0
114.02799	1.0
115.00381	2.3
117.01949	2.5
120.99667	1.1
122.06125	1.9
123.04488	1.7
127.00392	2.7
127.03996	1.2
129.01965	2.5
133.02979	23.5
135.04562	11.0
136.04018	1.3
136.04956	0.9
138.05626	2.2
150.03206	1.3
157.01483	1.2
157.63199	0.8
161.02463	2.0
161.04674	1.0
166.05159	2.1
167.05882	1.2
168.06689	0.9
173.04582	11.1
175.02455	1.5
177.01935	8.5
178.02264	0.9
179.03525	8.3
189.00543	1.3
191.05627	40.4
202.12292	1.0
204.06830	0.9
205.07179	0.9
206.55267	0.8
212.05641	1.5
215.05615	8.6
231.05042	2.5
249.06154	14.2
249.10023	0.9
250.06531	1.3
257.70190	0.8
263.13379	0.7
264.12561	1.0
267.06873	2.4
289.12012	1.3
291.10660	0.9
307.08893	1.2
307.12933	6.7
333.11725	2.9
339.05118	5.5
351.07471	4.1
351.12921	79.9
352.08066	1.0
352.13239	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	351.1559
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30230	0.6
59.01379	12.7
61.73713	0.6
61.98830	100.0
67.24969	0.6
71.66457	1.1
96.96021	0.8
111.38425	0.6
115.92025	0.6
124.76231	0.6
145.02983	1.5
156.14001	2.4
168.13997	1.2
187.76015	0.6
231.10365	1.5
265.67743	0.6
315.16116	1.7
351.18329	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.187
Annotation	6,7-Dihydroxydihydrolinalool 7-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
55.01867	0.9
57.03442	0.8
58.00592	1.3
59.01379	29.1
60.01716	0.7
61.98827	1.3
62.37965	0.3
65.03323	0.2
70.27519	0.7
70.39597	0.2
71.01384	18.6
72.22736	0.2
72.99306	2.9
73.02945	1.0
75.00899	0.5
76.56622	0.2
81.28522	0.3
83.01381	1.4
84.02164	0.4
84.05067	0.3
85.02954	3.8
87.00871	1.5
88.70613	0.2
89.02450	12.4
95.01388	1.3
99.00922	0.3
101.02454	12.1
113.02460	7.4
114.02841	0.3
114.70155	0.2
117.03477	0.7
119.03520	5.5
119.04977	1.7
129.55267	0.3
139.11290	0.8
141.12874	26.4
142.13245	1.3
143.03522	0.6
145.02992	2.7
155.14433	0.8
161.04660	0.5
163.04010	2.8
163.25427	0.3
163.52725	0.3
169.12349	4.9
169.13722	0.5
170.12766	0.4
171.13942	1.3
172.14349	0.3
179.05630	0.5
183.13942	2.6
185.11781	0.3
187.13403	50.6
188.13763	3.7
205.04971	0.4
229.14420	1.4
278.71762	0.3
313.20172	1.1
313.23547	0.3
344.10370	0.3
349.18674	100.0
350.19037	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	349.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55350	1.9
59.01379	100.0
61.98832	9.6
71.01390	7.3
71.61267	2.1
71.61624	3.1
77.11723	2.0
101.02450	2.2
105.03481	3.3
115.00352	2.8
133.01483	6.8
135.06711	3.2
152.21449	1.9
195.69002	1.9
198.42302	2.4
212.62328	2.0
300.82346	2.1
336.18060	2.2
349.16486	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68148	1.1
54.24915	1.2
55.17045	1.1
57.03431	1.2
59.01380	100.0
60.01715	1.1
61.98832	4.7
69.47290	11.3
71.01389	1.2
71.52983	1.1
78.49200	1.2
96.96021	1.2
107.05059	1.2
109.25035	1.1
117.83977	1.3
123.08196	1.6
154.06267	2.6
209.15826	1.3
227.16583	2.0
231.13805	1.6
250.15775	1.4
261.15173	2.2
271.17032	5.2
349.07004	1.5
349.10751	3.5
349.16757	5.5
349.20309	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	350.1457
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	39.0
61.98830	96.0
65.06284	0.8
69.33269	1.0
70.81609	1.3
70.81992	1.6
78.21690	0.8
96.54745	1.1
98.95628	2.1
99.04549	1.1
123.77940	1.0
138.81934	0.9
147.59991	0.9
147.64763	0.8
154.02417	0.9
207.13959	1.3
209.11807	4.5
217.34013	1.2
225.15086	2.6
227.12894	22.4
228.13205	1.5
251.12691	1.1
269.13919	3.9
287.15002	100.0
288.15359	8.1
321.95526	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	20.9
61.98832	100.0
64.44559	2.0
71.69422	2.8
106.77011	2.3
114.68716	2.6
116.46996	2.1
126.93783	2.3
133.02988	4.0
135.00496	2.4
135.04498	2.3
255.95270	2.0
297.73846	2.2
299.46323	2.6
350.23819	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	348.9861
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	100.0
62.98539	0.3
63.99269	0.8
65.29169	0.3
71.10349	0.6
71.10683	0.4
87.04951	0.3
97.82948	0.4
100.23103	0.3
113.40901	0.3
130.90009	0.3
162.98511	1.4
164.96446	0.3
203.99989	1.3
205.00133	3.5
205.99763	4.0
206.97452	73.2
207.97563	5.4
217.57123	0.3
259.25870	0.3
285.44089	0.3
348.98199	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.0599
Annotation	CHEBI:75389
Peak:m/z	Relative Intensity
50.03379	0.3
59.01114	0.3
59.01371	1.8
60.25163	0.3
69.73716	1.3
69.74145	0.9
71.01382	1.2
73.02940	0.5
79.95737	1.8
80.96519	0.6
83.01388	0.5
85.02948	0.7
87.00870	0.4
87.24100	0.3
95.95257	0.3
96.96020	79.9
97.95966	0.5
99.00912	0.3
101.02451	1.2
113.02511	0.4
125.09731	1.7
138.97119	0.2
150.97136	0.3
180.98157	0.6
187.09766	2.4
241.00229	1.7
297.66006	0.3
349.05978	100.0
350.06323	8.3
350.16153	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.0697
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33413	0.6
59.01375	3.7
60.93318	0.5
61.81626	0.5
61.98834	3.6
69.86357	3.7
71.01391	1.8
78.95907	8.2
80.91728	0.5
93.03497	1.0
96.96024	1.0
96.96970	13.4
103.92046	0.7
107.05033	4.4
113.09451	0.6
121.03015	0.6
121.69249	0.6
123.04554	2.7
127.04014	0.8
133.03001	1.0
134.04723	1.0
142.99927	1.2
144.04570	100.0
151.04025	51.4
152.04378	2.5
255.30302	0.6
306.09778	1.2
349.07037	1.7
349.10928	0.8
350.14426	0.8
372.84528	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1041
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	6.7
61.98821	3.2
65.99833	2.3
70.19118	1.3
70.19456	3.5
71.01373	2.2
73.02956	1.1
82.02991	12.7
83.01380	0.9
88.04048	0.7
96.04594	0.8
101.02448	0.8
106.02986	4.7
111.04458	0.8
113.02443	1.1
121.02998	1.4
122.02460	0.9
122.03725	1.0
122.06131	2.8
130.08749	1.5
136.04056	2.9
138.05597	8.4
146.09749	0.8
148.07681	2.2
149.03662	1.6
149.04852	3.2
150.05615	1.1
161.04756	1.4
162.05717	1.0
163.05116	3.0
164.03545	26.4
165.03862	1.1
174.05553	2.4
176.07120	1.4
176.10791	3.2
182.04568	1.1
188.07144	2.3
190.08745	25.8
191.04634	23.7
191.08302	3.5
192.05035	1.4
194.30876	0.9
202.08652	6.4
204.05429	1.7
205.06233	1.5
216.10193	0.9
217.06126	10.2
218.06946	1.0
218.11862	32.5
219.07739	1.7
219.11765	3.0
229.06088	1.1
229.11975	1.1
231.07698	5.5
233.09303	73.1
234.09633	4.5
244.04878	11.8
244.09767	8.3
245.05240	1.1
245.09311	12.6
257.05746	1.1
258.06451	2.8
259.07196	25.9
259.09970	1.5
260.07559	2.0
261.09845	1.7
261.12430	15.6
262.12918	1.5
263.10403	1.7
269.53012	0.8
271.07184	22.0
272.07782	1.9
277.08264	5.6
277.12079	1.0
287.10364	43.2
288.10611	3.4
305.11450	11.3
306.11661	0.9
331.09344	46.6
332.09689	4.3
349.10397	100.0
350.10660	10.1
357.61020	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25875	0.3
54.70789	0.3
59.01377	100.0
60.01721	1.3
61.87568	0.3
70.70271	0.6
70.70645	0.8
71.01375	0.6
72.78977	0.4
86.09679	0.3
86.25531	0.4
93.30275	0.3
94.90447	0.4
96.96012	4.4
107.41374	0.4
112.33216	0.4
129.26273	0.3
166.62390	0.4
223.89491	0.4
344.38715	0.4
349.05942	4.3
349.13504	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.187
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.9
57.03463	0.8
59.01379	100.0
60.01710	0.8
61.98835	1.4
63.24797	0.5
71.01386	18.4
71.69489	0.4
71.69895	0.5
72.99315	0.8
73.02947	5.5
73.36448	0.4
83.01390	2.6
85.02962	9.0
87.00887	0.6
89.02448	3.4
95.01419	1.2
96.96024	5.6
97.02991	0.8
98.95619	9.3
98.96454	1.8
99.00896	3.0
101.02452	12.7
108.04559	0.4
113.02466	6.9
119.03543	0.9
120.99696	2.4
122.06171	0.5
125.02428	0.7
131.54311	0.4
135.04610	0.5
138.05582	0.4
143.03555	0.6
145.12378	2.6
159.03053	1.3
161.04578	10.0
162.04944	0.5
185.11861	0.7
200.14507	0.6
201.09636	0.5
205.03551	0.5
214.34186	0.4
219.10663	0.9
223.17198	0.4
252.06081	0.4
267.99942	0.4
269.13043	0.7
287.15167	0.7
289.16653	1.7
305.11340	3.4
307.17630	20.7
308.18030	2.6
309.54901	0.4
349.09030	1.1
349.13202	1.2
349.19095	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	347.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	0.7
57.03451	1.5
59.01381	100.0
60.01712	1.4
61.98836	2.4
62.64771	0.4
64.04412	0.3
70.26231	1.1
70.26645	0.6
71.01385	9.8
71.05042	0.7
73.02946	2.6
75.00854	0.4
83.01415	1.1
85.02970	3.8
87.00899	0.8
89.02475	2.1
90.31894	0.4
95.01421	0.9
96.96044	0.7
97.02993	0.6
99.00903	1.9
101.02452	5.0
113.02472	3.5
119.03527	0.7
120.99677	4.2
125.63282	0.4
135.04495	0.4
141.09256	0.8
143.03526	0.5
143.10837	1.7
159.03125	0.5
161.04572	3.4
185.08279	1.4
185.11880	0.3
191.05794	0.5
193.05206	0.6
213.10687	0.4
239.12132	0.4
259.10257	0.6
285.11755	0.5
287.15033	0.6
305.16034	4.6
324.23203	0.4
347.08066	0.6
347.12540	6.5
347.17313	1.5
348.13168	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1711
Annotation	Kankanoside E
Peak:m/z	Relative Intensity
54.53970	0.4
55.01867	1.1
57.03439	1.9
58.00589	2.1
59.01377	52.2
60.01700	0.7
61.98818	2.3
62.99021	0.5
71.01384	32.5
71.05296	1.3
72.01738	0.6
72.99320	3.0
73.02953	3.4
73.68436	0.4
80.17753	0.5
83.01395	3.4
85.02953	10.0
85.03458	0.7
87.00880	1.5
89.02450	25.8
95.01401	2.3
96.96020	14.0
99.00868	1.5
101.02456	21.1
102.02799	0.8
113.01717	1.0
113.02457	12.8
113.03611	0.7
119.03506	10.7
120.99677	7.6
121.10271	1.1
125.02465	0.5
126.90532	1.0
131.03523	1.0
143.03484	1.4
161.04626	1.2
167.10780	9.1
168.11200	0.6
179.05624	1.3
185.11833	3.2
189.36826	0.5
229.14449	6.4
329.10449	0.5
329.15805	0.9
347.17102	100.0
348.17407	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	347.1995
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	46.6
61.98838	21.9
70.24162	19.1
70.24574	31.7
98.15860	8.7
132.33543	9.9
155.10730	11.8
196.78809	9.5
211.13371	40.8
220.03931	9.2
265.18118	47.6
287.16257	21.8
293.21161	100.0
294.21671	15.9
297.71909	10.2
309.20831	15.6
311.22314	75.2
312.22568	12.8
347.18741	58.6
348.18591	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	347.1252
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	1.3
57.79344	0.8
59.01379	7.1
61.98835	4.3
66.95959	0.8
68.99809	1.1
70.25140	4.2
71.01387	2.6
73.02939	1.2
74.99101	1.6
80.05062	1.4
81.03460	1.4
84.04560	3.5
85.02953	1.1
86.02473	1.7
89.02436	1.2
94.02997	1.0
94.06641	1.1
95.05043	5.2
96.04565	1.4
96.96027	7.1
97.01730	1.0
98.48997	0.8
100.82624	1.0
101.02509	1.0
107.03775	2.6
108.04575	2.1
109.02943	1.0
110.06133	70.3
111.06493	3.0
116.05077	17.4
117.05406	1.0
118.06667	9.7
120.99675	24.0
121.05337	1.0
122.06138	88.5
123.03288	1.3
123.04563	1.0
123.06492	4.0
123.08181	1.2
124.04076	1.5
128.03535	1.8
132.04550	1.0
134.03731	5.5
134.06139	1.9
136.07733	2.1
139.04033	1.1
141.09235	5.6
144.04573	55.0
145.04987	3.3
146.06152	3.1
147.03302	2.6
148.04073	1.1
149.06082	1.7
160.04074	1.0
162.05629	65.1
163.06322	6.4
164.07167	1.7
166.05077	1.7
167.03665	0.9
167.07135	1.2
177.04317	1.7
178.02750	4.0
185.08321	4.1
188.03537	16.7
189.03871	1.2
193.05057	8.9
194.04527	1.1
195.05414	4.8
203.11856	1.5
207.06618	4.6
215.11595	1.7
231.11496	1.1
238.04782	1.1
245.12952	0.8
255.11388	18.9
256.11771	1.0
259.10126	4.6
259.14542	2.6
267.08688	9.0
267.11340	48.3
268.11758	4.5
273.12469	12.4
274.12781	1.6
285.12442	100.0
286.12808	11.1
303.13498	26.1
304.13849	3.0
347.04498	2.3
347.12372	11.1
347.17078	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10616	0.3
57.03440	0.4
59.01379	100.0
60.01712	1.1
61.98847	0.3
64.30285	0.3
69.66164	2.6
71.01387	6.7
73.02957	4.0
75.86102	0.3
83.01415	1.0
85.02948	1.5
89.02460	4.0
91.96300	0.3
101.02454	4.9
113.02467	2.9
118.34325	0.3
119.03536	0.9
120.01288	0.8
122.06143	0.8
124.04056	2.4
131.03572	0.3
136.07726	1.4
143.03487	0.4
144.45425	0.3
148.07724	0.5
161.04610	0.9
179.05786	0.5
209.11766	0.4
230.71312	0.3
244.12085	0.4
252.77483	0.3
259.14514	3.1
261.12567	0.4
277.39841	0.3
289.11957	1.8
317.11572	1.2
347.12537	4.6
347.16779	0.7
348.12918	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.0984
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
60.01719	1.5
61.98829	1.0
62.23956	0.6
66.91673	0.6
69.89658	3.0
71.01379	7.0
73.02951	2.2
83.01407	0.6
85.02949	3.2
95.01408	0.8
97.02994	1.6
98.20569	0.9
99.00867	0.7
101.02444	4.6
110.06133	0.7
113.02477	2.9
119.05091	0.6
122.06184	0.9
125.02459	5.9
126.77893	0.6
130.89011	0.6
137.45041	0.5
159.02969	1.0
161.04572	13.0
172.49655	0.6
285.12643	1.0
310.70816	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.117
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99590	0.3
59.01382	1.7
61.98836	0.5
69.56345	1.8
71.01385	0.7
72.23186	0.3
74.99110	2.2
78.65765	0.3
79.93970	0.4
80.41094	0.2
86.57642	0.3
96.96029	0.4
98.19943	0.6
101.02448	0.5
102.98606	0.4
110.06146	0.9
113.02441	0.3
120.99673	100.0
122.00038	2.1
122.06166	0.9
123.08157	0.7
128.03561	0.5
130.08789	1.4
134.03755	5.5
135.04137	0.5
136.07703	0.5
136.99113	0.4
137.02489	1.2
139.03987	0.4
141.09247	3.6
144.04529	0.5
148.04308	0.4
149.06071	2.0
161.04678	0.3
162.05736	0.6
167.07182	0.4
178.02733	5.1
179.03094	0.3
185.08235	2.4
186.47893	0.3
193.05070	14.3
194.05434	0.8
203.90997	0.3
215.11211	0.6
217.13350	0.3
225.11169	0.3
231.15633	0.3
239.55269	0.3
244.12141	0.4
255.13655	0.3
259.10104	7.2
259.14279	2.1
260.10379	0.7
285.12476	1.2
303.13464	0.8
347.04572	1.1
347.11703	4.3
347.17395	0.6
348.16098	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1171
Annotation	Compound VII
Peak:m/z	Relative Intensity
54.34011	0.4
56.98875	0.4
57.03440	1.1
59.01363	1.0
59.58558	0.3
65.30070	0.3
69.54003	3.2
71.01372	0.4
79.95759	2.0
83.05028	1.8
85.06612	0.4
95.05048	4.0
96.96024	69.4
97.06611	0.8
98.03752	1.5
109.06586	2.2
111.04517	1.4
113.06094	2.7
122.97585	0.6
124.05373	0.6
127.07732	0.5
135.08185	0.7
135.11841	0.4
137.09779	2.4
139.07658	4.0
145.10188	0.6
147.41306	0.4
149.09694	0.6
153.09216	2.5
155.10800	26.2
156.11142	0.9
187.14986	0.8
192.11058	0.4
199.09721	1.0
203.14395	0.9
205.16003	13.4
206.16292	1.5
223.17000	2.3
267.16010	14.0
268.16330	1.2
303.12851	0.8
329.10654	1.1
347.11703	100.0
348.11990	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	346.1621
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	2.0
59.15566	0.7
59.70310	0.6
61.98829	1.7
69.03443	0.7
70.02969	0.8
70.13046	1.8
70.13451	2.2
73.04071	2.6
78.95898	4.2
82.02997	3.1
83.02520	13.2
83.06155	1.0
84.00920	8.2
89.70562	0.8
96.00926	8.6
96.96962	1.3
97.04108	0.9
98.02486	12.1
105.57307	0.7
108.08207	0.8
110.02491	26.4
112.04059	3.7
113.03590	7.4
114.02006	1.0
119.05013	0.8
122.06096	0.7
127.05135	6.3
130.08757	60.0
131.09084	2.4
134.04799	1.2
138.09271	18.6
139.08769	1.9
141.10336	1.4
143.11943	5.2
154.01498	0.9
154.03853	0.7
156.06689	0.9
165.45386	0.8
166.08739	1.6
169.09839	10.7
171.04124	4.8
177.10379	1.0
179.11909	3.0
180.05408	3.6
182.37282	0.9
183.52672	0.7
185.02255	1.8
187.10899	6.8
195.11432	2.3
205.09924	4.4
211.00058	2.5
223.10880	12.6
231.13474	2.0
259.10104	2.2
261.74524	0.8
267.09845	100.0
268.10178	7.0
284.12515	53.5
285.13010	4.2
293.11459	2.4
302.13504	1.7
310.14093	1.2
311.12469	11.3
328.15161	25.0
329.15402	2.2
346.05716	1.7
346.16324	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	347.0257
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	20.5
59.01376	11.9
61.98829	7.7
70.93736	3.4
70.94073	5.0
71.01388	69.7
72.99316	3.0
73.02952	10.0
78.95920	12.7
83.01393	16.8
85.02972	16.4
87.00891	6.6
99.00898	49.5
104.03558	7.6
105.95789	2.4
111.00900	34.7
112.98830	100.0
115.00423	6.2
124.98813	11.2
129.01964	37.8
130.08685	3.6
142.99878	98.6
143.94385	2.9
144.00226	3.3
144.63007	3.0
145.01463	9.9
154.99887	6.2
157.39244	3.0
172.83311	2.8
173.00932	88.8
175.02539	3.0
179.88731	2.7
211.00348	3.4
287.58810	3.6
347.06195	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.0808
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	2.5
61.98829	1.5
69.37479	0.9
69.37905	0.7
71.01389	0.9
73.02944	0.2
74.99091	0.2
79.95738	1.1
85.02985	0.3
89.02450	0.2
96.96023	100.0
97.95917	0.4
99.00912	0.2
101.02437	0.3
118.45146	0.2
120.99700	0.6
154.73923	0.2
210.31389	0.2
223.13445	0.6
267.12354	0.7
329.23111	0.3
347.08057	11.0
347.24347	3.1
348.08319	0.8
350.82617	0.2
368.78299	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.192
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.6
59.01368	2.7
60.99311	6.8
65.99921	0.7
67.01892	14.4
67.11243	0.7
69.03454	4.4
69.03771	0.6
70.30785	2.9
70.89600	0.6
71.01404	4.5
81.03462	2.3
83.05025	2.6
85.02962	2.9
87.00884	24.4
93.03468	100.0
94.03787	4.6
97.02982	0.9
99.00891	1.8
99.04522	3.0
109.02919	1.3
111.04536	16.2
113.02455	2.5
115.04053	1.1
118.71788	0.9
127.04057	0.9
127.50783	0.6
129.01962	3.6
129.83586	0.7
141.72771	0.7
143.03560	1.0
155.03525	3.3
160.11632	0.7
166.13503	0.7
171.10338	1.0
171.13928	20.8
172.14221	1.3
173.04565	48.8
174.04915	2.9
178.18752	0.7
181.23962	0.7
183.13887	0.8
191.05635	15.9
192.06013	0.8
203.27606	0.8
211.13330	1.2
263.16516	1.2
291.19620	5.1
292.20151	0.8
309.20721	6.1
310.20895	0.9
345.19196	96.2
346.15793	1.2
346.19553	10.0
359.65961	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.0118
Annotation	Unknow
Peak:m/z	Relative Intensity
54.88701	0.2
59.01380	5.5
60.01703	0.5
61.98831	100.0
70.02900	0.7
84.76721	0.2
138.40479	0.2
159.03377	0.2
160.33459	0.2
201.02618	0.8
202.02719	2.4
203.02330	3.0
204.00006	44.7
205.00137	3.9
260.50693	0.2
346.00919	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.0558
Annotation	Adenosine 3'-monophosphate
Peak:m/z	Relative Intensity
51.43917	0.2
57.32663	0.2
59.01368	0.7
61.82625	0.2
61.98823	1.5
62.96407	0.9
70.05731	0.5
70.06152	0.9
71.01391	0.3
71.66079	0.2
78.95909	55.8
79.37765	0.3
92.02508	0.4
96.96972	13.0
107.03661	2.2
110.02495	0.6
112.98798	0.5
120.96131	0.3
120.96991	6.1
130.08737	1.1
134.04745	35.9
135.05101	1.0
138.98073	0.4
150.98015	0.5
173.00902	0.3
192.99059	0.4
211.00140	100.0
212.00467	3.4
258.50046	0.3
267.09848	1.1
284.12619	0.5
325.11871	0.3
328.15289	0.3
346.05579	14.1
346.16251	0.3
347.05841	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	345.1556
Annotation	(2E,6Z)-8-beta-D-glucopyranosyloxy-2,6-dimethyl-2,6-octadienoic acid
Peak:m/z	Relative Intensity
55.01868	1.8
57.03445	2.7
57.07846	0.8
58.00596	4.1
58.13900	0.7
59.01379	100.0
60.01709	1.7
68.99837	1.1
70.10248	0.8
71.01384	56.9
72.01723	1.2
72.04551	0.8
72.99316	5.2
73.02954	3.4
74.02477	24.2
74.02859	1.5
75.02814	3.6
78.78136	0.8
79.52327	0.8
83.01406	3.4
85.02963	12.3
87.00909	2.5
89.02451	46.6
90.02795	0.9
95.01407	4.6
95.03779	2.1
96.04615	1.1
96.08236	1.0
98.19924	3.2
99.00889	2.1
101.02453	39.2
104.04963	1.0
106.06625	4.5
113.02460	21.1
116.03553	8.5
117.03928	2.4
119.03515	23.3
119.04362	1.6
120.99660	1.9
121.10258	9.3
122.06110	1.5
122.10600	0.8
124.07689	3.8
124.69852	0.9
129.01788	0.8
131.03516	2.0
132.04578	27.7
133.05377	13.8
134.06154	4.2
135.66209	0.7
140.47977	0.8
143.03531	2.6
148.04033	2.3
149.04536	1.6
161.04565	2.6
165.04343	19.2
165.09235	17.6
166.04643	1.3
177.04344	2.6
178.05093	1.5
179.05611	3.5
183.10271	4.2
186.09265	3.6
209.03249	4.1
213.06711	2.9
214.12349	4.7
215.11859	5.4
216.12312	0.8
226.07428	1.1
226.15332	1.1
228.13235	1.1
229.09802	2.6
241.09833	2.6
257.12927	16.6
258.13394	2.1
263.67297	0.9
283.10834	5.3
285.15207	1.7
301.11920	16.2
327.09891	1.4
345.10938	55.2
345.15640	91.2
346.11270	8.5
346.15921	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	345.1838
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15218	4.0
56.23342	4.1
57.68448	3.7
59.01367	26.0
61.98822	13.3
71.01362	4.7
71.02936	9.2
74.02483	4.5
78.95923	9.0
80.52878	4.1
84.28658	3.4
85.02943	6.0
92.55396	4.1
97.02972	12.5
102.05637	9.1
104.03542	21.0
116.07212	31.2
137.09721	8.5
171.10307	8.7
291.19574	9.1
309.17200	7.7
309.20721	100.0
310.20950	12.4
341.73532	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	345.1093
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70757	0.8
59.01376	3.6
62.86985	0.7
68.22576	0.7
69.43585	6.5
71.01382	1.4
71.54572	0.8
74.02480	4.2
89.02466	1.6
95.03768	1.9
97.01684	0.9
101.02484	0.9
104.05083	2.0
106.06627	4.6
113.02477	1.2
114.68777	0.8
116.03587	1.3
122.06105	1.9
124.07706	5.6
132.04570	34.3
133.05367	24.1
134.06172	3.8
138.90318	0.9
148.04062	1.5
150.05602	1.1
165.04337	20.1
166.04688	1.3
176.03560	1.7
177.04294	4.0
178.05096	1.5
179.05495	0.9
186.09282	4.1
198.09364	1.1
209.03329	4.8
213.06674	2.2
214.12413	6.8
215.11902	6.5
218.03462	0.7
226.07465	0.9
227.08167	1.1
229.09802	4.4
240.10382	1.5
241.09877	3.2
255.11491	1.4
257.12970	21.1
258.13290	2.4
283.10892	7.9
301.11923	17.4
301.67581	0.8
302.12183	1.7
327.10062	1.3
345.10922	100.0
345.17731	3.0
346.11270	11.7
346.15338	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1093
Annotation	Miraxanthin-V
Peak:m/z	Relative Intensity
55.71381	0.7
57.70946	0.8
59.01374	4.3
70.63040	1.6
70.82473	0.8
71.01381	3.0
80.05098	1.0
84.04533	1.1
89.02444	1.3
90.84698	0.8
95.03781	3.7
96.08187	1.4
100.26056	0.9
101.02431	1.1
104.05097	2.1
106.06644	8.1
120.04538	1.1
122.06140	4.8
123.03211	0.9
124.07712	9.9
132.04572	51.9
133.05362	34.3
134.06163	7.9
138.05629	1.0
146.55244	0.8
148.04062	1.8
150.05620	2.0
165.04324	27.7
176.03523	2.1
176.07123	1.0
176.28183	0.9
177.04305	3.9
178.05061	3.5
184.07660	1.8
186.09250	5.6
187.08781	1.7
198.09186	1.3
209.03314	6.2
213.06656	4.1
214.12369	11.1
215.11821	9.1
216.12148	0.9
226.07443	1.1
229.09848	4.3
240.10359	2.5
241.09856	4.9
242.10184	1.1
257.12936	36.0
258.13190	3.8
273.08893	1.0
283.10910	10.0
301.11948	28.3
302.12128	2.4
327.09900	1.8
345.10922	100.0
346.11209	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	345.0915
Annotation	Vatalanib
Peak:m/z	Relative Intensity
58.99597	3.3
59.01377	4.8
61.98823	1.6
71.01382	1.0
74.02475	100.0
77.46268	0.8
78.95892	1.1
84.97516	0.9
98.19868	1.6
100.00409	2.3
109.33202	0.8
116.01772	7.1
121.02967	1.3
123.04472	1.1
132.04570	1.0
133.44772	0.9
144.04567	1.5
145.06247	1.1
146.04611	1.2
155.03770	1.1
157.05328	2.5
158.06137	3.4
160.00685	2.4
177.12811	1.3
181.05353	1.0
182.06110	1.1
184.04050	1.0
184.07689	5.0
185.11832	1.1
186.09241	6.4
189.02550	2.6
195.13858	2.9
198.09196	1.2
200.09514	2.2
210.09314	3.9
211.00063	0.8
213.02528	2.9
215.11859	2.1
218.06451	14.3
219.06778	1.3
224.05853	1.9
240.09036	3.2
242.06425	2.8
244.08040	4.9
253.09792	1.8
255.11295	4.7
259.44025	0.8
263.97427	0.9
267.11343	18.6
268.11743	1.6
270.05966	1.3
292.88062	0.9
301.10172	1.0
311.10391	1.9
345.09143	40.1
345.22745	1.5
346.09460	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	343.249
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	0.4
59.01378	1.3
61.98830	0.4
66.02032	0.3
67.08117	0.2
69.03481	0.4
70.58065	1.0
73.66040	0.2
83.05009	0.5
88.74851	0.2
97.06623	0.3
99.08160	3.1
100.08483	0.3
113.09730	0.5
121.10242	6.6
125.09709	1.1
127.11287	1.4
131.40201	0.3
137.09738	1.9
139.11295	2.0
149.13248	0.4
153.09236	0.5
159.04570	0.3
165.09233	0.6
171.10281	41.1
172.10600	2.3
173.06215	0.3
193.12326	4.9
194.12656	0.5
197.15497	0.3
211.13402	1.8
225.12770	0.5
225.14958	7.8
226.15363	0.4
243.15987	2.1
261.46667	0.3
289.18063	1.7
293.18161	0.4
293.21140	2.5
311.22171	0.3
313.23752	0.3
323.21692	0.2
325.23892	0.4
328.16748	0.8
342.46460	0.3
343.24884	100.0
344.25232	12.9
348.32431	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.1353
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00615	0.8
59.01380	18.5
60.01692	0.6
61.98824	1.4
68.03313	0.5
69.62014	2.8
71.01389	16.6
72.00915	11.1
72.99318	0.7
73.05824	0.5
73.69817	0.5
80.16657	0.6
83.01393	0.6
85.02954	0.9
87.00882	1.3
88.04058	0.5
89.02457	17.9
91.05576	1.2
96.96021	0.7
101.02464	4.1
103.60959	0.5
113.02467	3.9
119.03520	2.6
119.05035	0.8
122.02473	0.9
131.03491	0.8
143.03528	1.7
147.04541	35.9
148.04871	1.8
149.04559	1.0
161.04529	1.8
164.07185	100.0
165.07561	5.3
179.05643	4.4
182.05527	0.8
228.17104	0.8
232.73717	0.6
236.71996	0.5
252.30652	0.6
344.10947	1.1
344.18298	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.1715
Annotation	Unknow
Peak:m/z	Relative Intensity
56.59562	0.5
58.00609	0.6
59.01379	24.8
69.49157	4.2
71.01385	10.7
72.04552	3.7
72.99303	0.9
73.02961	0.9
74.02476	100.0
75.02819	0.9
83.01373	0.8
85.02968	1.7
85.50991	0.5
87.00887	0.9
89.02450	8.3
95.01402	0.9
95.03786	1.2
97.01688	0.5
98.20668	1.1
101.02457	8.6
104.05057	0.6
106.06653	2.8
112.07713	0.9
113.02448	4.1
116.03551	47.4
117.03911	1.0
119.03520	4.8
120.99657	0.9
121.10258	3.0
122.06128	1.7
124.07693	3.1
132.04570	19.6
133.05342	12.4
134.06131	3.3
138.05605	1.2
148.04100	0.9
150.05661	0.9
161.04495	0.7
165.04327	13.5
165.09219	3.0
177.01942	0.6
177.04318	2.2
178.05171	1.0
179.05640	0.6
179.10677	0.7
183.10213	0.8
184.07600	0.6
186.09262	1.7
187.08797	0.5
198.09296	0.6
209.03323	3.4
213.06671	1.7
214.12350	3.8
215.11867	4.1
225.14986	1.6
226.07399	0.5
227.12920	5.3
229.09828	2.0
240.10269	0.9
241.09848	2.4
243.12292	0.8
255.49786	0.5
257.12943	13.7
264.04486	1.5
264.16086	0.7
266.13983	2.6
269.13959	0.5
282.17133	1.2
283.10895	4.6
284.14996	6.1
301.11932	11.3
326.16119	5.1
327.16388	0.6
344.17142	73.0
345.10913	42.9
345.15646	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	345.0801
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37187	0.5
53.59946	0.5
54.37210	0.4
59.01384	1.5
59.30443	0.5
61.98831	100.0
71.01387	1.4
71.69595	0.7
74.02491	0.5
78.95911	22.2
83.02468	0.5
89.02452	0.9
89.46930	0.4
96.96069	0.5
96.96958	6.6
98.02473	0.9
98.11552	0.5
99.00926	0.5
101.02412	0.7
110.02529	0.8
120.78426	0.4
120.96963	1.2
129.11948	0.4
130.08751	2.4
133.01573	0.7
134.04736	11.1
150.04256	1.3
154.01518	0.5
156.99927	1.1
164.56171	0.5
169.09949	0.5
170.96072	0.5
173.00877	0.9
186.12526	0.6
211.00131	25.6
267.09863	2.7
282.08569	0.8
284.12665	1.9
286.06339	0.6
290.13162	0.5
327.06873	0.5
328.15341	0.9
339.25052	0.6
345.10260	0.7
345.17697	1.0
346.05554	7.9
350.43585	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2127
Annotation	Gallicynoic acid F
Peak:m/z	Relative Intensity
57.03451	2.6
59.01379	4.6
61.53155	0.4
61.98836	0.9
69.03450	1.7
71.01381	1.8
71.05020	1.6
71.69623	0.5
71.70005	0.5
72.57002	0.4
73.02953	0.7
76.24540	0.5
80.02664	0.6
81.03455	0.6
83.05032	2.3
84.02181	3.0
84.02599	0.5
84.40416	0.4
85.02968	2.8
85.06599	2.0
87.04527	3.3
89.02456	0.9
93.03468	0.5
95.05042	6.8
96.96024	4.7
97.06601	1.6
106.04251	0.6
109.06613	0.9
111.04535	0.8
113.06105	2.1
115.07628	0.5
120.01320	0.5
120.99660	1.1
121.02976	0.8
123.04523	0.6
123.08182	1.2
125.09747	1.7
127.11278	2.3
134.04747	0.7
135.08157	1.5
137.09787	0.5
153.02022	0.7
153.09210	1.3
155.10782	0.9
163.11261	0.8
165.12851	1.1
167.14412	1.2
171.10284	18.9
172.10632	1.4
177.12839	1.0
181.12320	0.7
182.04634	0.7
183.13870	3.1
185.11862	1.4
193.12413	1.1
197.11726	0.7
201.11424	1.2
209.11838	4.1
210.74823	0.5
211.13397	13.3
212.13765	1.0
213.15091	0.4
221.11812	1.5
229.14436	19.0
230.14758	1.1
237.14946	9.5
238.15149	0.7
239.12885	1.3
249.14996	2.8
259.15479	0.8
267.15964	1.3
289.18073	1.5
307.19156	1.9
325.20224	7.4
326.20459	0.8
343.10776	4.3
343.21249	100.0
344.11411	0.5
344.17584	0.9
344.21628	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	343.249
Annotation	Tianshic acid methylester
Peak:m/z	Relative Intensity
57.03440	0.4
59.01369	1.1
61.98826	0.8
66.25425	0.3
69.03461	1.4
69.03760	0.2
70.09523	0.5
70.09937	0.8
71.01384	0.5
83.05022	1.2
88.04053	0.7
88.15286	0.2
97.06590	0.7
99.08166	7.7
100.08502	0.3
111.08164	0.4
113.09724	0.5
121.10242	2.8
125.09734	1.6
127.11291	0.9
132.03041	1.9
133.03401	0.5
137.09718	0.9
139.11299	0.9
149.13370	0.4
151.11252	0.3
153.09195	0.5
165.09154	0.4
165.12846	0.8
171.10283	19.4
172.10620	1.0
175.11264	0.9
193.12347	13.1
194.12680	1.0
197.15442	1.0
205.22267	0.2
207.13663	0.3
211.13387	2.3
225.14954	17.5
226.15286	1.9
243.15981	6.0
244.16350	0.4
293.21143	2.8
294.21472	0.4
305.48737	0.2
311.22382	0.5
325.23792	0.3
343.24884	100.0
344.25232	13.1
344.29504	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1036
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33970	0.4
51.83939	0.4
57.03451	0.9
59.01072	0.8
59.01375	14.0
61.01762	0.4
66.05824	0.4
69.77282	2.8
88.04050	0.9
93.03474	0.5
93.07092	0.5
95.05036	0.6
95.51802	0.4
107.05035	0.7
109.02971	6.3
109.06606	3.0
116.07183	0.5
119.05045	3.7
120.99685	0.6
121.02979	7.1
122.03873	0.7
135.04550	5.5
137.06107	30.2
138.06429	1.2
144.11267	0.4
166.02780	0.5
179.07127	2.5
180.07549	1.4
181.05093	100.0
182.05403	6.0
226.12056	0.7
243.51378	0.4
300.15646	1.2
343.10361	17.2
344.10876	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	343.1037
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43365	0.5
57.03441	1.0
58.99592	0.7
59.01379	66.4
60.22610	0.6
66.80141	0.6
70.32771	1.9
71.01400	2.8
78.95870	0.6
85.02942	0.9
87.73898	0.5
89.02464	1.4
94.99949	0.5
98.02501	1.1
101.02451	1.5
102.98611	2.2
110.62209	0.5
113.02489	2.2
113.03629	0.7
116.07158	0.9
119.03526	1.5
120.01366	0.6
120.99671	5.0
121.02972	100.0
122.03254	4.5
130.08786	4.2
135.04523	1.7
136.05276	1.0
138.09224	0.9
143.11864	0.6
149.06110	0.9
152.07191	1.2
161.04567	0.9
163.04002	1.0
166.08800	0.6
179.07060	1.4
179.31168	0.5
180.04295	1.4
180.07573	0.6
181.05032	1.0
181.08821	1.2
196.96773	0.7
213.05878	1.2
218.96329	0.5
229.15619	0.6
247.14407	0.6
283.08298	0.8
299.16000	0.8
309.14499	6.4
326.17181	2.7
343.10480	1.7
343.19836	0.7
344.18338	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.116
Annotation	Unknow
Peak:m/z	Relative Intensity
58.12219	0.3
59.01372	0.9
61.98824	0.6
71.01367	0.4
80.80825	0.3
80.91682	0.8
81.03473	0.3
83.05064	0.4
99.63238	0.3
102.05635	0.4
104.03532	1.2
105.07158	0.3
107.05016	0.6
109.06599	0.9
121.03019	0.3
134.07384	0.9
147.62231	0.3
149.06117	0.7
151.45070	0.3
161.06090	1.2
162.06888	4.4
163.07253	0.3
171.10266	0.4
173.02515	0.3
185.02359	0.4
201.11371	1.0
206.05833	3.4
215.16371	0.3
217.05057	1.0
217.08694	1.2
217.12314	3.8
238.04814	5.1
239.05128	0.3
243.10210	0.4
261.11288	100.0
262.11624	9.2
273.51093	0.3
333.84357	0.4
341.18765	0.3
343.10663	0.5
343.21265	0.5
343.24857	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.0858
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66010	0.4
56.98027	0.5
57.03440	1.6
59.01381	4.2
64.35517	0.4
70.31577	0.7
70.31934	1.4
71.01384	2.1
71.05014	0.5
89.02461	2.0
96.42699	0.4
96.96005	0.5
101.02453	11.5
106.97260	0.4
111.04505	0.5
113.02442	0.7
118.98127	0.5
120.99672	100.0
121.02977	1.8
122.00011	1.4
122.02013	1.3
130.08812	0.5
136.99178	0.5
137.04324	6.5
138.22591	0.4
141.03859	1.0
153.01958	0.5
179.10835	0.5
181.03294	0.7
203.07162	1.3
209.09779	0.6
219.06615	2.3
221.08191	1.7
237.05905	6.9
238.06313	0.7
255.06979	0.9
257.08545	1.9
271.09674	0.9
300.15622	0.9
343.14154	0.9
344.11652	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	343.1035
Annotation	Teuhircoside
Peak:m/z	Relative Intensity
56.18072	0.4
56.46196	0.4
59.01379	10.2
69.95157	2.0
70.98165	0.4
71.01390	6.6
73.02966	0.9
75.00891	0.8
83.01405	0.9
85.02946	1.8
87.00878	2.2
89.02448	4.0
93.03464	1.0
95.01381	0.5
99.00881	0.5
101.02444	3.6
108.02185	7.1
109.02973	7.1
113.02461	2.1
119.03493	0.9
121.02975	2.8
122.03751	2.9
123.00908	3.2
123.04544	8.4
124.01697	3.3
129.01991	0.8
136.01637	0.9
137.02461	4.4
137.06105	1.3
138.03220	0.9
139.04034	20.6
140.04384	0.5
148.01686	0.9
149.02408	0.5
149.06064	0.9
150.03250	10.1
151.03984	1.0
153.01942	0.8
153.05600	1.1
156.66449	0.4
164.01164	1.9
165.01950	35.4
165.05618	1.2
166.02734	14.1
167.03499	3.9
179.03484	2.0
180.04198	0.7
181.05078	27.4
182.05385	1.2
195.02979	1.9
328.08008	9.3
329.08206	1.0
329.74304	0.5
343.10342	100.0
344.10678	10.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.2333
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	0.5
57.75681	0.3
59.01385	1.9
69.03452	1.2
70.71449	0.6
70.71783	0.6
71.01389	0.7
83.05030	1.7
84.02183	2.7
89.02440	1.2
95.05051	0.3
97.02959	0.9
97.06605	9.8
99.04536	0.7
113.02494	0.3
121.10276	0.4
125.09726	1.5
137.09721	1.3
151.11322	0.6
159.11903	0.3
165.12891	0.7
171.10283	9.9
172.10664	0.5
175.11267	0.9
177.12808	0.6
183.13892	0.5
193.12346	14.0
194.12602	0.9
197.15506	0.5
211.13426	2.5
221.11736	0.7
225.14960	20.9
226.15321	1.2
243.15984	7.6
244.16275	0.8
253.14435	1.2
291.19794	1.2
305.21249	0.4
323.22379	0.5
341.23331	100.0
342.23669	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	342.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	2.6
61.98824	1.1
69.03432	0.4
70.10464	0.6
70.10875	0.8
71.01386	4.8
72.00904	0.5
72.01710	0.3
88.04045	32.2
89.02439	0.6
89.04385	0.8
90.02805	0.5
95.05047	0.3
99.08162	1.1
101.02455	0.3
102.05618	1.3
113.03591	0.5
114.01970	3.0
115.00385	10.3
116.00685	0.3
119.03487	0.3
119.23287	0.3
121.02974	0.5
125.09743	0.4
131.04646	0.8
132.03041	100.0
133.03407	2.5
134.04721	0.4
151.11301	0.3
159.15379	0.3
171.10307	1.3
179.05627	0.3
180.06015	0.3
193.12369	1.8
211.13513	0.6
225.14920	3.1
243.16008	0.9
254.21381	0.5
293.21259	0.4
342.11227	0.7
342.16736	0.3
342.22943	0.4
343.24890	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	343.0373
Annotation	Unknow
Peak:m/z	Relative Intensity
58.88827	0.1
59.01377	80.7
60.01704	0.8
61.98830	0.6
62.35996	0.1
64.00441	0.1
64.00821	0.2
70.68982	0.6
76.22916	0.1
115.02509	0.3
117.00433	0.2
156.90813	0.2
157.03574	5.6
158.03746	0.2
159.01503	3.8
160.01543	0.4
198.38087	0.2
201.02557	100.0
201.89394	0.3
202.02721	9.4
203.62598	0.2
220.71091	0.2
223.16698	0.2
249.06656	0.2
277.02261	0.2
343.03723	3.5
344.03958	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1243
Annotation	Myzodendrone
Peak:m/z	Relative Intensity
57.03448	29.0
58.00583	0.4
58.03795	0.5
59.01379	6.9
70.88525	0.5
70.88857	0.3
71.01388	4.2
80.73624	0.3
85.02960	0.8
89.02452	5.1
90.75162	0.2
93.03472	0.9
95.01399	0.3
96.28268	0.2
101.02454	2.0
104.68879	0.2
109.02968	1.9
113.02454	1.7
119.03545	1.9
119.05056	0.4
121.02972	26.5
122.03288	1.1
130.21686	0.3
131.03523	0.4
134.03853	0.3
134.54784	0.3
135.04543	10.3
136.04869	0.4
136.31818	0.3
143.03493	0.3
161.04581	1.0
163.03958	0.5
179.03767	6.0
179.07150	100.0
180.07495	6.8
187.43520	0.3
193.04953	0.3
338.47559	0.3
341.12158	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	341.1243
Annotation	Myzodendrone
Peak:m/z	Relative Intensity
51.23758	0.2
57.03448	29.7
58.00591	0.4
58.03789	0.3
59.01379	5.6
69.80680	0.4
69.81093	0.7
71.01386	3.1
78.82114	0.2
85.02967	0.6
89.02450	4.2
93.03441	0.9
98.19917	0.4
101.02448	1.5
109.02970	2.1
113.02471	1.4
119.03542	1.3
121.02973	25.2
122.03271	1.0
134.03754	0.6
135.04575	0.3
143.03529	0.4
161.04596	0.4
178.02286	0.2
179.07152	100.0
180.07501	7.0
185.45451	0.2
193.05081	0.7
341.11978	3.3
342.12289	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1243
Annotation	Myzodendrone
Peak:m/z	Relative Intensity
53.14521	0.2
53.36253	0.2
57.03449	28.7
58.03789	0.5
59.01387	0.9
59.89565	0.2
60.79534	0.2
68.46320	0.2
69.27325	0.2
69.75887	1.7
71.01402	0.7
89.02460	0.7
93.03473	0.8
96.52240	0.2
98.19862	0.2
101.02458	0.4
109.02959	2.3
119.03472	0.3
121.02976	24.5
122.03316	0.9
179.07155	100.0
180.07500	5.5
204.40820	0.2
277.49106	0.2
290.85168	0.2
296.81915	0.2
304.44260	0.2
311.96985	0.2
341.12424	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	341.1088
Annotation	Trehalose
Peak:m/z	Relative Intensity
55.01870	1.2
57.03449	4.5
58.00594	4.7
59.01377	100.0
59.20868	0.6
60.01728	1.5
61.07397	0.5
63.30803	0.8
70.46938	2.4
71.01384	77.6
72.01719	1.7
72.99296	3.1
73.02956	0.9
80.75813	0.6
83.01398	2.6
85.02962	9.5
87.00882	4.4
89.02451	86.7
90.02780	1.9
95.01421	3.1
97.02922	0.8
98.19934	0.7
101.02453	32.7
102.02779	0.9
107.03509	0.8
113.02462	23.0
114.02776	1.5
119.03515	32.0
120.03870	1.0
121.02966	2.5
125.02429	0.8
125.73145	0.6
131.03551	4.6
134.99373	0.6
135.04533	3.6
135.73346	0.5
143.03516	8.0
149.04530	3.5
161.04573	9.2
179.03560	1.9
179.05620	37.1
179.07155	11.0
180.05928	1.3
180.07416	0.9
241.24280	0.7
341.10895	48.7
342.11127	4.1
349.87582	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.109
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36608	0.5
55.01871	1.0
57.03444	2.5
58.00591	4.4
59.01377	100.0
60.01718	1.1
61.98827	1.4
63.69018	0.5
66.16061	0.5
70.85915	1.4
71.01382	74.0
72.01721	1.8
72.99299	4.0
73.02953	2.5
75.00902	0.7
75.80377	0.5
78.95920	0.8
83.01398	2.5
85.02958	9.7
87.00872	4.2
89.02451	91.8
90.02777	1.1
95.01394	3.8
96.96985	1.0
99.00919	0.8
101.02452	35.2
102.02803	1.0
107.03555	0.9
113.02459	28.6
114.02824	0.6
119.03514	31.7
119.75784	0.6
120.03861	0.8
120.79224	0.6
121.02959	0.8
125.02433	1.0
131.03497	4.0
133.01488	0.7
135.04541	4.4
143.03522	8.4
149.04575	3.1
161.04582	9.4
161.87643	0.6
179.03560	3.9
179.05634	41.5
179.07114	3.6
180.05913	1.7
181.35065	0.5
197.07399	0.6
248.29430	0.6
252.55191	0.6
341.10904	57.2
342.11172	5.9
347.70206	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1089
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25003	0.4
55.01882	0.6
57.03443	2.3
58.00595	4.6
59.01377	100.0
59.52190	0.5
60.01693	1.1
70.46790	1.8
70.47145	0.6
71.01384	70.4
71.43398	0.5
72.01718	1.1
72.99295	3.0
73.02943	1.8
74.95466	0.6
78.14371	0.5
79.58224	0.6
83.01403	2.1
85.02959	9.2
87.00884	4.0
88.60571	0.4
89.02452	78.3
90.02794	1.3
92.48161	0.5
95.01381	3.5
97.02954	0.5
101.02454	29.9
102.02774	0.9
113.02462	24.0
114.02793	1.0
119.03518	27.4
120.03841	0.6
125.02473	1.3
131.03500	3.4
143.03510	7.7
149.04578	2.6
161.04578	9.8
162.04811	0.7
179.05626	36.0
179.06953	1.3
180.06058	1.0
313.33188	0.5
341.10901	54.0
342.11325	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1088
Annotation	Sucrose
Peak:m/z	Relative Intensity
52.45490	0.4
55.01872	0.9
55.45806	0.5
56.76688	0.5
57.03441	1.7
58.00593	4.2
59.01377	100.0
60.01712	1.5
61.98833	0.8
71.01385	71.9
72.01719	1.3
72.99316	3.8
73.02951	1.9
75.00885	0.4
83.01408	1.8
85.02957	8.9
87.00886	4.4
89.02451	83.9
90.02793	1.8
95.01404	4.1
97.02979	0.5
98.20673	0.9
99.00889	0.7
101.02454	33.1
107.03486	0.7
113.02464	27.1
114.02805	1.0
117.01968	0.5
119.03519	27.4
120.03866	0.7
122.74143	0.4
125.02485	1.0
131.03514	4.3
133.01407	0.7
135.04564	0.9
143.03519	8.0
145.21423	0.5
149.04573	3.3
161.04588	11.0
179.05630	37.7
180.06012	1.5
229.25000	0.6
341.10901	53.8
342.11261	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	341.088
Annotation	Chaenorrhinoside
Peak:m/z	Relative Intensity
53.05050	0.4
57.03447	27.6
58.00579	0.8
58.03777	0.6
58.92775	0.4
59.01377	20.5
61.98832	13.1
70.80657	0.9
70.81030	0.7
71.01385	16.4
72.99288	0.7
78.83266	0.4
81.95642	0.4
83.01371	0.7
85.02951	1.7
87.00877	1.2
89.02453	18.7
93.03445	1.0
95.01408	0.8
95.13585	0.4
97.59593	0.4
99.00826	0.4
101.02455	7.9
103.86700	0.4
107.05049	1.2
109.02950	2.1
113.02470	6.4
117.03464	0.5
119.03518	6.6
121.02971	22.8
122.03292	0.9
131.03531	0.8
134.03787	3.2
135.04544	100.0
136.04878	5.2
137.02533	0.5
143.03525	1.5
149.04597	0.5
161.04553	2.5
177.01930	0.5
179.03534	95.9
179.05583	6.8
179.07126	97.7
180.03871	6.1
180.07469	5.6
341.11450	11.0
342.11691	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1089
Annotation	D-(+)-Trehalose
Peak:m/z	Relative Intensity
50.31674	0.7
55.01879	0.8
57.03459	5.2
58.00593	4.0
59.01378	100.0
60.01715	1.2
61.98838	4.7
70.54526	1.4
71.01384	68.7
72.01720	1.3
72.99297	4.3
73.02957	2.5
75.00878	6.4
78.95924	1.6
83.01404	1.7
85.02948	8.2
87.00889	5.4
89.02451	87.4
90.02808	1.8
95.01392	4.5
96.95993	0.7
96.96970	1.0
99.00936	0.8
101.02454	33.9
102.02813	0.9
103.04065	0.6
105.50187	0.6
113.02464	27.9
113.39410	0.6
119.03515	29.9
120.03820	1.1
121.02970	3.5
125.02419	0.9
131.03487	5.3
135.04546	9.3
137.79184	0.6
143.03535	9.9
149.04593	2.7
161.02519	0.8
161.04562	10.3
179.03561	7.6
179.05643	37.0
179.07181	13.7
180.03960	0.6
180.05968	1.8
180.07434	1.1
243.09802	0.8
266.02768	0.6
341.10944	53.1
342.11292	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	341.088
Annotation	Caffeic acid 3-glucoside
Peak:m/z	Relative Intensity
51.67274	0.5
55.97193	0.5
57.03447	8.1
57.92826	0.4
58.00584	1.9
59.01381	46.2
61.98797	0.8
66.35500	0.5
70.75645	1.6
71.01387	29.9
72.01723	0.7
72.53506	0.5
72.99311	1.5
73.02957	0.8
83.01425	0.7
85.02954	4.1
87.00901	2.6
88.94107	0.5
89.02452	35.4
90.02828	0.6
93.03490	1.4
95.01398	1.9
101.02456	15.7
107.04985	0.8
113.02465	12.8
118.98127	0.6
119.03519	13.0
119.04913	0.6
121.02979	6.6
131.03555	1.3
134.03758	2.3
135.04543	98.4
136.04863	3.7
137.02495	1.5
143.03557	3.6
149.04605	1.4
161.02446	0.8
161.04605	3.6
177.01942	1.7
178.02321	1.2
179.03523	100.0
179.05595	15.1
179.07159	27.3
180.03818	5.3
180.07558	1.1
282.22238	0.5
341.08478	8.6
341.11044	17.2
342.09091	0.6
342.11557	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0878
Annotation	Chaenorrhinoside
Peak:m/z	Relative Intensity
57.03444	23.4
58.00611	0.5
59.01374	12.3
61.98825	2.0
70.73024	1.1
71.01381	10.0
72.99306	0.8
85.02962	1.2
88.09756	0.4
89.02451	10.3
90.02749	0.4
93.03465	0.7
95.01385	0.4
101.02455	4.6
101.14820	0.4
107.05041	1.0
108.02210	0.3
109.02982	1.6
113.02469	3.1
119.03506	3.8
121.02967	20.2
122.03204	0.4
123.36623	0.4
130.67912	0.4
131.03490	0.4
134.03755	2.9
135.04535	100.0
135.59421	0.4
136.04874	4.6
140.92221	0.3
143.03587	0.9
161.04543	1.2
174.18665	0.4
179.03520	98.9
179.05547	4.0
179.07114	83.0
180.03853	4.5
180.07500	4.0
216.06996	0.4
263.36035	0.3
341.08505	2.4
341.11929	4.6
342.12039	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2176
Annotation	3alpha-Hydroxy-3,5-dihydromonacolin L acid
Peak:m/z	Relative Intensity
56.11067	0.6
57.03445	1.3
57.84725	0.6
59.01374	6.0
61.98834	2.9
70.41969	3.1
73.02972	1.7
73.80499	0.7
79.95745	1.0
85.02956	1.2
85.06624	0.7
94.04255	1.7
95.05064	1.3
97.06583	0.9
101.02441	0.8
101.06093	5.6
102.05621	2.4
108.02206	0.8
109.06598	0.9
111.00919	0.7
119.59981	0.6
121.03003	1.8
124.05310	0.6
127.07590	0.7
127.11279	0.7
129.01974	3.0
134.03746	0.6
135.04562	1.3
137.09735	1.6
139.11299	1.6
147.04512	1.8
155.10788	6.6
156.04309	1.2
156.11139	0.7
171.10303	1.2
177.01955	3.8
178.10019	6.0
183.01218	5.1
191.14423	2.4
193.16013	2.1
209.15506	2.2
209.19093	2.7
219.13904	2.4
235.13368	15.2
235.17041	1.5
236.13518	0.8
237.14961	92.2
238.15279	7.9
251.20129	3.2
253.14462	13.4
254.14841	1.2
261.18491	2.3
264.13699	0.9
279.19650	9.2
280.14841	0.7
280.20044	0.9
293.21249	1.3
295.09622	1.5
295.22791	1.3
303.19681	3.4
321.20709	100.0
322.21060	12.8
339.08505	2.3
339.12418	1.3
339.16367	7.1
339.21701	11.9
340.22275	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.254
Annotation	Blepharizol A
Peak:m/z	Relative Intensity
56.63733	0.3
59.01379	100.0
60.01720	1.4
60.39894	0.2
61.98836	0.3
62.28897	0.3
70.85414	0.5
71.01402	0.4
85.02972	0.4
99.00883	1.3
104.72264	0.2
110.06614	0.3
111.00916	1.2
126.23798	0.2
129.01965	1.0
177.01967	0.6
183.01201	0.9
204.45721	0.3
209.19135	0.3
221.19037	0.4
251.23709	0.4
263.20026	0.4
265.18051	0.5
265.21548	0.3
279.10562	0.3
279.20065	0.6
279.23251	6.3
280.23526	0.5
291.19519	0.3
295.19382	0.3
297.24359	41.1
298.24719	4.3
321.20517	0.3
339.20078	2.7
339.25388	17.5
340.20425	0.8
340.25650	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	339.0723
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28467	0.1
58.85915	0.1
67.41731	0.1
70.05540	0.9
70.05949	0.3
81.15252	0.1
86.71465	0.2
88.96996	0.1
90.20515	0.2
93.03481	0.3
95.95040	0.2
98.19976	0.2
105.03492	0.5
108.02216	0.9
120.02232	0.2
121.02962	0.5
123.04538	0.6
124.35791	0.2
132.02191	0.2
133.02983	1.4
133.35695	0.2
148.01672	0.5
149.02486	1.1
175.99593	0.4
176.01166	10.9
177.01945	100.0
177.60034	0.2
178.02284	5.4
194.50882	0.1
196.97939	0.2
339.07211	27.1
340.07626	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.0722
Annotation	Unknow
Peak:m/z	Relative Intensity
69.76926	0.6
69.77345	1.7
93.03487	0.7
98.19892	0.4
105.03474	0.9
108.02200	1.0
120.02196	0.5
121.02966	1.1
123.04540	0.6
133.03003	1.7
148.01654	0.6
149.02469	1.2
157.59064	0.3
174.43884	0.3
176.01181	9.1
177.01958	100.0
178.02303	5.3
225.66278	0.3
228.73782	0.3
339.07214	51.2
340.07581	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	339.0721
Annotation	AESCULIN
Peak:m/z	Relative Intensity
54.47148	0.1
55.60915	0.1
59.01385	0.6
71.47775	0.4
75.42823	0.1
76.91522	0.1
81.03481	0.2
82.50806	0.2
89.03977	1.6
104.02712	0.5
105.03470	2.8
123.58526	0.2
133.02971	7.7
134.03284	0.3
139.04144	0.1
140.26395	0.2
143.19965	0.2
148.01672	0.8
149.02432	1.0
158.73145	0.2
176.01180	1.6
177.01949	100.0
178.02293	5.1
221.00926	0.2
339.07193	15.0
340.07599	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	0.5
59.01377	100.0
60.01719	1.2
61.98833	0.4
68.53864	0.3
69.79698	2.4
71.01376	3.2
71.49493	0.3
73.02949	1.2
79.64215	0.4
83.01404	0.8
85.02954	2.8
86.03326	0.6
86.59663	0.3
87.00897	1.0
89.02466	0.8
93.03482	0.8
94.03792	0.5
94.96233	0.4
95.01405	0.4
98.19978	0.5
99.00900	0.5
101.02452	2.4
111.00919	1.6
112.01229	0.5
113.01335	0.5
113.02493	1.1
121.02977	0.5
127.03970	0.4
133.02960	0.4
133.06601	0.6
149.02457	1.0
151.64868	0.3
159.03043	0.4
161.04620	1.7
163.40025	0.4
164.04651	0.4
176.01244	1.4
177.01938	11.7
177.05449	0.8
178.02316	0.9
191.05605	9.7
191.07356	0.4
192.05946	8.1
193.06076	16.7
194.06444	0.7
223.06125	0.6
233.12021	0.4
279.14450	4.5
279.17160	0.5
339.07059	2.7
339.10834	0.5
339.15240	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.0722
Annotation	Esculin sesquihydrate 
Peak:m/z	Relative Intensity
50.26926	0.1
57.52439	0.1
58.00587	0.2
59.01377	2.7
61.98835	0.2
69.03464	0.1
71.01382	2.7
71.71671	0.1
72.99316	0.2
73.02942	0.2
74.02016	0.1
77.03972	0.2
83.01418	0.2
85.02967	0.4
89.02448	1.3
89.03955	0.2
89.07979	0.1
93.03470	1.0
95.01400	0.3
95.05045	0.3
96.95982	0.1
101.02481	0.8
105.03461	1.0
105.07134	0.2
105.10763	0.1
108.02180	1.8
113.02467	0.7
115.00365	0.4
115.05544	0.4
119.03502	0.6
120.02197	0.6
121.02968	1.9
121.93726	0.1
123.04560	1.5
131.05048	0.3
132.02199	0.4
133.01483	0.1
133.02989	2.4
133.06638	0.7
135.04491	0.7
136.01804	0.1
147.04535	0.3
148.01688	1.1
148.09641	0.1
149.02466	4.2
150.02776	0.2
158.03716	0.1
159.04543	1.6
164.04790	1.9
176.01164	11.5
177.01942	100.0
178.02283	5.5
178.99886	0.2
179.07210	0.1
191.05605	0.1
193.01288	0.1
208.03726	0.2
223.06114	3.6
224.06468	0.3
294.20386	0.1
339.07205	22.2
340.07516	2.4
344.44632	0.1
363.40784	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	339.0723
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46463	0.1
53.33633	0.1
57.59668	0.1
59.01361	0.2
66.46534	0.1
70.34904	0.5
92.11388	0.1
93.03464	1.1
95.05027	0.2
105.03482	1.2
121.02985	1.4
123.04554	1.4
131.95522	0.1
132.02180	0.5
133.02979	2.1
139.04095	0.1
149.02455	1.7
176.01169	0.5
177.01947	100.0
178.02284	5.7
236.33321	0.1
278.49249	0.1
339.07239	2.4
340.07443	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.1092
Annotation	Unknow
Peak:m/z	Relative Intensity
57.84855	0.4
59.01379	15.5
60.01715	2.4
60.01975	0.4
61.98829	100.0
70.16193	1.4
71.01390	1.8
75.57655	0.4
78.95923	0.5
85.02982	0.7
87.00935	0.4
89.02466	1.3
89.03965	0.7
92.50127	0.5
93.03496	1.9
94.03801	0.6
96.95994	0.5
101.02485	0.5
104.02613	0.5
105.03480	2.3
120.69395	0.4
130.06181	0.7
132.98006	0.4
133.02977	5.6
135.04536	1.4
142.23418	0.4
148.01698	1.8
149.02473	1.0
150.03809	0.4
157.30795	0.4
163.04019	1.0
164.07133	0.7
176.01176	5.0
177.01944	85.7
191.05612	3.9
192.05971	3.5
199.12497	0.4
203.08365	0.5
291.12875	0.4
296.25943	0.4
308.12524	0.8
335.76187	0.5
338.13846	0.5
339.07220	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	338.1609
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09735	1.5
55.99842	1.5
57.03446	5.2
59.01380	35.2
60.01714	7.6
61.01797	11.3
61.98831	100.0
62.02147	1.7
70.23296	7.4
71.01400	1.7
73.02951	16.6
74.02484	6.2
77.03016	1.5
78.95917	2.9
83.01396	9.3
83.55975	1.4
88.02769	2.6
95.05053	2.3
99.00919	9.8
99.37001	1.4
101.02442	1.8
105.03472	7.3
106.03822	3.4
107.04037	1.8
127.00401	26.8
127.01321	2.2
133.02968	14.3
134.03738	6.0
135.04517	12.9
137.02420	2.0
142.99980	1.4
145.01393	1.5
177.01961	16.0
178.02744	7.8
179.03482	8.4
189.00426	15.1
190.00821	2.1
295.09933	2.2
307.19214	2.8
309.20642	8.9
310.21127	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	337.202
Annotation	(E,E)-(-)-11-Dimethyl-3-[(acetyloxy)methyl]-7 2,6,10-dodecatriene-1,5-diol 1-acetate
Peak:m/z	Relative Intensity
59.01379	100.0
60.01711	1.9
61.98843	1.4
67.03758	0.5
71.05023	0.6
71.41413	1.1
84.02191	1.1
89.03994	0.5
101.80718	0.5
105.03484	1.7
107.05045	18.9
108.02209	0.5
108.05385	0.7
134.44400	0.5
134.62224	0.5
141.16924	0.5
151.11320	3.8
152.99583	0.9
169.12346	5.7
188.46870	0.6
191.05634	1.0
259.17123	1.4
261.06107	0.5
272.61816	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2022
Annotation	(E,E)-(-)-11-Dimethyl-3-[(acetyloxy)methyl]-7 2,6,10-dodecatriene-1,5-diol 1-acetate
Peak:m/z	Relative Intensity
51.42066	0.8
59.01378	100.0
60.01697	1.4
61.98834	2.1
71.61602	1.3
92.43417	1.2
119.03584	0.9
140.81940	0.9
191.05583	3.7
235.07518	0.9
247.17024	0.9
265.17923	1.1
277.12415	1.9
337.23740	2.2
338.19711	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2384
Annotation	Betaenone E
Peak:m/z	Relative Intensity
50.28194	0.3
59.01378	100.0
60.01720	1.3
61.98849	0.5
71.01414	0.6
71.66785	0.5
83.93041	0.3
93.17328	0.3
100.53901	0.4
172.23964	0.3
182.21773	0.3
191.05658	0.9
265.21954	0.5
277.21704	6.9
278.22137	0.7
295.22787	37.3
296.23129	4.2
299.00525	0.3
337.20175	0.7
337.23798	11.0
338.24109	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	338.0879
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.5
61.41443	0.4
61.98830	100.0
70.36466	0.5
71.38022	1.0
74.78841	0.5
82.55926	0.5
89.67996	0.4
91.40405	0.5
97.45078	0.4
119.05034	1.1
120.27388	0.5
129.57823	0.5
162.06950	0.7
177.01973	1.2
192.23918	0.4
203.10838	1.3
217.05098	2.0
238.04890	0.6
247.09749	4.6
249.91954	0.5
252.07626	0.7
275.09235	34.9
276.09525	3.5
279.06516	0.8
279.13782	0.5
280.06863	2.6
280.14752	1.4
292.06927	0.8
295.17151	1.8
307.09222	0.9
308.06488	2.5
322.08044	0.7
323.08990	1.6
338.11218	3.1
339.12521	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98717	0.3
58.65554	0.3
59.01378	100.0
60.01715	1.2
69.89409	0.6
69.89812	1.4
85.02967	0.5
88.73575	0.4
89.02431	0.6
93.03481	0.8
94.00709	0.4
99.64283	0.3
111.00897	2.7
117.33246	0.4
125.87952	0.3
148.79437	0.4
163.04143	0.4
173.01021	0.6
191.05626	8.0
192.06020	0.7
253.54811	0.4
255.30605	0.3
277.42511	0.3
292.40506	0.4
337.09232	0.5
337.15286	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1691
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.0
57.40002	0.3
58.99596	0.4
59.01382	3.1
61.98815	0.4
62.18138	0.4
70.14625	1.2
70.15028	0.7
71.01381	1.0
72.04900	0.4
73.02955	7.4
73.98338	0.3
83.01388	5.5
84.25857	0.4
85.02957	1.5
87.00866	2.3
93.03483	1.4
97.50941	0.4
99.00885	4.5
101.02481	0.4
111.00901	1.6
111.04510	0.5
114.01580	0.4
115.07632	0.5
118.33976	0.4
119.05047	0.8
127.00391	9.8
127.04054	0.4
142.99890	0.6
163.04053	0.6
164.56050	0.4
167.05443	0.4
173.00887	0.5
173.04652	0.6
189.00420	9.4
191.05624	20.4
192.05971	0.7
193.05067	0.4
203.11131	1.4
249.15285	69.1
250.15666	4.1
285.23953	0.4
337.16898	100.0
338.17227	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	337.0931
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04910	0.2
58.00603	0.2
59.01376	4.1
60.90063	0.2
60.99295	0.3
67.01884	0.8
69.03452	0.5
70.67822	0.6
71.01385	2.1
72.99319	0.4
73.02966	0.3
81.03445	0.4
83.01413	0.4
83.05027	0.4
85.02958	8.4
85.03476	0.4
87.00892	1.7
89.02437	1.1
93.03468	4.2
95.01421	0.3
99.00891	0.3
99.04523	0.4
101.02482	1.0
101.06100	0.4
109.02961	0.7
111.00894	8.5
111.04535	1.2
112.01246	0.3
113.02432	0.6
119.03503	0.5
119.05032	1.7
127.04037	1.7
129.01978	0.5
145.02980	0.7
146.79196	0.2
149.11465	0.2
154.99867	1.1
155.03665	0.2
156.43925	0.2
159.98418	0.2
163.04030	1.9
171.03026	0.4
171.18538	0.2
173.00931	3.6
173.04572	1.9
188.92146	0.2
191.05623	100.0
192.05968	4.7
337.09265	3.1
337.15073	3.4
338.09402	0.3
338.15366	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0931
Annotation	3-p-coumaroylquinic acid
Peak:m/z	Relative Intensity
57.03445	0.6
59.01380	4.9
60.99295	0.7
63.40451	0.3
67.01895	4.1
69.03456	0.7
70.42588	1.4
71.01386	1.2
73.02927	0.3
81.03460	1.0
83.05031	0.7
85.02950	5.1
87.00887	5.4
93.03471	22.0
94.03790	0.9
98.20586	0.3
99.04507	0.5
105.25095	0.3
109.02969	0.6
111.00899	0.8
111.04535	3.4
117.03474	0.5
119.05047	8.2
127.04067	1.5
129.01956	0.8
145.02962	1.3
155.03481	0.6
155.53802	0.3
163.02762	0.6
163.04034	7.8
164.04387	0.6
173.00932	0.4
173.04572	7.3
174.04857	0.4
191.05626	100.0
192.05972	4.5
255.25476	0.3
337.09335	3.7
338.09579	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.093
Annotation	4-p-Coumaroylquinic acid
Peak:m/z	Relative Intensity
57.03432	0.2
59.01376	1.3
60.99294	0.2
67.01566	0.1
67.01891	0.5
69.03462	0.2
69.32236	1.4
71.01379	1.0
73.02969	0.1
81.03448	0.3
83.05031	0.3
85.02955	5.8
85.03473	0.3
86.03268	0.2
87.00887	1.6
93.03464	3.7
93.23033	0.2
99.04507	0.2
101.02471	0.2
101.93694	0.1
109.02964	0.5
111.04530	1.2
113.02405	0.2
119.05017	1.2
127.04019	1.6
142.94971	0.1
145.02942	0.7
153.01981	0.1
155.03491	0.2
163.04034	2.3
164.04211	0.2
171.03015	0.4
173.04552	1.9
191.05621	100.0
192.05956	3.9
279.38040	0.2
337.09262	3.1
337.15094	0.6
338.09656	0.4
346.97803	0.1
356.03986	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	335.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	2.4
58.02144	0.3
59.01373	1.2
69.59405	2.2
71.01397	0.7
81.03493	0.5
83.05031	7.1
85.02956	0.5
87.00883	1.1
101.02443	0.8
109.06598	1.5
111.08171	61.5
112.08517	3.2
116.60503	0.3
120.99653	0.3
129.09219	3.0
144.06981	0.3
161.04588	0.9
166.05151	0.7
173.08202	100.0
174.08542	6.1
175.26390	0.3
175.99344	0.3
179.05603	1.4
210.04126	1.0
210.67882	0.3
212.55524	0.3
335.13474	24.8
336.13837	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	335.2203
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01107	4.7
59.01379	59.7
61.98790	3.8
68.73183	2.7
71.26627	4.5
71.26940	4.6
79.00457	2.9
99.00658	15.4
99.92580	6.8
113.99272	3.7
253.21733	94.9
254.22061	11.1
265.63403	3.2
284.89566	3.0
335.22021	100.0
336.22354	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	336.1301
Annotation	Unknow
Peak:m/z	Relative Intensity
56.60506	0.4
57.03464	0.6
59.01369	1.3
61.98832	0.7
71.01379	3.6
71.69235	0.5
71.69598	0.6
72.99338	0.8
73.02935	0.7
75.00856	0.5
83.01407	1.2
85.02953	1.6
85.61465	0.5
99.00882	3.1
110.98474	0.5
111.00890	2.9
111.01992	0.7
112.98821	7.3
115.00410	1.0
117.01939	0.5
120.85992	0.5
129.01967	3.9
130.08757	100.0
131.09096	4.3
142.99863	1.6
145.01459	0.9
173.00932	3.2
205.03577	1.4
253.62482	0.5
307.59991	0.5
337.04349	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0567
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	93.5
60.01720	0.9
67.01891	3.5
69.96690	2.1
71.01371	0.9
72.99309	2.7
83.01390	2.1
85.02959	17.4
86.03297	0.5
87.00904	2.0
92.40235	0.4
93.03466	4.8
99.00865	1.2
101.02450	1.9
110.37749	0.4
111.00896	100.0
112.01247	3.3
119.05039	2.7
127.00394	0.5
127.04027	0.7
129.01952	5.0
154.99886	14.4
156.00166	0.5
163.04060	2.1
167.91737	0.4
173.00928	30.5
173.04504	1.7
174.01262	1.2
176.03549	0.7
191.05632	46.9
192.06035	2.4
222.68358	0.4
223.81218	0.4
249.11693	0.6
275.98041	0.4
337.09229	1.6
337.13327	1.3
337.18777	0.6
352.61591	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0697
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	2.0
61.98829	1.0
70.79555	0.7
70.79897	0.3
71.01387	0.5
85.02939	0.5
93.03458	4.8
99.00871	0.4
100.08992	0.3
111.00878	0.6
119.05064	0.7
121.02975	5.7
121.03855	0.2
137.02443	0.7
139.04028	100.0
140.04364	4.1
163.04007	0.9
164.07228	1.1
165.01996	0.4
173.04601	0.3
183.20135	0.3
191.05632	5.4
301.09280	21.9
302.09671	2.2
302.80966	0.3
318.07199	0.3
329.98782	0.4
337.15286	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.1351
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79633	0.9
58.02990	1.1
58.48298	1.0
59.01377	7.8
60.27060	1.0
61.98831	100.0
68.30866	0.8
71.01408	1.4
71.06601	2.2
71.06940	1.0
72.69682	0.9
78.95908	2.0
79.14078	0.8
82.19473	0.8
97.14848	1.2
102.05612	0.8
115.87653	1.0
128.03581	1.1
133.02966	2.5
141.17499	1.1
143.04631	3.0
146.04596	2.5
152.99623	1.3
165.13007	1.0
207.13858	1.8
222.46695	0.9
225.14912	0.9
234.05376	1.4
235.05643	2.0
269.13922	18.9
270.14212	2.1
288.32138	0.9
333.06064	1.9
333.13455	1.2
333.17868	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	333.1093
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28493	0.2
56.65546	0.2
59.01362	0.6
66.51794	0.3
71.01382	0.3
71.32381	0.4
71.32713	0.4
78.03487	0.6
78.95898	0.5
80.05055	0.4
92.05074	1.5
94.06624	4.2
103.04314	0.4
104.05062	2.8
105.03458	2.7
106.06632	12.1
107.03757	0.8
107.06965	0.6
108.04564	1.6
110.02496	0.3
110.06168	0.3
116.30851	0.3
120.04576	6.0
121.05402	1.4
122.02496	0.5
122.06142	14.4
123.03288	1.7
123.06483	0.5
124.07671	1.1
131.03755	1.0
132.04568	8.6
135.03242	0.5
136.04089	0.5
138.05626	23.4
139.05923	0.8
140.07179	0.6
148.04044	1.0
150.05600	2.8
152.99605	0.4
164.03598	0.3
164.27190	0.3
166.05109	0.7
172.07716	0.4
173.08479	0.3
174.12900	0.8
184.11334	0.4
188.07164	0.4
189.08017	1.5
197.07231	0.5
198.07953	0.3
200.05920	0.4
202.08707	0.4
202.12285	0.4
203.09468	0.3
213.06625	0.6
215.11873	1.5
217.07391	1.4
227.11966	0.3
228.08861	0.4
229.09717	0.6
231.08987	0.8
231.11378	1.0
241.06125	0.4
241.09796	2.3
242.10400	0.3
243.11414	1.5
246.11110	0.3
259.10901	0.8
271.10904	1.0
289.11926	100.0
290.12259	9.4
301.02374	0.3
333.10892	10.3
333.14780	0.6
334.11264	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.07
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73824	3.2
59.01109	4.6
59.01380	54.9
61.98828	45.7
70.32082	14.3
71.01388	24.4
73.02917	3.5
78.95906	26.1
85.01266	2.9
88.04041	12.7
89.02461	6.0
93.03488	5.4
96.96983	8.3
99.00841	5.0
101.02444	4.6
115.00384	13.4
116.05048	4.7
117.01921	4.3
117.36428	3.4
121.02960	7.0
127.07699	6.4
134.06160	24.6
136.04066	6.5
137.02455	12.3
150.97781	3.2
152.99588	11.3
153.99973	5.7
160.89314	3.8
167.35158	3.5
172.97586	4.1
178.05110	100.0
179.05434	5.3
189.96782	4.8
210.97232	4.3
217.96243	6.2
218.09648	20.0
219.08073	12.5
231.26553	3.7
241.01273	5.6
242.01596	10.3
266.65741	4.7
290.11816	5.2
298.09384	7.3
334.06674	57.1
334.10803	25.6
335.06308	6.9
335.36957	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	334.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35577	1.6
59.01383	2.9
61.98830	100.0
70.72308	1.4
71.29861	3.6
86.76715	1.5
92.47867	1.4
102.60674	1.5
142.18918	1.3
178.01616	1.4
339.09152	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	335.125
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79430	0.4
56.16009	0.5
59.01386	1.9
69.54421	3.6
75.00902	0.4
77.16064	0.4
80.05064	5.1
83.01388	0.9
89.42918	0.4
92.05080	1.3
94.03014	0.6
94.06635	13.3
96.08176	0.5
97.01703	0.8
99.00900	1.0
107.03779	1.2
108.04568	15.6
110.06128	2.0
111.04524	0.6
117.13221	0.4
120.04569	8.8
120.05385	0.8
122.02490	7.3
122.06143	3.8
124.04086	1.2
124.07700	5.7
136.04063	2.7
136.07683	0.5
137.04901	0.7
138.05620	7.9
148.04068	5.7
150.05635	6.9
152.07184	0.9
154.05075	0.8
165.04343	0.6
166.05110	91.5
167.05460	4.1
171.10313	0.6
180.03011	0.9
182.04636	2.3
193.03842	0.6
194.04608	5.1
200.09512	0.5
203.12778	0.4
205.08945	0.5
210.04083	100.0
211.04422	4.8
215.11848	3.3
227.11914	0.7
229.13440	0.9
240.08994	0.7
273.12436	1.6
289.11917	0.8
291.12717	1.5
300.19318	0.6
317.11383	2.5
335.12454	27.1
336.12869	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	335.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
54.76702	0.4
57.03453	0.4
59.01379	100.0
60.01707	1.1
67.60593	0.4
70.10400	0.7
70.10815	1.3
71.01385	15.5
73.02939	1.0
78.31798	0.4
83.01381	0.5
83.71616	0.4
84.37315	0.3
85.02966	2.0
89.02480	1.4
89.23154	0.4
93.03435	0.6
97.02978	0.5
99.00830	0.5
101.02464	3.9
108.17368	0.4
111.04527	0.4
113.02483	1.5
117.97085	0.4
119.03516	2.8
139.04004	0.6
142.73163	0.4
161.04643	0.8
173.08192	0.9
175.12445	0.4
227.05486	0.4
275.11462	0.7
335.13397	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2488
Annotation	9,10,18-Trihydroxyoctadecanoic acid
Peak:m/z	Relative Intensity
57.03452	0.1
58.00607	0.3
59.01371	0.5
61.98824	0.2
69.67728	0.1
70.47458	0.1
71.24829	0.3
71.25173	0.1
71.71799	0.1
88.04046	0.2
95.90318	0.1
97.06617	0.1
106.40829	0.1
125.09716	1.0
127.11304	6.6
128.11658	0.3
131.04634	0.2
132.03032	0.6
133.02985	0.2
137.09756	0.2
139.11317	0.3
141.12860	0.2
143.10789	0.9
153.09221	0.2
155.10794	1.8
157.12357	3.9
158.12764	0.2
165.09161	0.3
169.07545	0.1
171.10268	2.4
185.11865	0.4
187.13414	1.1
199.09763	0.2
201.11334	1.3
202.11638	0.1
234.05284	0.2
240.27599	0.1
249.22298	0.1
255.23308	0.3
267.23358	0.1
277.21515	0.1
285.24374	0.2
295.22751	1.3
296.23352	0.1
311.22375	0.9
313.23859	7.2
314.24100	0.7
327.21655	0.3
329.23300	3.8
330.23639	0.6
331.24884	100.0
332.25223	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	331.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69563	0.6
56.44461	0.5
57.03447	0.9
59.01378	100.0
60.09800	0.6
61.98829	1.1
65.49852	0.7
71.01393	8.9
71.69738	0.8
73.02956	2.8
73.89901	0.6
83.01405	1.3
85.02946	3.6
88.04128	0.6
89.86887	0.6
99.00896	1.3
101.02457	5.6
105.03491	0.9
113.02477	2.4
120.99724	1.1
133.02975	9.1
148.05399	1.7
161.04594	2.9
177.02002	2.6
197.91353	0.6
199.59004	0.7
234.05342	7.5
235.05846	0.7
289.16663	1.8
331.11844	0.9
331.15894	1.4
331.25070	1.4
335.78653	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1891
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52001	0.4
59.01378	24.8
61.98793	0.4
62.38685	0.5
69.56097	0.9
69.56506	3.1
71.01332	0.4
78.14004	0.4
79.99963	0.4
83.05032	0.6
93.67848	0.4
98.19901	0.9
99.92580	0.6
152.99643	0.8
161.33191	0.5
167.98521	0.5
177.16533	0.4
177.55560	0.4
203.81544	0.4
231.17467	1.1
249.18576	100.0
250.18938	9.3
331.18906	20.0
331.22943	1.0
332.19244	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.2333
Annotation	9,10-Dihydroxy-12,13-epoxyoctadecanoate
Peak:m/z	Relative Intensity
57.03443	0.8
58.00595	1.1
59.01377	2.5
59.22860	0.3
61.98818	0.5
71.01386	0.4
71.27302	0.3
71.27645	0.5
73.02943	0.6
90.68618	0.2
97.06617	0.3
97.69321	0.3
121.10292	0.4
123.08178	0.3
125.09740	4.9
127.11305	7.9
128.11644	0.6
137.09735	1.3
139.11295	1.1
153.09181	0.3
155.10803	3.0
157.12309	0.5
165.09222	3.1
171.10280	8.1
172.10619	0.5
183.10243	1.0
193.05061	0.3
199.09731	2.2
201.11330	49.4
202.11725	2.4
203.07149	0.6
211.13515	0.5
229.14394	0.3
240.47276	0.3
275.20218	1.0
293.21188	3.2
311.22253	3.3
329.23315	100.0
330.23657	10.4
330.27640	0.4
338.96814	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.138
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99602	3.2
59.01109	0.2
59.01377	3.1
61.98798	0.4
63.15736	0.2
65.14625	0.2
70.91651	0.7
71.01360	1.1
71.99082	0.5
73.01173	2.2
73.02919	0.3
74.00694	3.9
74.02475	0.4
74.99082	0.7
85.02947	0.4
86.02453	0.4
87.00893	0.3
89.02428	0.4
94.54874	0.2
95.03799	0.2
101.00642	0.3
101.02435	0.4
102.15498	0.2
102.98604	12.8
105.75372	0.3
113.02468	0.3
116.05026	0.6
120.01255	0.3
120.99670	11.6
124.07636	0.4
127.35645	0.2
129.03839	0.4
133.02959	1.8
139.11266	1.2
143.08954	1.0
144.04572	1.2
160.05217	0.4
162.05637	1.7
163.11308	0.7
177.01910	0.6
181.12331	0.5
183.10277	1.3
197.10086	3.7
198.10358	0.3
199.13332	0.3
209.11862	0.3
211.13393	5.1
212.13776	0.6
234.05284	1.7
241.09041	0.3
241.13490	0.3
243.10571	100.0
244.10912	7.5
247.96371	0.2
248.42700	0.2
251.68234	0.3
269.12994	0.4
286.15024	1.6
287.13895	2.0
301.17291	0.3
302.03366	0.3
330.13812	10.9
331.04858	0.2
331.14310	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	331.1221
Annotation	Unknow
Peak:m/z	Relative Intensity
56.26539	0.2
56.98036	0.3
58.99606	3.6
59.01376	0.4
64.44969	0.3
69.49776	1.5
69.50212	1.1
73.01173	2.8
74.99102	18.1
77.36729	0.2
98.46781	0.2
102.98608	16.0
105.03450	0.4
120.99674	2.8
122.99228	0.3
129.03798	0.6
133.02972	2.6
135.04536	0.8
143.08990	1.2
148.05292	0.3
148.42470	0.3
157.03275	0.3
177.01920	0.9
179.03532	0.5
197.10075	5.0
209.11771	0.3
211.13388	2.2
234.05246	1.9
235.05553	0.3
243.10588	100.0
244.10921	7.7
284.32007	0.3
313.10986	0.3
331.12195	21.8
332.12549	2.5
337.95074	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1606
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07800	1.0
54.77706	0.8
55.01878	11.8
57.03456	1.4
59.01376	18.1
61.98815	2.7
69.03445	1.1
70.42287	3.4
71.01382	8.0
71.06733	1.0
72.99315	2.5
73.02940	2.1
73.97541	0.8
75.63814	0.8
81.03537	1.0
83.01387	16.6
85.02975	1.9
87.00890	1.8
93.03459	1.3
98.86794	1.0
99.00872	5.7
99.08161	1.6
101.02432	2.0
102.05620	20.2
107.05054	6.3
111.00903	1.7
113.30026	0.8
115.00392	1.1
115.49782	0.9
117.03511	1.6
118.05105	2.4
121.02985	1.1
124.98814	8.5
125.51936	1.0
127.00352	4.3
127.11280	2.2
133.03030	2.0
134.03748	4.6
135.04549	22.3
136.04880	1.4
137.02484	1.0
139.11293	3.0
142.99849	11.0
145.02986	7.6
149.06096	1.4
152.98303	2.7
154.99879	100.0
156.00191	3.0
160.01657	1.2
161.04677	1.2
165.12776	0.9
167.03549	0.9
167.14433	3.3
171.10303	7.2
173.00923	97.9
174.01271	3.0
176.04037	1.9
179.14383	1.0
181.15976	3.4
183.13927	2.1
185.15491	0.9
191.05620	3.2
193.05106	5.8
201.11339	1.3
209.15503	2.9
211.13406	13.1
223.16998	0.8
229.14470	4.6
232.75002	0.9
251.12866	4.0
259.03680	0.9
281.13947	11.5
282.14401	1.4
299.15005	11.4
300.15454	1.0
309.20804	1.6
324.29483	0.9
329.16354	36.4
329.23297	42.8
330.16272	3.4
330.23663	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.2333
Annotation	9,12,13-TriHOME
Peak:m/z	Relative Intensity
57.03436	0.9
66.95210	0.3
69.03469	0.5
70.45988	1.2
79.42257	0.3
83.05010	0.3
85.02937	0.5
97.06592	0.7
99.07572	0.5
99.08170	4.7
123.08134	0.3
125.09713	1.6
127.11304	3.1
129.09248	0.4
139.11307	1.4
155.10782	0.4
155.14412	0.8
163.11273	0.3
165.12946	0.7
167.10782	0.5
167.14450	1.7
171.10262	5.3
175.53801	0.3
183.13916	6.3
184.14223	0.6
185.11758	0.5
193.12369	2.2
209.11867	1.7
211.13399	33.8
212.13789	2.0
229.14438	18.2
229.16779	0.5
230.14746	0.9
238.26514	0.3
241.13577	0.3
242.57790	0.3
293.21280	1.0
311.22238	0.6
329.23318	100.0
330.23663	11.9
340.22516	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.2332
Annotation	9,10,13-TriHOME
Peak:m/z	Relative Intensity
53.75870	0.4
57.03462	0.5
58.00565	0.5
59.01376	6.5
59.01657	0.7
64.12868	0.3
70.19676	1.6
96.59451	0.4
99.08170	0.6
121.10244	0.7
125.09735	3.9
127.11313	6.6
130.08731	0.4
137.09741	1.0
139.11304	5.4
153.09227	0.5
155.10773	3.4
156.11143	0.4
157.12352	0.6
165.09222	1.4
171.10280	36.3
172.10588	1.8
183.10304	0.9
185.11766	0.8
193.12129	0.4
199.09766	1.5
201.11333	22.8
202.11676	0.7
211.13335	1.7
213.11340	0.8
229.14357	0.8
275.20224	1.8
287.22324	1.7
293.21112	2.6
301.19858	0.4
311.22192	1.9
329.23322	100.0
330.23645	10.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.103
Annotation	2'-Hydroxymatteucinol
Peak:m/z	Relative Intensity
53.28493	0.2
55.63070	0.2
56.76046	0.2
59.01379	1.2
61.72872	0.2
61.98836	0.2
65.79284	0.2
69.44937	0.9
69.45364	0.9
72.90727	0.2
77.41821	0.2
79.84582	0.2
89.04012	0.4
91.05563	0.3
93.03466	1.9
95.05041	0.5
98.20721	0.3
105.03487	0.7
106.04257	4.5
107.05043	26.8
108.02185	0.8
108.05343	0.9
117.03477	1.3
120.99686	1.0
121.02982	0.6
123.04528	2.4
132.02194	1.6
133.02979	4.0
134.03763	21.3
135.04541	100.0
136.04871	4.2
137.02435	0.9
139.04031	0.3
147.04538	0.3
148.05307	1.0
149.06102	2.6
160.01675	5.3
161.02188	0.4
175.04031	2.3
176.04489	0.2
178.02710	3.5
179.03535	1.2
193.05066	25.9
194.05444	1.4
314.07803	0.3
329.10324	5.1
330.10635	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1242
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42292	0.3
57.03454	0.6
59.01378	100.0
60.01720	0.8
61.98831	0.9
63.15575	0.3
71.01382	4.2
71.70798	0.4
73.02937	2.0
74.02485	1.0
79.83012	0.4
83.01402	0.6
85.02941	1.9
87.00892	0.5
89.02457	0.5
89.17548	0.3
95.01384	0.5
96.96023	4.5
99.00899	0.8
101.02457	3.1
102.05661	0.5
113.02475	1.3
119.05050	3.4
123.04494	0.8
125.02510	0.4
130.08719	0.5
139.11324	1.0
160.04140	0.7
161.04568	4.0
163.04027	3.6
167.03510	2.3
181.12354	0.5
183.10309	0.8
191.03763	0.4
209.11874	1.5
213.12335	0.4
227.12988	0.9
240.12535	1.0
241.05330	0.5
243.03322	0.4
243.12289	3.2
243.14186	0.3
249.74258	0.3
269.10388	4.9
270.10754	0.7
291.08759	1.8
300.14554	0.6
329.08939	6.1
329.15793	0.4
330.09772	0.5
330.15607	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	329.1243
Annotation	Unknow
Peak:m/z	Relative Intensity
56.76215	0.5
57.03440	1.0
59.01378	89.8
60.01708	1.0
61.98831	1.2
71.01384	4.9
71.57248	0.8
73.02934	2.0
79.95744	1.2
80.96545	0.8
83.01381	0.9
85.02940	3.0
93.03485	1.3
96.96021	73.7
99.00903	0.8
101.02440	3.7
107.05028	0.5
113.02462	1.6
118.37885	0.5
125.02471	1.5
130.08723	2.8
130.35750	0.5
151.52995	0.5
160.05284	1.3
161.04568	3.7
161.05872	0.7
163.04150	0.8
175.07733	0.8
199.18073	0.5
213.09203	1.0
221.70348	0.6
241.00203	0.9
249.38947	0.6
269.10242	5.1
329.09113	100.0
330.09476	8.6
330.20395	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	329.0879
Annotation	1-O-Vanilloyl-beta-D-glucose
Peak:m/z	Relative Intensity
54.04367	0.9
55.01876	1.6
57.03434	1.3
58.00587	2.4
59.01379	79.0
60.01718	1.6
67.01892	1.3
68.28024	0.9
71.01385	42.1
71.01781	2.2
71.26480	1.6
72.01720	1.3
72.99313	4.3
73.02937	1.0
83.01402	1.2
84.72202	0.9
85.02959	9.0
87.00874	1.6
89.02452	33.0
91.01897	2.2
95.01395	3.8
101.02448	23.1
107.01399	1.5
108.02184	5.3
109.02961	2.6
111.00883	1.6
111.17892	0.9
113.02450	15.8
119.03522	10.1
123.00891	1.9
123.04520	13.7
125.02457	2.9
136.56837	0.9
143.03534	1.7
150.03186	1.4
151.00427	4.8
152.01178	10.6
165.01909	1.2
165.05615	1.4
166.02760	6.5
167.03511	68.0
168.03874	2.8
181.05099	11.8
183.32147	0.8
194.02238	3.8
209.04559	39.6
209.31145	0.9
210.04875	2.6
212.80684	1.0
216.47942	0.9
239.05617	4.1
269.06613	9.4
293.12384	1.1
314.06247	1.3
329.08780	100.0
330.09116	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	329.0879
Annotation	Phaseoloidin
Peak:m/z	Relative Intensity
59.01384	2.2
61.98834	0.5
62.11500	0.3
62.25824	0.3
71.01379	2.0
71.32612	0.7
73.02953	0.8
73.53931	0.3
75.00880	0.3
78.51486	0.3
79.05534	7.6
80.05832	0.3
81.03459	6.0
85.02972	1.1
88.04076	0.4
89.02435	0.3
101.02455	0.7
105.03462	2.3
107.05067	0.4
108.02184	1.2
111.46549	0.3
113.02463	0.3
122.03738	0.8
123.04538	100.0
124.04876	4.3
135.04533	0.3
147.04573	0.4
149.02461	17.5
150.02769	0.7
152.01169	1.0
165.04248	0.3
165.05597	1.1
166.02708	0.9
167.03510	18.2
168.03851	0.9
191.03520	0.9
192.48204	0.4
209.04559	1.2
292.49423	0.3
295.02264	0.3
329.08774	64.9
330.09109	4.9
350.20630	0.3
352.34036	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
56.34962	1.5
57.03448	3.2
58.02972	27.5
59.01376	7.6
59.52160	1.3
61.98824	1.7
69.03454	3.7
69.36739	12.9
70.02983	2.9
71.01377	5.9
72.00906	2.9
72.99296	1.4
73.02970	1.3
74.02474	2.2
81.02978	1.3
83.01381	1.7
83.05023	2.8
85.02960	11.2
96.00937	2.4
97.02954	1.9
97.06576	3.4
98.20700	2.9
102.05620	4.0
109.02955	1.5
112.98837	2.4
113.02483	1.5
118.05110	8.3
127.11276	3.2
134.03720	1.4
137.09718	3.0
142.99875	4.0
145.09842	5.9
154.99857	1.2
165.12962	1.5
171.10266	23.9
173.00977	2.8
174.01738	21.0
183.01328	1.6
183.13913	3.8
185.11848	2.8
193.12447	1.8
193.98566	1.8
194.99396	2.2
197.11809	1.5
201.11432	2.2
208.20740	4.2
209.11826	3.1
211.13390	15.4
221.11842	3.3
229.14391	9.1
234.18576	3.8
239.12927	1.6
251.21259	39.0
252.21727	1.7
284.22372	2.5
291.19653	3.9
295.20215	3.0
308.65891	1.7
327.21832	100.0
327.26376	6.1
328.22000	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	328.1249
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	15.4
61.98830	100.0
64.02456	0.9
65.70383	1.0
68.83033	0.8
70.32699	1.8
70.33057	4.2
70.76734	0.9
71.01385	5.7
73.02949	1.0
74.02483	1.3
75.10374	1.0
83.02534	2.3
84.00921	1.3
85.02930	1.3
89.02463	4.0
96.00942	1.8
98.02477	2.2
101.02475	2.4
113.02454	2.3
113.03581	2.1
114.05618	1.5
119.03454	1.2
119.05042	2.2
123.04525	5.2
124.04873	2.0
125.02435	1.2
127.05160	1.6
130.08768	8.8
133.74474	1.1
138.09239	2.5
148.04117	2.3
163.04044	1.3
165.05640	2.3
166.02771	1.7
166.05928	3.2
167.03502	6.5
181.04991	1.1
183.37842	1.0
193.63800	1.1
199.51552	1.2
209.04562	2.5
209.27977	1.0
232.17897	1.0
267.09811	15.2
284.12509	5.4
284.15799	2.0
293.12277	5.0
311.12573	1.6
328.10349	4.2
328.14944	1.1
328.18781	1.0
329.08725	11.0
329.18167	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0853
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98831	100.0
69.87766	0.9
69.88173	1.4
82.03923	0.4
90.24213	0.5
123.04557	1.1
134.04773	0.9
136.51265	0.4
167.03471	2.1
177.67624	0.4
190.94412	0.4
215.14136	0.4
329.08746	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0862
Annotation	Phaseoloidin
Peak:m/z	Relative Intensity
51.50398	0.7
51.90100	0.7
59.01374	1.4
60.39322	0.7
61.98831	99.7
69.61015	6.6
69.61413	1.3
71.01385	4.7
73.02953	2.3
75.00891	1.1
79.05531	8.5
81.03457	5.0
83.01414	0.8
85.02954	1.8
87.00880	5.6
95.09699	0.7
99.00877	1.9
101.02426	1.9
105.01955	2.7
105.03459	2.7
108.02182	7.3
111.00833	0.8
115.00385	1.2
117.01958	4.5
119.94645	1.0
122.03732	2.5
123.04539	100.0
124.04863	4.1
133.01456	1.9
135.92087	1.5
136.98651	0.9
142.99852	1.5
149.02454	14.7
149.04570	2.7
150.02754	1.4
152.01140	4.8
160.91228	0.8
166.02780	1.0
167.03511	37.5
168.03879	1.1
173.00911	4.3
225.91597	1.2
228.97546	3.0
252.96638	0.9
267.17862	0.9
270.02502	1.3
313.72220	0.9
329.08777	62.7
330.04642	2.4
330.09146	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	329.0878
Annotation	1-O-Vanilloyl-beta-D-glucose
Peak:m/z	Relative Intensity
51.54775	0.3
59.01372	1.8
59.11945	0.3
61.98809	0.4
69.87535	0.7
69.87962	1.5
71.01382	1.3
71.50356	0.3
73.02937	0.6
79.05544	1.6
80.02628	0.4
81.03461	2.0
85.02962	1.0
98.16900	0.3
98.20647	0.4
101.02430	0.5
105.03527	0.4
108.02184	52.0
109.02515	1.8
113.02465	0.5
123.04536	44.1
124.04845	2.1
149.02455	4.2
152.01166	36.1
153.01486	1.9
166.02687	0.4
167.03506	100.0
168.03848	4.8
177.21942	0.3
195.37003	0.4
209.04556	0.7
293.12363	0.4
304.54358	0.3
329.08771	15.7
330.09131	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2178
Annotation	9S,12R,13S-Trihydroxy-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
57.03436	2.0
59.01377	4.3
61.98815	1.4
69.03457	1.4
69.52830	4.7
71.01376	1.0
72.82708	0.4
73.02934	0.9
83.05034	2.0
84.02164	0.8
85.02956	8.5
91.63860	0.5
92.20445	0.4
95.05024	1.2
97.02954	0.9
97.06612	2.9
98.20636	0.6
107.05023	0.4
112.39066	0.4
112.98763	0.5
119.05100	0.6
124.88518	0.4
125.09709	1.2
127.11293	1.6
132.92897	0.5
134.03758	1.9
137.09718	2.2
139.11322	0.7
145.06221	0.7
149.84784	0.5
151.04054	2.7
155.10846	0.6
160.01653	1.7
160.07579	0.5
165.01988	0.6
165.12846	1.1
167.14404	1.0
171.08815	0.9
171.10292	18.0
172.10623	0.9
174.01689	1.1
175.04018	2.6
177.12918	0.7
183.01181	0.9
183.10255	0.5
183.13928	3.1
185.11877	0.8
193.05173	0.7
193.12299	2.3
194.99303	0.7
197.11742	0.6
201.11327	2.1
209.11868	1.6
211.11487	1.0
211.13399	14.6
212.13725	1.2
221.09999	0.5
221.11842	3.0
221.15376	0.7
225.14964	1.1
229.14438	8.8
230.14746	0.7
239.12871	1.7
283.09723	1.3
291.19611	2.5
309.20535	1.2
317.67212	0.5
327.08710	1.7
327.21759	100.0
328.22119	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	327.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55925	0.3
57.03452	0.6
67.13909	0.3
70.91827	0.8
70.92187	0.4
85.02957	1.5
97.06610	2.1
110.03750	0.3
125.09784	0.5
127.11268	0.9
134.85631	0.3
137.60025	0.3
155.10773	0.6
161.45398	0.3
163.11353	0.3
167.14401	0.6
171.10278	3.5
177.12762	0.5
183.13937	1.9
185.11786	0.6
193.05026	0.3
193.12263	0.4
209.11830	0.7
211.13394	10.5
211.15427	0.6
212.13704	0.4
221.11807	1.3
226.63483	0.3
229.14436	7.5
230.14743	0.3
239.12898	1.0
249.83339	0.3
252.39113	0.3
291.19669	1.7
309.20682	0.6
327.21750	100.0
328.22083	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	327.2177
Annotation	9S,12R,13S-Trihydroxy-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
50.85266	0.5
54.81282	0.5
57.03450	1.3
58.00572	0.6
59.01372	2.4
66.68739	0.5
67.70300	0.5
69.03432	1.4
71.01382	1.2
71.05017	1.2
71.07592	1.1
71.07929	0.6
73.02955	2.7
83.05053	0.6
83.70961	0.5
85.02950	1.6
90.55219	0.6
96.21486	0.6
97.06586	1.8
98.03726	1.3
99.08177	1.7
102.05637	0.6
112.05318	0.9
113.09721	0.9
115.07656	2.7
118.05110	1.2
125.09727	1.5
127.07667	5.0
127.11302	1.4
129.09233	25.9
130.09576	0.9
137.09749	0.9
141.09238	10.9
141.12889	1.7
155.10799	15.1
155.14343	0.5
163.11310	1.5
165.12891	1.6
169.11455	0.5
171.10300	15.7
172.10577	0.8
173.08098	1.2
181.12363	0.8
183.13887	0.8
185.11856	42.0
186.12212	3.0
193.15979	0.6
197.11848	34.1
198.12180	1.4
198.13918	0.5
199.08427	0.5
201.11334	0.7
209.11859	6.3
210.12059	0.7
211.13406	2.2
227.12677	0.6
229.14444	1.6
247.20692	1.0
291.19669	10.6
292.19891	0.6
309.20691	24.1
310.21091	2.7
327.21765	100.0
328.22070	11.1
345.01291	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1451
Annotation	Rhododendrin
Peak:m/z	Relative Intensity
52.34783	0.4
55.01881	3.0
57.03444	3.3
58.00579	1.4
59.01381	21.9
59.06605	0.5
61.05187	0.5
61.98835	1.1
69.66902	1.1
69.67314	2.8
71.01386	28.0
72.99309	2.0
73.02954	10.5
75.00872	1.4
79.95704	0.5
83.01390	7.4
85.02963	17.4
86.00111	2.1
87.00884	1.6
89.02452	4.4
93.03433	0.6
95.01406	2.3
96.96028	5.6
97.02964	0.5
98.19910	1.0
99.00882	6.1
101.02455	25.0
106.04257	3.0
111.00900	1.5
111.04540	0.6
113.02476	9.2
119.03517	1.9
119.05053	8.9
120.05374	0.6
121.06609	1.6
135.04510	0.6
143.03583	0.7
145.02972	0.9
149.02493	1.1
159.02994	1.6
161.04604	3.9
163.04015	8.6
165.05556	2.7
165.09230	73.2
166.09576	4.1
168.77733	0.5
174.11386	0.6
181.08643	0.8
291.08728	4.2
327.07791	4.5
327.14511	100.0
328.14780	11.2
328.18411	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62938	0.5
57.03443	1.7
57.69642	0.5
58.00600	1.4
59.01369	4.3
61.33871	0.6
61.98815	1.0
65.06363	0.6
67.81707	0.5
69.03455	0.7
70.81647	1.7
71.01366	1.7
71.05006	0.9
73.02969	1.2
74.02479	0.9
81.41179	0.6
85.02957	0.6
96.96015	1.0
97.06622	1.0
98.05455	0.7
101.02476	0.7
107.08669	2.6
119.08686	0.9
125.09735	6.2
127.05130	1.1
127.11306	8.1
137.09764	1.9
139.11290	0.7
145.06215	4.9
155.10789	2.9
157.12321	0.8
159.12361	0.6
165.09270	2.9
171.10287	10.6
174.01640	1.4
183.10300	1.3
183.14047	0.7
194.99277	0.8
199.09763	2.2
201.11336	68.8
202.11668	4.5
229.14517	0.9
229.19598	0.8
257.37320	0.6
261.18591	1.4
267.10828	0.8
273.18549	1.5
291.19736	2.8
296.05573	1.0
297.20752	2.4
309.20685	3.7
327.21762	100.0
328.05627	0.9
328.22134	12.1
331.09442	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2176
Annotation	2,3-Dinor-8-iso prostaglandin F1alpha
Peak:m/z	Relative Intensity
57.03438	1.3
59.01363	2.6
62.17817	0.7
69.03453	4.4
70.02917	0.8
71.01373	1.8
71.24132	1.7
83.05058	0.9
83.80082	0.7
85.02972	2.7
97.06631	1.2
102.05634	1.0
107.08713	0.9
108.05800	1.0
119.08654	7.8
125.09743	4.2
127.11313	3.6
132.03035	2.2
135.08170	2.3
137.09740	27.5
138.10045	1.1
165.09178	0.8
171.10278	100.0
172.10605	4.5
174.01796	0.8
183.13913	1.5
185.11830	3.5
197.11787	1.8
201.11325	20.4
202.11769	1.3
209.11803	2.1
210.12357	0.8
211.13431	4.4
213.11281	3.9
219.27039	0.7
221.11946	1.0
229.14417	2.5
237.93982	0.7
239.12982	1.5
239.16502	1.2
260.33887	0.8
273.18573	2.1
277.59409	0.9
291.19711	6.0
309.20670	8.9
310.21198	1.7
327.21771	97.6
328.22134	10.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1086
Annotation	Paeonoside
Peak:m/z	Relative Intensity
52.80576	0.3
54.00222	0.2
55.01878	0.2
57.03448	2.6
58.03777	0.4
59.01379	14.6
59.03862	0.3
60.01707	0.2
60.80716	0.3
65.84745	0.2
71.01389	2.1
73.02967	0.5
85.02962	0.9
89.02460	0.4
89.11725	0.2
93.03463	5.8
98.20650	0.6
99.00890	0.3
101.02460	1.1
102.36464	0.3
107.05072	0.3
111.10232	0.2
113.02470	0.9
114.05603	0.4
119.05045	5.2
120.05383	2.1
121.05652	1.2
121.06595	6.5
121.07448	0.5
147.04576	0.7
149.02435	0.3
151.73700	0.2
161.04617	0.6
163.04010	3.5
163.07706	1.5
164.04338	1.9
164.08028	0.9
165.05594	100.0
166.05920	5.5
192.15817	0.2
207.06586	0.2
327.10794	4.2
328.11191	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1085
Annotation	Androsin
Peak:m/z	Relative Intensity
56.28245	0.2
57.03439	0.7
59.01375	9.6
61.98820	0.4
71.01385	4.2
71.29626	0.4
71.29953	0.3
73.02946	5.0
79.05535	3.7
81.03457	0.6
83.01409	1.4
83.01854	0.2
83.45701	0.2
83.89558	0.2
84.91372	0.3
85.02938	0.5
89.02454	0.8
93.25507	0.3
96.96030	0.4
99.00864	0.4
101.02457	3.9
104.03552	0.3
105.03460	4.4
113.02448	1.3
119.03526	0.3
121.02966	0.6
121.06606	3.7
123.04538	15.1
124.04871	0.7
131.03508	0.4
135.04535	0.4
143.03520	0.5
147.03369	0.3
147.04524	0.9
147.51714	0.3
149.02461	13.3
149.04436	0.6
149.06009	0.3
149.79521	0.2
150.02731	0.5
161.04558	0.8
163.07689	0.5
164.04834	0.6
165.05582	100.0
166.05934	5.0
167.03519	1.1
189.05582	0.4
207.06659	1.1
213.88744	0.3
226.15625	0.3
289.06757	0.3
312.09955	0.7
327.07941	0.3
327.12238	0.9
334.10043	0.3
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
53.56012	0.3
57.03441	1.5
59.01377	11.5
61.98826	1.2
71.01385	0.5
71.61142	0.3
71.61561	0.5
73.02944	0.6
74.02476	100.0
75.02816	1.2
78.95918	2.0
83.01381	0.6
83.05053	0.5
93.03532	0.3
97.06577	0.4
98.13669	0.4
99.00858	0.5
99.04522	0.5
109.06593	1.3
112.07668	0.8
120.99677	1.4
121.06596	1.3
127.00421	0.9
134.04706	3.4
135.04535	1.2
139.93506	0.5
151.39526	0.3
154.06221	1.2
171.00618	1.8
179.03525	0.9
179.47621	0.4
185.11824	0.6
189.12865	2.1
191.05510	0.5
191.10780	0.8
205.05052	1.0
207.13904	6.4
208.14288	0.6
209.11748	0.6
234.99908	0.3
246.15178	0.4
251.12914	2.0
264.15958	4.1
266.13959	12.1
267.06522	0.5
267.14359	0.9
268.06927	0.7
271.02472	0.6
290.13901	0.8
295.05783	0.4
296.06464	2.0
297.06918	0.4
308.15045	5.8
309.15372	0.7
311.08774	1.6
322.04651	0.4
326.11371	3.1
326.16083	61.2
327.16464	6.0
327.21906	0.8
340.29218	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.0874
Annotation	CHEBI:69486
Peak:m/z	Relative Intensity
54.55349	0.7
57.03443	3.8
57.14471	0.9
58.39038	0.8
59.01378	6.0
59.76484	0.8
61.98830	7.8
69.03455	2.7
71.01382	3.0
71.05027	0.8
71.27924	1.3
77.68630	0.8
79.61747	0.8
83.05036	1.0
84.02183	1.0
85.02960	9.3
89.02483	1.1
89.03979	1.6
93.03466	6.4
95.01424	1.0
95.05038	2.3
97.06618	4.1
99.00906	1.4
101.02505	1.4
102.05632	1.3
102.77773	1.0
107.05058	5.6
108.02188	6.4
112.98890	1.4
117.03471	6.3
119.05019	1.0
121.02946	2.7
123.04536	10.8
125.09698	2.0
127.11279	1.7
128.03540	1.1
131.05119	1.2
132.02188	8.6
133.03006	8.0
134.03763	64.2
135.04112	2.5
136.01695	1.0
137.02425	2.3
137.09743	2.2
145.06236	2.0
146.04613	3.1
147.04565	2.3
148.01649	1.0
148.05336	4.0
149.02475	5.1
149.06058	4.7
151.04034	60.2
152.04369	2.2
153.12883	1.4
155.10724	1.4
159.04466	0.9
160.01674	43.7
161.02519	6.7
165.05585	1.6
165.12852	1.7
167.14314	0.9
171.10280	20.5
172.10648	0.8
174.01707	8.2
175.04013	76.5
176.04332	5.9
176.46602	0.9
177.01942	1.7
178.02678	2.5
183.13896	5.8
185.11754	1.3
193.05069	28.9
193.12379	1.1
193.21948	0.8
194.05307	1.1
197.11868	1.1
198.69412	0.8
201.11212	1.6
209.11810	2.2
209.15440	2.0
211.13388	16.3
219.16336	0.9
221.11853	2.3
224.52495	1.2
229.14467	9.0
239.12885	2.0
268.07394	2.8
272.74380	0.8
283.09760	18.5
283.15485	3.0
283.18930	1.1
284.10059	1.4
291.19717	2.7
309.20493	1.2
312.06625	1.4
327.08789	36.7
327.12854	2.4
327.21771	100.0
328.09158	2.7
328.22061	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	327.1087
Annotation	Androsin
Peak:m/z	Relative Intensity
51.38411	0.6
53.31641	0.5
54.06438	0.5
55.01850	0.5
55.40362	0.6
56.13655	0.6
57.03439	0.7
58.00581	1.8
59.01377	38.2
61.98829	5.4
70.73680	1.4
71.01385	20.6
71.01786	1.2
72.99322	3.9
73.02952	0.8
78.95899	0.8
79.86695	0.7
83.01388	1.6
83.71071	0.6
85.02959	4.4
87.00885	1.0
89.02454	16.3
93.03522	0.8
95.01397	1.6
101.02455	13.8
113.02464	6.3
119.03519	7.7
119.05017	3.9
123.04558	0.6
128.12376	0.7
131.03543	0.6
134.04765	0.6
137.02385	1.0
143.03539	1.2
147.04541	100.0
148.04886	4.9
149.02495	1.4
149.06036	0.8
161.06158	0.9
165.01918	2.3
165.05589	15.1
170.97888	0.6
179.05612	1.5
207.06636	0.6
208.46848	0.6
327.10846	74.4
328.11124	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	325.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	1.1
58.95103	0.5
59.01382	2.3
69.03453	1.0
71.01385	2.7
71.05017	1.2
71.42332	0.8
72.02180	0.9
73.02951	0.4
80.02684	2.2
81.03459	1.9
83.05026	7.3
83.70996	0.4
84.02172	4.1
85.02952	0.5
95.05050	2.0
97.02950	0.9
97.06601	2.2
98.03725	0.6
99.08172	1.8
109.06606	1.1
111.08167	0.5
115.07646	1.7
121.06626	0.5
123.08209	0.7
125.06077	0.6
125.09735	2.0
127.07669	9.3
134.04720	1.1
135.04530	0.4
135.08165	0.8
137.09741	0.9
139.07654	2.1
149.06157	0.5
153.12854	0.4
155.10799	1.9
163.11311	6.8
165.12848	3.7
168.50124	0.5
171.10278	2.7
178.10007	1.6
181.12340	1.0
185.11847	11.0
191.10785	1.7
193.12337	1.1
197.11858	12.3
198.12125	1.0
205.16042	0.5
207.10257	1.0
209.11836	100.0
210.12177	8.3
211.13332	1.0
227.12886	6.6
228.13313	0.6
237.14915	0.6
238.12128	4.7
239.12311	0.5
239.16562	0.8
245.19136	1.3
249.15033	1.3
253.18031	0.5
256.13022	2.2
263.20264	0.6
279.19586	0.6
281.21219	0.5
289.18060	4.3
290.18448	0.6
307.19141	58.3
308.19489	7.3
312.89734	0.4
325.20187	27.9
326.20572	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	325.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02628	1.1
57.03449	8.7
59.01365	6.3
65.03952	2.1
65.37766	1.2
67.01892	1.6
69.03457	3.9
71.01382	1.5
71.05019	7.0
71.26729	2.3
78.95918	3.8
79.05526	2.5
80.02679	1.9
81.03459	4.0
83.05032	9.9
84.02184	2.0
85.02941	3.2
85.06598	4.0
89.27969	1.1
89.75302	1.2
93.03432	1.9
95.05045	8.2
96.96982	5.0
97.02938	3.3
97.06603	10.2
98.31950	1.1
106.04249	2.1
109.06599	5.2
111.04546	6.3
112.05357	1.5
115.07648	3.5
121.06582	2.8
123.04549	2.3
123.08179	6.4
124.05344	3.3
125.09731	6.2
127.11266	1.6
135.08189	7.6
137.09727	2.2
139.07751	1.4
153.09239	6.9
163.11317	6.1
165.12836	3.2
171.10280	38.7
177.12794	1.7
179.10852	1.5
181.12387	2.1
183.13791	1.7
185.11832	6.0
191.14363	2.8
193.12344	8.7
197.11809	1.6
199.13457	1.6
205.15953	2.8
207.10229	2.3
209.11819	36.0
210.12173	2.4
211.13391	9.9
221.11835	2.9
227.12869	4.2
231.13937	2.1
233.15636	1.5
235.13422	2.2
237.15076	4.2
239.10802	1.3
245.19072	6.7
249.14944	14.8
250.15024	1.8
267.15967	5.5
271.16983	1.3
287.22299	3.2
289.18124	15.2
290.18521	2.7
307.19150	14.2
325.20203	100.0
326.20483	11.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
56.10637	0.8
57.03453	1.2
58.00581	4.4
59.01377	9.1
61.98817	1.0
64.35882	1.0
64.94739	0.9
67.49111	0.9
69.03452	1.6
69.26065	10.6
71.01376	2.2
71.81134	1.0
73.02922	1.2
77.62932	0.9
81.03457	0.9
83.05034	2.0
84.02161	1.1
89.89071	1.0
95.04992	2.2
95.46560	0.8
97.06589	2.8
99.04524	1.2
99.08145	1.0
113.06088	2.8
115.07674	3.5
123.08214	1.4
125.09769	1.9
127.07643	5.7
134.04727	2.2
151.00337	2.9
151.11287	9.0
153.12894	6.6
154.06793	0.9
155.10846	0.9
155.14436	2.5
163.11334	1.2
165.12834	2.8
171.10252	2.3
171.13937	1.7
181.12326	2.8
183.01274	2.5
183.13881	1.9
191.10785	1.2
197.11827	11.0
199.13402	30.2
200.13704	1.4
201.11377	1.5
209.11841	6.9
211.13448	1.9
215.12920	13.7
223.08598	1.3
227.12886	100.0
228.13216	5.7
229.14432	33.1
230.14742	2.0
245.19049	2.5
263.20169	2.0
269.21216	1.4
281.98990	0.9
289.18106	3.9
297.20627	4.5
307.19156	18.4
308.19379	1.8
325.11224	2.0
325.15100	3.4
325.20206	9.4
326.20374	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	325.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29576	1.2
55.01879	1.2
57.03441	4.1
57.22314	1.1
58.00603	4.1
59.01376	19.1
61.98801	1.9
69.03454	2.8
71.01373	10.1
71.72431	1.6
72.99302	2.5
73.02950	3.0
81.03461	1.3
83.05028	2.7
84.02177	3.1
85.02995	1.6
87.60590	1.4
95.05020	4.0
97.06606	3.2
98.96365	1.3
99.18130	1.3
109.06603	5.2
111.08174	36.8
112.08482	1.4
119.05041	1.9
121.06525	1.8
123.08185	13.6
125.09764	9.0
127.07655	2.9
127.11327	6.9
134.04739	5.5
135.08163	8.6
137.09721	3.2
139.07658	1.6
139.11290	3.9
151.00378	1.8
151.11308	2.4
153.09224	10.0
153.12892	2.8
155.10808	8.7
157.12479	1.3
163.04037	2.2
163.11288	1.5
164.08484	1.4
165.09145	2.3
165.12822	1.5
167.10815	8.3
169.12355	6.5
171.10284	61.7
172.10687	2.4
181.12451	1.7
183.01222	3.5
183.10286	5.6
183.13791	1.5
185.11845	40.2
186.12193	3.1
191.14403	2.5
191.93097	1.4
195.10344	4.0
195.13879	1.3
197.11853	28.7
198.12181	1.5
199.13416	9.6
201.11328	60.0
202.11653	4.1
207.10373	1.8
209.11905	9.5
213.11322	15.5
215.03532	1.9
215.12894	5.4
225.11359	2.1
227.12885	36.6
228.13310	2.8
229.14365	4.0
245.19157	5.4
265.18063	2.3
289.18085	12.5
290.18408	1.7
307.19150	15.5
308.19421	1.5
325.15009	3.8
325.20221	100.0
326.20538	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	325.2021
Annotation	Albocycline M-6
Peak:m/z	Relative Intensity
51.10005	0.5
51.47109	0.5
53.18405	0.4
57.03452	6.1
58.00584	0.6
59.01374	7.0
61.98827	0.8
69.03450	1.7
71.01381	11.8
71.05023	6.9
71.05412	1.0
71.05768	0.4
81.03468	3.7
83.05038	6.9
84.02189	3.4
84.05343	0.5
85.02954	8.9
88.48713	0.5
93.03467	0.5
95.05051	3.0
97.02953	1.2
97.06602	33.9
98.06941	1.0
99.04549	1.4
101.06090	16.8
101.52599	0.4
103.73979	0.5
109.06592	1.4
110.03800	2.5
111.04477	0.5
111.08190	1.0
112.66872	0.5
113.06091	2.1
119.08654	0.6
121.06616	0.7
123.04475	0.9
123.08178	2.6
125.09738	8.0
131.14215	0.5
134.04744	1.4
135.08176	1.4
137.09732	5.3
139.11324	5.6
147.11847	0.8
153.09253	0.6
153.12912	0.9
154.65356	0.5
155.10809	0.5
160.81372	0.4
163.11331	3.0
165.12865	56.7
166.10124	0.5
166.13205	4.2
171.10263	2.7
172.57008	0.4
175.11317	2.1
179.10799	7.8
180.11522	1.0
181.12363	2.3
183.13919	21.5
184.14243	1.3
185.11870	0.8
193.12350	13.0
194.12686	0.9
197.11847	0.6
237.15019	0.8
245.19128	4.8
246.19574	0.5
263.20123	4.6
265.12903	0.7
289.18100	2.9
307.19125	2.0
325.20197	100.0
326.20508	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	325.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	6.8
58.00597	1.2
59.01379	9.7
66.27222	0.8
69.03445	4.6
69.34298	9.2
71.01380	3.4
71.05023	8.6
73.02936	2.0
73.24081	0.8
80.02676	2.1
81.03452	1.9
83.05026	4.8
84.02169	2.6
85.02983	2.1
85.06592	4.0
87.04505	3.6
91.05527	1.1
95.05029	2.0
95.80887	0.7
97.02950	5.0
97.06602	5.7
107.05038	2.6
109.06599	34.5
110.06926	1.0
111.04514	1.2
113.06075	1.1
115.07648	1.5
123.08157	0.8
125.06089	3.9
127.07652	3.0
129.12346	0.8
134.04730	1.6
151.11282	2.2
153.09224	1.0
153.12872	2.2
167.10793	1.3
169.12372	8.4
177.12811	0.8
179.10736	1.5
181.12364	5.5
183.13925	3.8
183.91829	0.8
187.65198	0.8
191.14413	1.0
193.12370	3.9
197.11832	61.7
198.12233	4.1
199.13390	5.6
209.11780	1.8
211.13396	37.1
212.13728	2.6
219.13907	1.5
221.11806	1.2
223.13338	1.0
227.12947	2.7
231.13808	1.0
235.13371	4.4
237.14867	5.6
239.12909	1.0
241.14590	1.0
249.15022	4.3
267.15997	1.7
289.18164	4.0
307.19247	4.4
325.20187	100.0
326.20541	10.8
328.17200	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1844
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22202	0.2
55.29748	0.2
59.01372	0.6
61.42582	0.2
61.98807	0.3
62.59443	0.2
69.25932	0.2
69.77380	0.3
69.77791	1.1
79.95710	1.3
107.67022	0.2
119.05037	1.2
145.01176	0.2
165.52679	0.2
170.00453	1.6
183.01215	49.2
184.01729	2.9
197.02742	1.1
211.04425	0.2
216.00952	1.2
225.05881	0.7
226.39117	0.2
230.02536	0.4
239.07446	0.7
240.29678	0.2
253.09003	0.4
284.98499	0.2
325.18411	100.0
326.18735	10.8
326.22794	0.4
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	Plakortenone
Peak:m/z	Relative Intensity
51.55234	1.6
52.98646	1.6
58.02967	17.8
59.01384	19.8
61.98833	2.6
62.93657	1.3
71.01383	9.5
79.36419	1.4
96.99327	2.0
97.06591	2.5
99.00884	3.5
100.84187	1.5
108.02103	1.6
110.21319	1.5
121.02966	2.6
122.03759	5.7
124.98834	8.9
134.04724	4.3
136.05377	1.7
139.11263	3.0
142.99886	19.1
151.00374	5.7
151.79884	1.5
163.06128	1.5
164.08435	1.8
167.14442	7.9
168.04359	1.4
183.01271	2.5
193.16000	3.6
195.17567	2.4
207.17537	6.0
209.19133	2.0
223.17085	15.3
225.18646	12.9
231.17590	2.1
233.15529	1.8
235.16927	1.9
249.18591	37.5
250.19037	3.1
253.18018	2.5
265.12808	2.8
275.16550	25.6
276.16776	3.2
281.21362	7.0
281.25983	4.2
282.24130	1.8
293.17590	100.0
293.20981	4.7
294.17862	8.9
307.19080	4.4
307.22748	1.8
325.07361	2.7
325.16565	19.1
325.20160	91.1
325.24103	15.0
326.20496	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	323.2227
Annotation	Dihydromonacolin L acid
Peak:m/z	Relative Intensity
53.29611	0.8
59.01373	11.8
61.98822	1.0
71.01368	1.6
71.05684	1.7
71.06017	1.5
73.02931	0.9
89.02437	1.4
94.41492	0.8
95.88336	0.8
101.02444	1.5
106.87988	0.9
113.02434	1.0
123.04562	2.0
137.06131	1.0
139.07700	0.9
139.11353	1.0
161.04590	1.2
165.09219	1.5
165.12825	1.3
193.12286	1.1
261.19116	0.9
261.22195	4.4
277.18088	4.2
305.21201	100.0
306.18185	0.9
306.21512	12.0
323.16943	5.2
323.22202	20.4
323.25922	1.8
324.22574	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	324.1087
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	2.0
61.98830	100.0
70.28431	1.6
103.88142	0.5
117.55512	0.5
137.09731	0.6
181.65785	0.5
197.64636	0.5
225.11171	0.5
292.20074	1.1
305.59393	0.5
306.21518	0.7
308.06995	0.5
324.22852	0.7
325.07150	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0927
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93712	0.3
53.28409	0.3
56.75108	0.3
58.16089	0.3
59.01389	0.2
59.23900	0.2
62.08672	0.2
69.95197	1.6
93.03471	0.3
119.05035	100.0
120.05364	5.3
133.31349	0.3
138.98676	0.3
163.04018	79.7
164.04353	4.9
297.55402	0.3
319.11679	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1864
Annotation	Hynapene A
Peak:m/z	Relative Intensity
51.99923	2.9
57.03449	20.3
59.01381	61.1
61.98821	11.5
67.04617	3.2
69.03466	4.1
70.71730	7.1
71.01381	10.0
71.01753	3.5
71.05035	24.8
73.02939	5.1
78.95935	4.8
81.03464	10.6
83.01397	12.6
83.05031	20.9
84.02183	8.4
85.02958	5.6
85.89652	2.8
85.90689	3.3
89.02445	6.0
93.03485	4.9
95.05037	48.7
97.02943	3.2
97.06606	7.6
99.04478	4.6
101.02425	4.2
101.06087	4.6
107.05023	3.9
109.06605	10.0
111.04514	3.8
113.02458	9.2
113.06098	41.3
114.01983	6.6
115.92130	3.8
116.92915	4.1
123.04530	6.3
123.08114	4.0
125.02456	3.1
125.06074	5.4
125.09744	23.9
135.08144	15.4
137.09798	3.4
149.09726	4.4
151.07672	7.6
153.09290	3.0
161.04593	5.1
162.03236	4.0
162.06912	7.8
163.11276	9.8
165.12831	6.6
167.10803	4.1
171.10269	13.8
175.89973	3.5
177.12859	5.3
181.12349	6.5
185.11925	15.2
189.12830	9.9
191.10809	6.0
195.13875	5.1
203.10667	3.1
203.14360	9.0
209.11827	100.0
211.13402	5.0
219.13832	4.3
221.08195	24.0
221.11835	3.7
225.88608	3.6
231.14006	6.1
237.11313	3.9
237.14978	70.2
238.04868	4.2
238.15225	8.2
239.41516	3.4
243.17557	11.6
247.13428	4.2
249.14973	3.3
259.09750	5.0
261.18716	4.8
265.14563	15.6
287.16611	28.8
291.12408	8.5
305.17621	42.2
306.17984	8.8
313.81012	3.4
323.05695	3.5
323.15021	22.8
323.18674	38.9
324.15326	3.9
324.18896	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	323.2228
Annotation	Dihydromonacolin L acid
Peak:m/z	Relative Intensity
59.01374	1.6
71.00877	0.7
71.01241	0.4
72.38584	0.3
72.40319	0.3
75.37564	0.4
83.62786	0.3
117.72099	0.3
123.04554	1.0
137.06113	0.9
137.09756	0.7
139.04001	0.4
139.07700	0.4
149.84259	0.4
156.04305	0.8
162.10538	0.4
162.17612	0.3
165.09210	1.5
165.12817	1.1
167.14487	0.6
179.10838	0.6
180.31798	0.3
189.12822	0.6
191.14525	0.4
193.12276	0.4
198.08948	0.4
207.13875	0.5
217.16008	0.8
225.14952	0.9
235.13480	0.7
261.22223	4.3
262.22485	0.3
279.23294	1.1
287.20197	0.8
305.21216	100.0
306.21548	11.6
323.22278	22.8
324.22607	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1499
Annotation	15-Acetoxyscirpen-3,4-diol
Peak:m/z	Relative Intensity
55.01874	0.5
59.01373	8.6
61.98814	0.7
70.13447	0.7
70.13855	2.1
71.01381	1.6
71.05052	0.7
83.05032	0.9
85.02982	0.8
95.05019	2.6
97.06581	0.6
101.02444	0.7
107.05038	2.8
112.29668	0.5
113.02460	0.6
113.06132	1.0
114.01945	0.5
122.03718	1.3
125.09752	1.1
130.08777	0.6
134.07414	4.7
136.05344	0.5
151.07689	0.9
161.02394	0.8
161.04712	0.9
161.06079	3.8
162.03252	9.9
162.06877	24.6
163.03555	0.6
163.07195	1.9
169.86180	0.7
171.10271	2.1
173.02336	2.4
177.05580	18.5
178.06174	1.7
183.96774	0.4
185.11729	0.6
191.03505	2.4
197.09949	0.6
199.07741	0.7
205.05023	2.9
206.05840	20.2
207.06186	1.7
209.11833	1.2
215.07231	1.1
215.10782	9.9
216.11061	1.1
217.05064	2.0
217.26103	0.4
221.08191	87.9
222.08517	7.3
229.08698	1.2
229.12300	1.6
238.04826	27.1
239.05164	1.8
241.08714	1.3
247.13396	5.3
259.09720	15.0
260.10120	1.9
261.11298	8.6
273.11310	4.4
274.11758	0.7
275.12961	1.6
285.20938	0.5
291.12381	32.3
292.12704	2.5
305.14005	4.0
305.17422	0.8
306.14200	0.6
310.07434	0.5
323.15005	100.0
323.18210	3.6
324.15347	10.5
324.18665	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1866
Annotation	Hynapene A
Peak:m/z	Relative Intensity
57.03445	10.6
57.98315	3.9
59.01379	80.6
61.98842	9.2
71.01383	12.3
71.05016	16.0
71.71458	8.4
73.02939	5.2
81.03461	8.8
83.01391	16.5
83.05026	10.4
83.33721	3.6
84.02166	3.5
85.02937	4.2
88.16528	3.3
89.02439	5.6
93.03477	6.3
95.05038	38.5
97.06592	17.2
101.02442	7.9
101.06113	5.1
105.39867	4.0
109.06604	7.8
111.04510	4.7
113.02469	6.2
113.06091	15.2
114.01994	5.5
116.55595	3.8
121.02899	4.0
121.48753	3.5
123.04542	7.0
123.08190	5.1
125.09756	27.2
130.08746	20.5
131.09082	11.2
135.08156	18.3
149.09744	6.1
151.11342	6.5
153.09206	6.9
161.04477	6.1
163.11223	9.4
167.10812	5.5
171.10313	8.7
179.10764	4.8
185.11809	19.8
191.10829	7.7
203.14359	7.5
207.10132	4.5
209.11841	100.0
210.12128	7.5
211.84106	4.7
223.13440	7.5
237.14992	6.8
243.17642	5.9
247.13425	9.7
265.14383	29.2
287.16577	11.4
305.17587	21.7
323.09488	5.5
323.15042	8.3
323.18442	56.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.0618
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	1.5
58.00594	1.3
59.01375	31.5
59.95321	1.0
61.98832	3.7
68.99566	1.7
69.94510	2.3
69.94923	4.3
70.01798	1.0
71.01392	14.1
72.54831	1.0
72.99316	2.1
73.02947	43.7
78.95911	20.2
78.96334	1.8
85.02961	3.0
87.00887	2.9
89.02453	11.0
96.96973	8.3
99.00884	7.9
99.04530	2.0
101.02464	8.9
104.65491	0.9
111.02003	4.2
112.98642	1.0
113.02460	4.7
114.01979	26.8
115.00384	3.0
117.01953	100.0
118.02278	2.4
119.03519	4.6
130.08723	2.7
133.05113	1.2
142.43736	1.1
143.03493	1.8
145.01399	1.5
154.97519	1.2
161.04555	5.2
174.04074	7.6
179.05595	2.1
211.00105	7.3
263.06689	3.1
323.02975	7.0
323.08875	11.9
323.13385	19.0
324.09320	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	323.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12065	0.5
52.62468	0.5
54.78564	0.6
55.01859	0.7
57.03436	0.7
58.00601	3.3
59.01377	83.0
67.53040	0.6
70.67856	0.5
70.99386	1.1
70.99742	0.8
71.01380	38.3
71.05009	0.6
72.01729	0.9
72.99306	1.9
76.30244	0.6
83.01385	1.8
85.02968	7.3
87.00880	2.0
89.02448	41.2
90.02821	0.7
95.01397	2.3
100.16999	0.7
101.02454	25.8
102.82047	0.7
113.02460	15.3
119.03517	18.5
131.03529	1.2
131.48721	0.6
143.03490	2.4
143.07124	1.0
152.53911	0.7
161.04552	1.1
161.08186	1.2
179.05583	3.7
323.13458	100.0
324.13782	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	321.1556
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	0.6
59.01378	100.0
60.01710	1.0
61.98824	0.6
69.42815	2.3
69.43216	0.6
71.01386	4.6
72.99310	0.6
73.02967	1.8
74.99112	1.3
83.01404	1.4
85.02958	2.8
87.00879	0.6
89.02471	0.8
95.01440	0.6
96.96060	0.6
98.20670	0.6
101.02468	4.4
113.02475	2.0
120.99697	1.6
134.03766	1.1
136.99161	1.1
145.57655	0.3
149.06148	0.4
157.08694	0.7
159.03084	0.7
161.04591	1.9
177.02063	0.6
178.02809	0.4
183.06303	0.3
193.05150	1.5
200.47015	0.4
232.34337	0.4
259.11032	0.5
279.14441	5.2
280.14853	0.5
321.10037	2.2
321.15802	0.4
326.65610	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.2023
Annotation	(-)-Jasmonoyl-L-isoleucine
Peak:m/z	Relative Intensity
57.03441	0.2
58.02972	2.1
58.03659	0.2
58.95378	0.2
59.01382	2.8
61.98835	0.5
66.80688	0.2
70.74738	0.2
71.01389	0.4
71.14663	0.5
77.35483	0.2
81.03465	0.3
88.64071	0.2
88.98832	0.2
91.42805	0.2
93.77953	0.2
95.05042	0.6
97.06591	0.5
101.02473	0.2
101.06076	0.3
105.63426	0.2
109.06626	0.7
114.01984	0.3
128.10831	7.3
128.11763	0.4
129.11253	0.3
130.08751	100.0
131.09103	3.3
165.12877	1.0
172.09818	0.4
253.89749	0.2
263.11395	0.2
296.45773	0.2
322.20221	38.5
323.08871	0.2
323.20627	4.3
335.21805	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1343
Annotation	Methoxycurvularin
Peak:m/z	Relative Intensity
51.34235	0.6
51.51728	0.6
57.03441	1.2
59.01371	6.1
61.98828	1.6
65.00300	0.8
67.01890	8.7
69.03463	1.1
71.01382	1.0
71.41405	1.4
81.03513	0.7
89.03952	0.8
96.95992	3.4
99.00924	0.8
102.24720	0.7
105.03467	1.4
107.01388	0.9
107.05045	6.4
119.05074	0.7
122.95678	0.6
125.06148	0.7
127.00399	0.9
131.05046	1.3
131.08679	5.0
133.01491	1.0
133.06558	0.9
135.04526	2.2
145.37529	0.6
146.03708	1.3
147.04520	3.0
147.08208	0.8
149.06126	2.8
151.04041	1.0
157.06538	1.0
159.04512	1.0
161.02483	0.6
161.06058	1.1
174.06795	1.3
175.04034	14.1
175.07646	36.7
176.04449	1.1
176.07990	2.0
177.05594	3.0
179.03474	1.4
189.05588	1.3
197.09738	0.7
201.05531	1.1
201.09203	2.3
215.07179	1.4
215.10760	3.8
219.10260	26.0
220.10619	1.5
231.10289	3.6
233.08244	2.0
233.11835	2.4
233.15752	0.8
235.09735	1.2
247.09749	2.5
250.20049	0.6
259.13278	2.2
263.09222	22.1
264.09637	1.9
277.10876	2.8
277.14191	0.9
303.12460	3.5
303.15494	0.7
321.13431	100.0
322.13766	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	321.1457
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15220	0.8
59.01376	53.9
60.01681	1.0
61.98811	1.0
64.21095	0.8
69.42046	6.6
71.01386	8.3
71.45588	0.7
84.04552	1.8
85.02943	1.4
87.00854	0.8
89.02454	3.4
95.05022	1.7
96.04596	0.8
96.96022	29.0
101.02447	2.5
107.03764	2.3
108.04551	3.1
110.02563	0.7
110.06154	0.8
112.04067	22.5
113.02461	3.3
113.04372	1.0
119.03545	0.9
120.99656	9.1
121.05338	3.9
122.06134	54.4
123.06448	2.4
124.04065	19.4
124.07697	7.6
125.04505	0.9
136.07695	100.0
137.08109	4.0
137.31921	0.8
138.09264	3.0
140.07199	16.2
150.05594	1.2
166.05170	1.8
167.05885	2.6
168.05237	1.2
168.06665	17.4
169.06992	1.5
180.06683	11.9
182.08150	1.6
184.06157	56.5
185.06438	2.0
190.29285	0.9
191.60899	0.9
216.13942	1.1
229.65044	1.1
231.11421	1.2
259.10995	0.9
259.14438	3.4
277.11896	1.0
281.27158	0.8
288.10880	0.9
303.13470	25.8
304.13809	1.4
321.06454	3.5
321.10477	3.4
321.14230	2.1
336.13913	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1555
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
60.01715	1.2
61.41181	0.4
65.61667	0.4
70.89346	1.3
71.01367	1.9
73.85699	0.4
76.68437	0.4
85.02946	0.4
87.00860	0.4
89.02453	3.5
91.94408	0.5
96.96022	27.6
101.02457	1.7
113.02475	1.1
119.03528	1.3
128.60031	0.4
132.73737	0.4
138.83606	0.4
179.05722	0.6
190.96689	0.4
227.55612	0.4
321.06534	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	321.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.6
56.10426	0.3
56.32037	0.4
57.03434	0.4
58.00591	1.2
59.01377	53.9
59.46948	0.4
60.01714	0.6
71.01385	17.1
71.72126	0.6
72.99319	1.9
73.02957	1.2
75.00884	0.4
83.01411	1.5
85.02956	4.2
87.00900	1.4
89.02451	14.2
91.65743	0.4
95.01419	1.6
101.02454	12.2
101.03111	0.6
102.02783	0.4
111.04507	0.4
111.08196	0.6
113.02460	7.3
113.09738	23.0
114.10090	1.1
119.03512	5.5
127.11319	0.8
133.06642	1.9
137.06174	0.4
139.07657	3.4
141.09221	5.5
143.03511	0.6
143.10776	2.0
149.06180	0.6
155.10820	2.2
157.08762	0.4
159.10281	59.1
160.10617	2.8
169.08630	0.5
179.05646	0.6
181.08719	1.3
201.11264	1.6
210.08965	0.9
211.09743	0.4
240.11906	0.4
309.02197	0.4
321.15540	100.0
322.15869	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	319.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11180	0.3
58.02976	6.1
59.01379	1.3
60.25161	0.5
66.03467	0.4
70.61863	0.8
70.62221	0.9
72.00913	4.2
82.06639	1.9
91.05544	8.2
91.06067	0.7
91.35990	0.4
112.07699	2.7
118.06637	3.3
119.93793	0.3
126.09277	2.0
129.10355	66.0
130.10709	2.5
135.04504	0.8
139.08711	0.6
147.04535	22.9
148.04897	1.0
153.10315	3.3
154.08769	10.4
155.11897	0.5
164.07178	54.3
165.07570	2.4
171.11406	44.7
172.11745	1.4
183.11389	0.4
216.13922	1.2
233.16586	31.9
234.16925	2.5
252.07458	0.5
275.17572	4.3
277.15515	2.5
281.16360	0.4
319.16626	100.0
320.16977	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	319.2278
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26475	0.6
55.11777	0.6
57.03441	1.1
58.00579	2.5
59.01379	11.4
61.52414	0.5
61.98813	1.0
71.01380	2.0
71.58174	0.7
71.58634	1.1
72.99297	1.5
73.02947	11.2
78.54857	0.5
80.96524	11.3
84.02187	1.3
85.02979	1.5
95.04997	0.8
97.06616	0.9
100.01659	1.0
111.08164	0.9
113.02389	0.6
125.06113	1.3
139.07652	0.8
145.50206	0.7
205.19617	1.5
210.88251	0.8
250.15733	1.6
255.21194	1.2
259.20602	0.8
261.22269	1.3
263.23724	1.6
273.22232	3.9
289.21674	0.7
291.23300	8.6
292.13293	0.7
292.23569	1.4
301.21783	1.2
319.19812	4.1
319.22772	100.0
320.19635	1.4
320.23087	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	319.2278
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.9
58.00595	3.2
59.01107	1.0
59.01377	11.6
61.98836	0.9
71.01371	2.4
71.62324	1.3
72.99326	0.8
73.02947	14.8
80.96519	10.3
84.02201	1.2
85.02953	0.9
95.05029	0.7
97.06594	1.0
111.08160	1.1
125.06089	2.4
127.07635	0.9
139.07660	1.9
193.48152	0.6
224.14154	0.8
245.81586	0.6
250.15579	1.5
255.21005	1.1
261.22217	2.1
263.23718	1.6
273.22220	5.7
275.20239	0.7
289.21594	1.2
291.23260	9.6
292.23569	0.9
301.21683	1.4
319.22766	100.0
320.23056	12.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.098
Annotation	4-O-Cinnamoyl quinic acid
Peak:m/z	Relative Intensity
51.29427	0.5
51.85391	0.4
57.03441	1.8
59.01379	6.8
60.99307	6.1
61.98827	1.8
63.18237	0.5
63.74966	0.5
65.03972	0.7
67.01895	13.6
69.03459	3.8
69.59752	3.6
70.47165	0.5
71.01382	5.5
71.05042	0.5
73.02932	0.8
81.03448	2.4
83.05027	1.9
85.02979	1.3
87.00884	23.5
93.03468	100.0
94.03820	2.9
96.96024	1.2
99.00909	2.7
99.04543	1.5
101.02441	0.8
101.17303	0.5
109.02951	1.4
111.00911	1.1
111.04539	16.6
113.02494	2.6
113.09902	0.5
115.04040	1.0
119.05052	0.7
129.01959	2.9
135.01222	0.6
137.02428	0.6
143.03537	0.9
147.04539	22.4
148.04871	0.9
154.33319	0.5
155.03503	3.1
165.07132	0.4
173.04564	68.3
174.04889	2.4
193.02074	0.5
279.06693	0.8
307.06052	1.2
321.09814	56.9
321.13065	2.0
322.10294	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	319.1399
Annotation	Rengyoside B
Peak:m/z	Relative Intensity
53.42115	0.6
54.50505	0.6
55.01867	1.9
57.03425	1.9
58.00579	1.7
59.01376	37.1
69.51221	6.1
71.01382	29.9
72.01688	0.6
72.99300	2.1
73.02957	5.3
75.00887	1.0
83.01383	3.7
84.02195	1.5
85.02963	8.3
87.00867	1.9
87.68832	0.6
89.02444	13.2
95.01408	2.3
99.00889	1.4
99.11652	0.6
101.02451	17.6
111.08164	17.4
112.04073	2.4
113.02462	9.7
113.09724	1.8
115.99728	0.6
119.03484	3.6
120.04571	1.6
121.05344	2.4
122.06148	4.3
123.03267	4.0
124.04089	3.2
126.68703	0.7
136.07697	19.5
137.06049	2.1
137.08014	0.9
138.05623	22.8
139.07657	3.5
140.07149	1.4
141.09270	1.1
143.03488	0.7
150.05682	0.7
153.09267	1.2
157.08708	59.1
158.09052	2.7
159.02919	0.9
161.04565	3.3
182.04594	2.3
183.05333	1.3
184.06137	5.2
199.09711	2.1
233.12010	1.1
257.12994	4.4
319.13968	100.0
320.14331	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	319.1397
Annotation	Rengyoside B
Peak:m/z	Relative Intensity
53.28975	1.2
55.01863	3.0
57.03432	3.1
58.00588	4.9
59.01376	86.3
61.98817	3.3
62.81668	1.0
69.03457	5.7
70.88517	2.4
70.88892	2.2
71.01381	61.6
71.05019	5.9
72.99302	5.1
73.02947	10.1
80.96521	2.2
83.01402	6.8
85.02956	21.7
87.00864	3.2
87.96060	1.0
89.02448	50.4
95.01388	5.7
95.08660	1.3
96.96014	1.9
97.02940	1.2
99.00895	4.8
101.02450	43.4
102.02786	1.1
113.02459	25.5
118.98136	1.2
119.03515	25.4
120.99660	1.6
122.06184	1.1
131.03526	2.3
138.05614	1.2
139.07671	5.0
143.03552	6.0
146.08238	3.0
149.04604	1.6
157.08698	2.2
159.02982	1.5
161.04581	9.0
179.05627	4.4
189.07048	2.4
205.03485	1.2
215.07884	1.0
247.15460	1.4
275.14957	5.1
277.12177	2.5
319.08948	5.7
319.13956	100.0
320.14349	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	319.1334
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02977	7.9
59.01382	81.5
61.98831	2.5
70.02983	30.3
70.43130	1.1
70.95210	2.7
71.01389	3.9
71.05025	24.0
72.00909	1.7
76.02261	1.0
87.05643	6.2
97.04085	5.3
99.04531	4.3
106.52167	1.0
108.74995	1.0
111.05624	1.1
115.05240	1.3
116.07180	1.4
118.03357	4.0
128.07199	39.4
129.06715	12.2
130.03340	33.9
130.04846	1.3
131.03616	1.2
143.04581	1.3
146.08252	84.0
147.05998	3.3
147.08617	2.3
169.09853	1.4
189.07057	5.3
199.10954	7.1
202.46291	1.0
211.09129	2.8
213.41466	1.3
217.11942	18.1
218.12366	1.1
229.10159	4.3
259.11197	17.0
277.12274	100.0
278.12607	9.1
319.13315	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	319.1399
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	2.6
57.03442	5.4
58.00592	3.0
59.01375	92.9
60.01654	1.1
61.98843	2.9
67.29690	1.1
67.81454	1.2
69.03468	1.6
69.28388	13.4
70.02986	2.9
71.01382	77.9
71.05005	3.5
72.99313	4.6
73.02947	15.9
78.16319	1.1
79.95749	3.8
80.96521	6.6
83.01418	8.3
83.04984	1.3
85.02956	28.7
87.00877	3.2
89.02450	40.5
89.03013	2.0
90.24730	1.1
95.01389	7.0
96.96019	11.2
97.03011	1.8
99.00895	6.8
101.02451	64.3
102.02734	1.4
103.44190	1.2
111.00930	1.2
113.02462	34.7
118.98138	3.0
119.03522	18.0
120.99693	1.5
121.02963	4.3
128.07178	3.9
130.03360	4.1
131.03552	1.6
133.46547	1.1
136.07808	1.5
138.05675	2.1
139.07611	5.8
143.03510	3.3
146.08258	10.1
149.80913	1.2
157.08693	3.7
159.02988	3.3
161.04601	14.7
162.05675	2.4
164.07210	1.8
172.10936	2.3
177.09233	2.4
179.05594	2.3
192.25742	1.2
203.10815	1.5
203.93750	1.1
217.11879	1.9
259.11157	2.2
275.15012	12.2
277.12213	10.5
301.11993	1.4
319.08551	35.6
319.13940	100.0
320.08826	3.3
320.14264	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	317.1527
Annotation	Unknow
Peak:m/z	Relative Intensity
56.63093	15.8
56.67291	16.0
59.01368	50.8
61.98832	100.0
71.01379	51.3
71.61443	26.2
87.88896	16.2
92.36584	16.2
102.05640	25.4
121.08962	16.5
124.61065	15.1
140.00316	23.3
146.96600	36.1
160.92137	19.0
175.90608	19.2
281.17630	72.7
317.17804	21.0
318.17407	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	317.1607
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	2.5
59.01378	10.2
61.98824	1.7
65.57586	0.8
69.03440	0.7
71.01383	2.5
71.05019	6.7
71.69763	1.7
72.99305	0.9
73.02957	0.8
80.96520	0.9
83.01360	0.8
83.05027	1.3
87.04492	1.0
89.02449	1.0
91.04031	2.2
95.04974	1.0
96.96026	1.8
97.02974	4.7
97.06589	3.4
99.00894	33.4
105.25069	0.8
109.06647	1.7
110.03738	1.2
120.99601	0.8
123.08179	3.1
125.09750	12.8
127.11295	1.9
135.08258	0.8
136.05363	0.9
142.02744	2.1
145.10277	1.1
153.12881	1.5
155.14441	1.3
160.04007	1.1
162.05635	0.8
163.11313	18.7
181.12364	53.9
182.12706	2.7
183.10277	2.4
197.11836	2.0
199.13419	37.7
200.13748	1.9
207.10275	50.8
208.10590	3.5
225.09006	1.6
225.11331	92.4
226.11635	7.6
243.12376	98.0
244.12677	6.4
273.12433	1.1
317.16074	100.0
317.19095	3.5
318.12454	1.3
318.16287	10.4
320.83783	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.0283
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75309	0.5
53.42577	0.5
54.39455	0.4
59.01401	0.8
61.98820	0.5
68.99574	72.2
70.02998	0.5
70.27161	2.2
75.00874	1.6
98.20618	0.8
104.11354	0.5
112.98579	100.0
113.98946	1.3
130.08757	1.8
133.01537	0.6
150.04234	4.2
151.04614	1.0
206.04399	0.9
238.34047	0.5
243.09718	0.6
258.89456	0.5
282.08453	2.6
283.08743	1.8
319.12823	6.6
320.12598	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1243
Annotation	Unknow
Peak:m/z	Relative Intensity
55.21850	0.6
57.03460	0.7
59.01379	100.0
60.01725	1.0
61.98837	1.8
69.03439	0.5
71.01383	52.5
71.65443	0.8
71.65874	0.6
72.01730	0.7
72.99325	0.6
73.02953	6.5
80.96522	0.5
81.03460	0.7
83.01399	1.0
83.05038	1.2
84.13180	0.5
85.02974	1.9
86.14310	0.4
89.02460	1.6
90.87988	0.5
95.05041	0.7
97.06599	0.7
99.00896	2.0
101.02458	5.1
108.02234	0.9
109.06631	0.8
111.04581	0.8
113.02451	2.9
113.03590	0.8
113.06099	2.2
116.05068	0.6
119.03506	0.8
123.04486	1.1
124.01709	1.5
125.06107	0.9
130.08723	1.1
133.06506	0.5
137.06100	0.6
149.06090	0.6
151.07655	0.5
155.07179	0.6
160.04109	0.7
161.04755	0.6
162.05692	1.0
163.10915	0.6
167.17511	0.5
177.04343	0.6
203.08287	1.2
257.10361	0.6
273.12543	1.0
275.11392	5.6
275.92416	0.6
299.10269	0.5
300.09891	0.7
317.05591	1.3
317.11795	2.3
317.16022	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1602
Annotation	porphyrinogen
Peak:m/z	Relative Intensity
51.48725	0.3
59.01369	1.9
61.98828	0.5
69.84751	0.4
70.94778	0.6
79.70500	0.3
82.01010	0.3
83.05051	1.1
99.21135	0.3
99.92616	0.5
117.03473	15.6
119.05042	12.1
120.05401	0.5
121.02992	2.1
123.04559	0.8
123.08157	0.5
134.03609	0.3
135.08205	0.6
139.01929	0.3
143.20259	0.3
145.02968	100.0
146.03320	5.2
151.11302	5.1
152.11652	0.4
162.03235	1.4
163.04041	5.0
169.12366	0.9
223.23546	0.4
241.20023	0.3
275.21915	0.4
315.16013	92.4
316.16345	11.7
316.19962	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65739	0.3
57.03437	0.9
59.01380	1.9
61.98836	0.5
69.03445	0.4
70.48620	1.2
71.01390	0.3
71.05012	0.5
83.05016	1.0
84.02158	0.5
85.02929	0.6
85.06593	5.3
104.96654	0.3
115.07694	0.5
125.09764	2.5
127.11312	2.2
149.28044	0.3
155.14433	1.2
163.11285	0.3
165.12842	0.4
167.10759	0.7
167.14380	1.7
171.10294	4.1
183.13910	7.1
184.14186	0.3
193.12323	1.9
194.12531	0.4
199.13335	0.5
209.11833	1.2
211.13394	36.7
212.13725	3.2
226.07428	0.6
229.14438	20.2
230.14760	1.3
241.09775	1.1
260.28738	0.3
271.10809	1.9
279.19720	1.0
297.20792	0.9
315.21765	100.0
316.22125	10.5
316.25873	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1142
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	1.2
61.98822	0.3
70.14058	1.3
71.01390	2.0
73.02953	0.6
74.94680	0.3
77.03961	1.4
84.01037	0.3
85.02956	0.9
85.11011	0.3
86.91525	0.3
87.00842	0.3
92.05045	0.4
97.62809	0.3
99.00889	0.4
101.02448	0.8
103.04284	0.4
109.02972	0.4
110.06130	0.9
113.02440	0.5
116.05064	0.8
117.83569	0.3
118.02056	0.3
118.06644	17.0
119.06981	0.5
120.04569	0.4
121.05311	0.3
122.06136	2.2
124.04060	2.7
132.04572	0.4
136.04060	0.7
136.07718	0.7
144.04532	0.4
148.04086	0.5
150.05650	0.7
152.03487	0.3
154.05110	2.1
160.04047	1.6
161.04607	0.6
162.05621	100.0
163.05980	4.4
176.03566	1.3
176.51672	0.3
177.04253	1.4
178.05128	1.1
194.04594	6.2
194.90030	0.3
206.04596	2.4
209.03319	1.2
243.11427	0.4
257.05566	0.5
269.09329	0.6
273.12354	0.6
287.10336	0.8
299.10379	2.3
299.13467	0.4
317.11417	14.2
317.19434	0.4
318.11743	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1243
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	0.8
58.00563	0.7
59.01379	100.0
60.01715	1.2
61.55528	0.5
61.98808	1.5
69.63567	3.9
71.01385	54.4
72.01746	0.9
73.02950	6.3
83.01392	1.2
83.05042	1.0
85.02964	2.8
87.00900	0.7
89.02460	1.7
93.03464	0.8
93.67160	0.5
95.01421	0.8
95.05061	0.7
97.01166	0.7
97.06608	0.5
98.19908	1.1
99.00921	2.1
100.72194	0.5
100.96718	0.6
101.02451	4.0
103.61465	0.5
106.47855	0.7
109.44500	0.6
110.06171	0.7
113.02433	3.3
113.06131	1.5
116.92967	0.7
118.95150	0.5
119.03536	1.1
123.04578	1.0
124.01707	1.3
137.06073	0.9
151.07663	0.6
155.07253	0.8
160.04074	0.6
161.04739	1.4
162.05698	1.7
185.24319	0.6
203.08360	0.8
229.05557	0.8
255.11394	0.9
257.10092	0.8
273.12448	0.8
275.11383	3.8
299.10355	1.1
300.10272	1.1
317.11719	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	315.1087
Annotation	Taxicatin
Peak:m/z	Relative Intensity
50.62437	0.3
57.01720	0.3
59.01366	1.3
61.98825	0.5
62.27824	0.3
65.03963	4.2
67.01888	1.3
70.85088	0.4
70.85429	0.7
71.01376	2.0
73.02942	0.5
75.39848	0.4
78.95948	0.4
85.02934	0.7
87.05631	0.4
88.98798	0.5
95.01404	0.4
95.05053	0.6
96.96001	0.3
98.19952	0.4
101.02441	0.9
103.16107	0.3
108.02184	0.7
109.02965	72.3
110.03306	2.8
113.02464	0.7
118.98108	0.3
122.03783	0.4
123.04539	67.4
124.04897	2.3
130.08769	0.6
134.46046	0.4
135.00911	3.3
143.03735	0.4
151.00362	0.6
151.04163	0.4
152.01221	0.5
153.01967	48.2
153.05591	100.0
154.02284	2.0
154.05942	5.2
161.04588	0.9
167.90746	0.3
172.22214	0.3
225.06451	0.8
254.53453	0.3
281.11539	0.4
298.14169	1.1
315.07294	21.3
315.10867	3.6
316.07620	2.1
316.11060	0.6
316.14987	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1449
Annotation	Merrilliortholactone
Peak:m/z	Relative Intensity
54.36570	0.3
55.01877	0.5
57.03454	0.6
57.93024	0.3
59.01377	2.9
61.98838	0.5
67.01915	0.5
69.03451	2.6
69.19511	0.3
69.71173	2.4
71.01402	1.2
71.05007	2.2
73.02941	0.4
74.02466	1.6
83.05054	0.4
89.02439	0.7
91.04015	1.9
97.06607	0.7
97.59957	0.3
108.02190	0.4
113.02452	0.4
123.08176	0.5
125.09744	1.4
149.09750	0.7
151.11285	1.9
153.12886	2.6
161.09715	3.1
171.10291	0.6
179.10796	11.4
180.11125	0.8
195.62828	0.4
197.11835	100.0
198.12183	7.6
223.09763	1.9
241.10803	15.5
242.11098	1.4
279.15939	0.4
282.66931	0.4
288.80856	0.4
315.14453	45.3
316.14786	5.1
316.21155	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.16
Annotation	porphyrinogen
Peak:m/z	Relative Intensity
59.01379	1.1
61.98826	0.5
71.71580	0.6
99.92591	0.7
117.03474	15.8
118.03819	0.6
119.05041	69.4
120.05383	2.8
121.02969	1.8
123.04566	0.6
133.02934	0.7
139.11304	1.5
145.02968	80.5
146.03302	3.3
153.05519	0.4
162.03255	1.1
163.04027	7.1
164.04250	0.6
167.10875	0.5
169.12315	1.5
229.10957	0.5
232.93137	0.5
315.16010	100.0
316.16321	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	315.1603
Annotation	porphyrinogen
Peak:m/z	Relative Intensity
59.01381	2.3
61.98825	0.8
70.17979	1.7
71.34547	0.4
83.05000	0.5
98.52447	0.3
99.00864	0.5
117.03479	10.3
119.05042	31.2
120.05373	1.3
121.02956	3.8
123.04536	1.5
124.04778	0.3
133.02963	1.1
134.03755	0.7
141.48302	0.3
145.02972	34.9
146.03322	1.6
162.03214	1.7
163.04030	27.8
164.04294	1.7
232.97363	0.4
297.24194	0.5
315.16016	100.0
315.25357	8.1
316.16336	12.6
316.25754	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0722
Annotation	4-(beta-D-glucosyloxy)-3-hydroxy-benzoic acid
Peak:m/z	Relative Intensity
50.79818	0.5
59.01364	1.4
61.98529	0.9
61.98832	12.8
71.01375	2.9
71.70609	1.0
72.99313	0.5
73.02937	1.4
75.00882	1.2
77.00504	0.5
85.02954	3.0
87.00896	0.7
89.02418	0.6
92.50908	0.5
92.92843	1.0
93.03489	0.6
95.01383	1.8
99.00891	0.7
101.02449	1.0
108.02184	100.0
108.51663	0.5
109.02988	29.7
110.03288	0.7
112.98849	0.6
113.02435	1.7
115.00396	1.4
117.01907	0.5
117.05573	0.6
119.70480	0.6
121.02926	1.1
123.00906	1.6
123.04577	0.7
125.27414	0.5
135.02983	3.0
135.04526	1.0
142.99910	1.2
151.04027	1.5
152.01167	67.9
153.01958	30.6
154.02310	0.9
154.05077	0.6
161.00928	1.9
163.04053	1.8
165.01950	2.0
170.40442	0.5
173.98944	1.0
225.03999	0.5
252.98267	0.6
255.53114	0.5
279.07056	0.7
285.98822	0.6
315.07202	92.5
316.07578	6.7
339.05386	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0722
Annotation	4-(beta-D-glucosyloxy)-3-hydroxy-benzoic acid
Peak:m/z	Relative Intensity
59.01381	0.5
62.92136	0.3
65.03963	6.2
67.01891	2.9
70.04016	0.6
70.04430	1.2
71.01393	2.1
73.02946	1.1
81.32397	0.3
85.02957	1.0
91.01910	0.3
94.52330	0.3
95.01569	0.3
101.02464	1.0
106.16204	0.3
109.02962	100.0
110.03297	3.9
113.02448	0.7
135.00877	4.1
140.17143	0.4
146.11496	0.3
151.03955	0.4
153.01949	67.2
154.02289	2.6
161.04564	1.4
180.19881	0.3
181.46651	0.3
209.13235	0.3
258.21915	0.3
261.16589	0.3
315.07199	30.5
316.07455	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0722
Annotation	4-(beta-D-glucosyloxy)-3-hydroxy-benzoic acid
Peak:m/z	Relative Intensity
57.62585	0.4
59.01387	1.1
70.00296	0.5
70.92709	0.9
70.93027	0.5
71.01385	1.9
73.02943	1.2
74.05714	0.4
81.03466	0.8
85.02953	2.6
93.03472	0.7
95.01402	1.8
101.02452	1.2
102.70155	0.4
108.02186	100.0
109.02987	28.9
109.03577	0.3
110.03283	1.1
113.02460	1.2
121.02941	1.1
123.00906	1.0
123.04511	0.8
134.03769	1.8
135.04547	4.4
151.04059	1.1
152.01169	67.7
153.01958	26.1
154.02290	1.0
163.04041	1.4
165.01926	1.3
178.92162	0.5
215.45366	0.5
233.73427	0.5
263.50983	0.4
279.50055	0.5
315.07208	86.4
316.07504	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	313.2383
Annotation	Octadecanedioic acid
Peak:m/z	Relative Intensity
54.20834	1.1
59.01378	100.0
60.01723	1.4
61.98833	2.1
71.58215	1.6
89.02461	1.4
95.31160	1.2
101.56292	0.9
117.03493	1.1
122.89639	0.9
133.03014	1.7
134.03764	15.8
147.44035	1.0
179.03401	1.2
193.05083	18.2
194.05345	1.5
199.02286	1.4
209.15428	2.2
223.20769	1.2
225.18640	1.5
253.09222	1.6
253.21706	6.0
271.22748	41.7
272.23117	3.9
284.20630	1.1
313.10809	3.0
313.16751	4.1
313.23886	21.9
314.24185	2.8
314.28317	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2385
Annotation	Octadecanedioic acid
Peak:m/z	Relative Intensity
59.01375	3.6
61.98818	1.8
70.79775	0.5
71.51359	0.8
71.51720	0.5
78.72173	0.4
86.25636	0.5
89.02506	0.5
89.03961	0.8
95.06188	0.5
96.95991	0.5
99.37640	0.6
104.03543	3.2
113.09750	0.6
117.03475	4.7
121.02962	2.0
123.04530	0.5
127.11384	0.5
128.84166	0.5
133.02980	6.3
134.03763	57.7
135.04477	3.8
137.02437	2.4
139.04025	0.7
143.10806	0.7
148.05299	0.7
149.06114	4.1
157.08690	2.2
169.12341	6.4
178.02739	2.4
179.03505	4.9
189.12834	1.1
193.05066	61.0
194.05426	3.0
205.08739	0.8
253.09235	2.0
277.21716	0.9
283.06067	0.6
295.22812	13.2
296.23193	1.3
298.08508	1.7
311.22192	0.8
313.10861	12.7
313.17914	2.8
313.23840	100.0
314.04980	0.8
314.11118	1.4
314.24194	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	314.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25440	0.2
59.01378	1.1
62.91991	0.2
64.22136	0.3
71.01388	4.1
72.00915	0.5
88.04047	34.7
89.04394	0.4
108.47537	0.2
114.01993	3.2
115.00385	10.6
116.00764	0.4
131.04611	0.2
132.03041	100.0
133.03415	2.1
143.07121	0.4
226.18083	0.5
227.31804	0.2
229.64970	0.3
241.05779	0.2
314.20502	2.2
331.74329	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	2.2
61.98814	0.9
67.54152	0.5
69.83040	2.3
69.83454	0.7
71.01377	0.7
72.00912	15.8
74.02475	14.2
74.71707	0.5
81.03456	1.6
83.05027	5.6
88.04060	0.6
104.03547	100.0
104.94551	0.4
105.03888	1.6
108.82308	0.4
117.03484	0.7
119.05044	1.7
125.96036	0.4
134.03786	4.2
135.04065	3.4
136.04778	0.6
145.03001	2.2
145.05115	0.9
163.04015	0.7
170.63420	0.5
187.13393	1.8
193.05080	3.4
194.05450	4.2
268.87332	0.5
314.11148	1.6
314.24136	2.1
315.16034	4.4
315.18732	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.202
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	0.9
59.01382	2.9
61.98832	0.9
63.39008	0.4
69.03457	1.2
70.32069	0.9
70.32484	0.7
71.01382	1.1
71.05022	0.5
72.61036	0.4
81.03467	0.7
83.05026	7.1
84.02155	0.5
85.02955	3.3
86.03323	0.3
89.02499	0.3
95.05040	1.0
96.96050	0.4
97.02977	0.4
97.06579	0.5
109.06636	0.4
111.04506	0.3
123.08200	0.7
125.09754	1.3
127.11331	1.8
134.03758	1.3
135.04568	0.4
139.11273	0.3
141.09224	0.9
146.04593	0.4
151.11340	0.7
155.14377	0.8
156.32652	0.3
156.70888	0.4
162.10696	0.4
163.11273	0.4
165.12891	0.9
167.10764	0.6
167.14381	0.9
171.10295	7.3
175.11296	0.5
177.12869	0.8
181.12355	0.5
183.13913	5.7
185.11879	1.1
193.05092	1.4
193.12350	2.0
197.11928	0.5
203.10782	0.4
209.11803	1.9
211.13396	27.1
212.13640	1.7
221.11880	2.9
229.14438	15.5
230.14786	1.0
239.12895	1.5
251.16460	0.3
253.09308	0.9
277.18161	1.9
295.19122	0.6
313.20193	100.0
314.20544	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	313.2384
Annotation	(plusmn)12,13-DiHOME
Peak:m/z	Relative Intensity
53.66650	0.2
57.03444	0.2
59.01373	0.7
59.06353	0.2
64.63812	0.2
71.96886	0.2
75.35567	0.2
89.87290	0.2
97.04711	0.2
99.00877	0.3
117.03464	0.4
121.02975	0.5
125.09719	0.4
127.11312	1.1
133.02969	0.2
134.03741	3.0
135.04347	0.2
137.02498	0.2
139.11313	0.5
141.12836	0.5
145.02939	1.0
155.10780	3.2
157.12334	0.5
159.29785	0.2
171.10289	5.3
193.05087	2.9
229.24518	0.2
265.21542	0.3
267.23291	0.5
269.24866	0.3
277.21774	1.0
290.94458	0.2
295.22797	7.8
296.23077	0.9
299.33011	0.3
311.22226	1.0
313.23831	100.0
314.24176	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	313.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15951	0.3
59.01382	2.1
67.01901	0.7
69.03464	3.0
69.55679	3.0
71.01389	2.1
79.07742	0.4
84.02166	1.3
85.02946	0.5
88.04039	1.1
93.07098	0.7
95.05043	3.0
97.06603	13.4
99.04521	1.0
99.08130	0.9
107.96968	0.5
108.00663	0.5
109.06617	2.0
113.03592	1.2
114.02000	1.1
119.08646	0.4
121.10258	2.3
123.08155	1.0
125.06075	1.2
131.04648	3.3
132.03040	2.4
135.08180	0.9
137.09706	1.3
139.11319	0.6
142.81569	0.5
143.07162	8.2
147.08104	0.6
149.09735	1.2
155.10822	0.4
157.08746	0.9
165.09230	8.9
166.09538	0.6
173.79095	0.4
183.10297	7.1
190.73462	0.4
193.08635	0.5
197.11848	26.2
198.12190	1.2
210.08969	0.5
211.78459	0.4
215.12897	10.5
225.11327	1.1
263.16528	3.8
266.58878	0.4
295.19150	0.9
313.20209	100.0
314.20554	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	313.1081
Annotation	Unknow
Peak:m/z	Relative Intensity
56.06723	0.3
70.92744	0.4
70.93073	0.7
77.06407	0.3
89.03948	1.6
91.42030	0.3
105.03481	1.5
106.04239	0.7
117.03474	7.4
121.02972	0.7
133.02979	8.1
134.03754	100.0
135.04636	5.3
137.02444	3.8
139.04028	1.2
148.05313	0.6
149.06102	5.6
160.01669	0.8
175.04041	0.4
178.02678	2.6
179.03520	6.4
180.03923	0.5
187.02985	0.3
189.99530	0.4
193.05060	95.6
194.05414	4.9
231.85725	0.4
298.08386	0.9
311.02048	0.3
313.10803	17.5
314.11200	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1081
Annotation	3'-Deoxysappanone B
Peak:m/z	Relative Intensity
59.01373	1.0
60.56799	0.3
61.98811	0.4
70.26839	1.3
83.05018	0.3
86.73235	0.3
89.03991	1.9
91.02234	2.8
93.00144	0.6
95.05059	0.4
105.03465	1.4
106.04280	0.4
111.72117	0.3
117.03477	6.0
118.03828	0.5
121.02952	1.2
132.02185	0.3
133.02966	9.1
134.03757	93.7
135.04472	6.1
136.04886	0.4
137.02454	5.4
139.04027	1.2
148.05309	1.0
149.02380	0.3
149.06087	5.4
150.03302	0.7
160.01653	0.8
165.02002	0.5
175.04013	0.7
177.01880	0.4
178.02693	2.9
179.03511	9.0
180.03975	0.4
193.05066	100.0
194.05408	5.5
269.32849	0.3
298.08359	1.4
313.10828	17.9
313.23264	1.7
314.11081	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	313.1081
Annotation	3'-Deoxysappanone B
Peak:m/z	Relative Intensity
59.01377	3.4
61.98832	0.8
64.21844	0.5
71.20302	0.9
71.20631	0.6
72.92201	0.4
88.84636	0.4
89.04001	1.5
91.02238	0.7
105.03489	1.2
106.04247	0.6
117.03475	6.5
121.02966	1.6
132.02269	0.5
133.02969	9.1
133.03909	0.7
134.03760	91.9
135.04469	5.8
137.02454	5.2
139.04045	1.7
148.05286	1.0
149.06113	6.1
150.06393	0.5
160.01727	0.9
175.03966	0.6
178.02782	2.4
179.03517	9.8
180.03833	0.8
184.01576	0.4
193.05069	100.0
194.05379	6.1
229.87056	0.4
253.21605	0.8
271.22714	0.9
298.08435	1.6
313.10797	15.8
313.16925	1.5
313.21249	0.8
313.27505	1.9
314.11099	1.9
339.60825	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0934
Annotation	Glochidionolactone A
Peak:m/z	Relative Intensity
51.85756	1.4
55.01874	3.0
57.03452	3.4
59.01381	14.1
60.71645	1.3
61.98831	4.1
71.01385	56.4
71.12941	2.6
73.02956	15.2
74.55942	1.2
75.00871	1.9
83.01401	4.7
85.02961	23.4
87.00855	2.0
89.02457	3.9
93.03491	3.7
95.01398	4.5
99.00901	5.1
101.02452	26.7
106.04288	7.7
107.05039	100.0
108.02178	5.4
108.05368	3.7
113.02459	19.9
121.02966	3.4
121.35326	1.2
123.04542	1.2
125.02515	1.6
134.03764	2.7
151.04028	76.1
152.04399	3.6
153.01900	1.4
155.31567	1.3
159.02998	3.3
161.04581	14.9
191.81108	1.4
193.05093	2.6
194.37105	1.3
198.37886	1.2
253.09221	4.1
294.90872	1.3
313.09415	4.4
316.12729	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1081
Annotation	3'-Deoxysappanone B
Peak:m/z	Relative Intensity
56.30861	0.2
59.15701	0.2
71.17458	0.6
89.03966	1.1
93.03487	0.4
95.05025	0.2
96.14473	0.2
105.03468	1.3
105.61629	0.2
106.04306	0.3
110.08664	0.2
117.03486	6.2
117.04300	0.4
118.03873	0.3
119.05049	0.4
121.02968	0.8
132.02234	0.3
133.02974	8.6
134.03760	82.6
135.04471	5.9
136.04875	0.3
137.02461	3.5
139.04108	1.4
148.05328	0.8
149.02429	0.4
149.06100	4.9
150.03262	0.6
160.01698	0.8
175.04059	0.4
178.02718	2.7
179.03506	7.4
180.03893	0.4
193.05066	100.0
194.05411	4.3
298.08493	1.3
313.10797	16.8
314.11078	1.1
314.17883	0.2
317.09457	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11162	0.3
57.03451	0.5
59.01382	3.8
61.98853	0.3
70.92810	0.6
70.93140	0.3
78.92058	0.3
82.14509	0.3
92.92332	0.3
97.06580	0.6
99.08166	0.4
113.09729	1.3
115.07652	1.0
118.16565	0.3
127.07687	0.7
128.08502	0.6
129.09221	0.5
139.11292	0.9
145.82156	0.3
155.10767	0.3
165.12889	0.4
167.14423	3.4
169.12457	0.3
171.10284	0.8
172.10692	0.4
181.12361	0.3
183.13948	2.4
195.13940	10.6
196.14217	0.9
197.11853	0.4
211.13383	2.4
213.14899	1.4
241.14478	0.6
242.15332	0.7
247.17041	0.4
249.22189	0.7
251.11340	0.7
265.21744	1.1
267.23349	0.6
275.20099	0.6
283.22760	0.4
293.21240	7.8
294.21472	0.7
311.22278	100.0
312.18909	0.6
312.22586	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	311.2227
Annotation	7S,8S-Dihydroxylinoleic acid
Peak:m/z	Relative Intensity
56.09995	0.5
57.03442	1.9
59.01370	2.6
59.39418	0.5
60.76471	0.5
61.98804	0.9
69.37724	0.5
69.99477	0.9
69.99896	2.3
73.06556	0.5
80.35451	0.6
81.51901	0.6
83.05022	0.7
107.08665	0.7
125.09769	1.5
127.68456	0.6
139.11264	0.6
141.12849	1.5
143.55093	0.5
151.11302	0.6
155.10872	0.9
167.12172	0.6
167.28502	0.6
171.10283	33.6
172.10638	1.7
183.10362	1.7
185.11850	1.1
263.20114	4.6
275.20175	8.4
276.20743	0.7
293.21222	23.5
294.21585	2.7
299.60388	0.6
311.22266	100.0
312.02173	0.6
312.22620	10.7
320.81638	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.0951
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69182	0.5
58.61875	0.5
59.01382	9.1
60.01701	1.7
61.98835	6.5
66.57978	0.5
71.01385	2.1
71.58904	0.7
73.02961	0.8
78.95918	0.6
83.01376	0.7
85.02966	1.2
87.00883	0.7
99.50700	0.5
101.02465	1.2
107.03638	1.6
108.02186	1.5
109.02915	0.9
113.02434	0.6
134.04745	100.0
135.05142	1.3
139.78278	0.5
149.02364	0.6
151.03958	1.1
152.01207	1.1
153.01952	1.3
193.04959	0.6
223.82547	0.5
252.11740	1.7
253.09326	1.4
266.08911	4.3
296.19156	0.5
313.05661	0.6
313.09119	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.226
Annotation	Unknow
Peak:m/z	Relative Intensity
56.69829	1.1
57.03441	3.4
59.01378	9.8
61.98827	2.6
62.75497	1.1
71.39584	1.7
77.61304	1.0
86.96285	1.2
88.04045	5.1
89.07880	1.1
90.11973	1.1
97.06606	2.6
98.06934	1.8
113.09734	8.7
114.10057	5.7
117.03481	2.8
121.02972	1.6
133.02951	3.1
134.03767	29.9
135.04504	1.7
137.02443	2.3
139.11296	20.5
140.10619	2.0
140.11658	18.6
145.03011	2.4
149.06088	2.1
167.10843	2.0
168.11127	1.3
171.10289	27.0
172.10628	26.0
173.10759	2.1
179.03572	3.1
193.03357	2.1
193.05078	32.4
196.14220	1.2
201.11299	1.7
211.13304	1.2
212.13850	1.9
250.22505	2.3
253.09157	2.1
293.20737	1.3
294.21576	100.0
295.21881	5.5
312.22565	9.9
312.29602	1.4
313.10800	6.7
313.14502	4.4
313.17789	1.8
313.23816	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	311.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.6
59.01385	1.3
59.96784	0.6
68.71345	0.6
70.59511	2.1
70.59892	1.2
83.05029	1.7
97.02946	1.9
97.06645	0.7
99.08156	2.1
113.09728	3.2
121.10242	3.0
121.31632	0.7
125.09710	2.1
137.09689	0.7
139.11320	8.2
165.12811	1.3
167.10703	1.1
170.77597	0.7
171.10278	20.7
172.10646	1.2
183.13927	0.8
185.11848	2.7
193.12347	13.0
209.11913	0.7
210.97728	0.7
211.13403	6.3
236.75658	0.7
237.42833	0.7
267.64313	0.7
293.21225	20.0
294.21674	2.1
311.22278	100.0
312.22644	11.5
332.59415	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	1.6
58.62690	0.6
59.01376	0.7
62.64568	0.7
64.64515	0.5
65.82722	0.6
71.01382	0.7
71.70951	0.7
121.10217	1.9
123.08144	0.7
125.09720	3.6
127.11300	5.7
137.09752	0.9
139.11308	14.1
140.11649	0.9
141.12903	0.7
151.11264	1.0
155.10768	2.8
165.09190	1.2
167.10812	0.9
171.10283	64.9
172.10609	3.8
183.10265	5.4
185.11847	16.0
186.12109	0.9
193.12421	0.7
201.11327	9.7
211.13513	0.6
249.22137	1.0
252.35664	0.6
275.20166	5.9
293.21222	21.4
294.21490	2.6
311.22256	100.0
312.22635	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	311.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
55.07418	0.7
57.03443	2.1
59.01373	1.9
69.03439	0.8
71.60847	1.5
87.16405	0.9
95.05020	0.8
96.35223	1.0
97.06577	1.0
98.93362	0.7
109.56286	0.8
121.10213	1.3
125.09730	2.7
127.11323	5.8
137.09698	1.1
139.11307	9.9
140.11615	0.9
146.61813	0.8
155.10800	2.6
165.09245	1.0
169.23753	0.8
171.10280	57.1
172.10608	2.6
181.12260	0.9
183.10310	5.4
185.11855	10.1
186.12119	0.9
197.11855	1.0
201.11327	9.8
211.13376	2.6
222.56166	0.9
237.94330	0.8
240.13029	0.9
275.20087	4.6
293.21243	13.9
294.21603	1.6
311.22263	100.0
312.22568	9.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.0903
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
70.55098	40.9
99.91708	11.9
128.82895	12.8
135.04581	21.4
149.04562	19.2
151.20949	13.5
158.68643	12.4
189.05574	49.1
241.23903	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	311.0924
Annotation	5,6,3'-Trimethoxyflavone
Peak:m/z	Relative Intensity
57.47476	1.3
59.01376	26.9
61.98829	3.0
71.01376	3.0
71.71507	1.8
72.61301	1.3
80.11299	1.6
85.02973	1.6
101.02467	1.6
102.63489	1.5
113.05341	1.4
113.06148	1.3
123.04571	2.3
129.02078	1.3
150.42839	1.3
157.08737	4.0
167.05020	2.0
171.04527	1.5
171.10251	2.1
183.01216	2.1
195.04568	2.3
195.08051	2.5
196.05310	2.9
207.08011	1.5
209.06082	4.8
216.64430	1.6
223.07658	7.8
223.17036	2.3
224.04791	6.6
224.08401	2.3
233.06093	1.5
235.07634	11.9
236.08269	2.9
237.05565	4.3
238.06487	3.3
239.07149	7.4
251.07141	30.0
251.11365	5.1
251.16518	4.3
252.07875	19.0
253.08379	2.5
255.06674	1.5
267.10104	2.0
279.06595	2.9
284.06891	2.3
293.21143	5.5
295.06158	10.9
296.06885	27.8
297.07330	2.3
311.09265	100.0
311.13226	3.7
311.18741	3.0
311.22183	20.6
311.29645	7.1
312.09659	11.5
312.22702	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	311.1136
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02158	0.4
51.49255	0.4
55.01857	0.4
57.03458	0.5
59.01377	100.0
60.01707	1.0
63.98670	0.4
69.46131	1.7
69.46563	2.0
71.01383	4.9
73.02949	2.0
83.01407	1.0
85.02972	2.1
96.64130	0.4
99.00893	1.1
101.02448	3.4
113.02452	1.1
120.67661	0.4
122.63988	0.4
161.03484	0.5
161.04538	2.5
269.10278	3.3
302.82800	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1136
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49879	0.3
55.01877	0.4
57.03434	0.7
59.01377	100.0
60.01714	1.6
68.15293	0.3
69.69302	2.3
70.38568	0.4
71.01380	4.7
71.78377	0.3
73.02969	1.5
81.72587	0.3
83.01408	0.8
85.02941	2.9
85.54718	0.3
86.19762	0.3
87.00886	0.6
99.00910	0.8
101.02449	3.8
113.02472	2.1
120.99689	0.7
137.69569	0.4
145.06575	0.6
161.04530	2.0
181.49730	0.3
193.05101	0.4
251.11497	0.4
269.10266	3.0
311.11136	0.4
311.29706	0.5
331.31064	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93635	0.3
54.34084	0.3
54.72700	0.3
59.01379	100.0
60.01720	1.1
70.43518	0.4
71.01380	2.1
71.09429	1.0
73.02966	0.6
83.01394	0.5
83.18358	0.3
85.02953	1.2
89.02457	1.0
91.76517	0.4
99.00931	0.4
101.02454	2.2
106.24634	0.4
113.02479	1.1
114.70935	0.4
149.02783	1.7
161.04573	1.4
161.05775	0.4
172.73381	0.4
224.67346	0.4
251.11307	3.3
278.95099	0.4
311.08099	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	310.0934
Annotation	p-Glucosyloxymandelonitrile
Peak:m/z	Relative Intensity
57.03444	1.8
58.00589	2.0
59.01378	58.1
61.98828	3.3
68.35677	1.4
71.01385	30.9
71.65292	2.6
72.99305	3.0
73.02957	5.4
75.00867	4.7
80.29646	1.8
83.01379	2.4
85.02957	7.6
87.00871	3.3
89.02458	24.4
92.05070	6.1
99.00897	3.6
101.02455	17.1
113.02486	8.8
116.05067	3.8
118.03001	2.8
119.03532	9.5
119.05035	1.8
120.04559	6.3
127.00391	3.1
131.03638	6.2
132.04594	10.5
134.06143	2.0
144.04581	7.8
146.02495	58.9
147.03284	49.4
148.04089	15.3
149.04588	8.8
149.05843	1.7
158.06075	1.7
160.04057	66.7
161.04457	6.0
163.04024	2.9
170.06087	1.9
172.04062	5.4
174.05667	11.0
179.02255	9.7
179.05592	2.4
186.05609	3.5
190.04927	1.7
193.04977	2.1
194.05426	3.0
202.05106	24.5
203.05357	2.3
204.06688	1.8
214.05080	8.3
232.06195	4.4
249.55186	1.8
310.09323	100.0
311.09760	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	310.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00595	1.5
59.01378	27.5
59.01686	1.3
66.82925	0.7
68.14449	0.7
71.01384	22.5
71.64049	1.2
72.06239	0.8
72.90967	0.8
72.99308	0.9
74.10487	0.6
74.70297	0.7
75.00854	0.8
78.95886	1.1
80.03492	0.7
85.02953	1.8
87.00894	1.2
89.02454	30.5
95.01352	0.8
101.02459	6.8
105.01932	1.2
113.02436	7.1
119.03516	5.0
130.08755	100.0
131.03558	1.4
131.09099	3.5
143.03497	1.9
149.04546	0.8
161.04587	2.9
179.05637	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	311.0805
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03161	0.6
52.76405	0.7
55.01875	1.2
57.03427	0.7
58.00579	1.3
59.01378	42.3
60.01689	1.2
61.98826	1.5
63.95098	0.7
70.16135	1.2
70.16531	3.5
71.01015	1.2
71.01382	19.2
71.01773	1.1
72.01739	0.7
72.99303	2.6
73.02950	2.3
75.00875	1.4
78.95892	1.1
83.01405	4.9
85.02956	5.4
87.00853	1.8
89.02451	12.9
95.01386	1.6
99.00902	1.3
101.02451	14.1
109.02894	1.1
111.72969	0.8
113.02460	7.0
119.03519	7.2
131.01758	5.0
131.03441	0.9
133.03021	1.2
135.04515	1.7
149.02794	37.6
149.04535	4.0
149.06042	1.4
150.03030	0.9
156.66821	0.7
161.04591	1.7
163.03937	0.7
165.04141	0.8
177.05528	5.2
183.47978	0.7
189.05576	2.3
191.03702	1.3
221.04568	1.3
244.98036	0.7
251.11346	2.0
311.08047	100.0
311.29553	1.9
312.08368	6.9
322.41168	0.8
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
57.03441	1.3
57.34690	0.7
59.01389	1.5
64.62405	0.7
67.01898	1.7
68.87970	0.7
81.87536	0.7
83.04996	0.7
83.86311	0.7
95.62963	0.7
97.06599	1.3
98.20705	1.1
111.08167	2.0
119.69852	0.7
121.10249	10.3
122.10624	0.8
125.09742	6.5
137.09749	4.6
148.34760	0.7
159.70532	0.7
167.14407	1.0
171.10297	9.2
177.12881	1.0
185.11896	11.0
195.14038	1.7
197.11826	2.0
209.11858	1.5
211.13414	61.2
212.13744	4.4
219.06734	1.0
221.08186	3.0
225.14928	0.7
238.04866	0.8
247.20506	1.0
273.18567	1.2
277.10742	1.5
291.19653	100.0
292.19989	12.5
309.13361	3.3
309.20633	4.9
316.53128	0.9
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
57.03435	3.4
59.01357	2.0
67.01900	1.3
69.03443	3.8
70.32277	2.3
70.32669	1.9
71.05016	1.4
83.05023	3.0
97.02355	1.8
97.02958	22.5
97.06625	2.0
109.06610	1.4
119.08676	1.6
125.09713	2.8
137.09734	4.3
149.45067	1.4
163.11305	2.6
165.09174	1.2
165.12845	10.0
166.10037	1.3
167.10806	1.1
171.10274	11.4
177.13037	1.4
179.14394	1.8
181.12337	3.2
193.12296	5.4
193.15941	2.3
195.13922	3.8
197.11787	2.1
207.10217	1.3
209.11835	3.7
211.13420	3.4
217.15869	1.2
221.15463	3.1
223.13348	3.1
226.59351	1.4
227.12885	9.1
239.16631	1.4
247.20663	7.3
251.16449	1.0
273.18552	5.0
274.46811	1.3
291.19653	100.0
292.19998	10.8
309.20697	87.4
310.21048	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	1.6
63.15018	1.3
69.03466	1.7
70.85929	2.8
75.96989	1.2
83.05061	1.6
89.44955	1.3
97.06560	1.8
97.55222	1.4
109.06585	2.5
111.08168	31.5
112.08493	1.4
119.08647	3.4
123.36591	1.4
127.07674	2.1
137.09735	13.3
169.12367	6.7
171.10284	18.6
181.12274	2.6
185.11792	1.8
197.11839	100.0
198.12090	7.7
199.13451	3.5
207.13799	2.1
207.20168	1.5
209.15494	8.4
211.13376	9.9
223.16861	1.8
225.14946	4.7
227.12857	4.8
229.19479	1.6
233.15405	1.5
251.16451	5.9
263.20087	4.8
265.18054	4.0
273.18558	3.6
291.19656	28.5
292.19891	3.9
309.17206	4.2
309.20657	54.2
310.20996	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	309.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41853	0.6
55.01870	0.9
57.03451	1.3
58.00608	1.3
59.01387	2.9
63.34245	0.7
69.03473	2.0
71.12989	1.6
83.05015	1.1
97.06608	0.7
109.06631	1.9
111.08176	25.1
112.08556	0.7
119.08720	2.5
127.07706	2.1
130.81917	0.6
137.09741	4.5
151.04033	0.8
151.07628	1.5
151.11298	2.1
152.08461	1.3
153.09326	0.9
153.12932	1.6
155.10826	0.7
167.10802	1.4
169.12372	7.1
171.10309	12.0
181.12361	2.7
183.13937	1.8
185.11909	3.1
193.12392	0.9
197.11847	100.0
198.12222	5.3
199.13432	2.1
201.11327	1.2
209.15506	2.3
211.13388	12.3
221.36324	0.7
225.15019	3.1
227.12888	3.0
247.20763	1.0
263.20120	5.9
265.18063	2.9
273.18582	3.3
291.19641	24.1
292.19958	3.2
309.17078	3.7
309.20663	51.3
310.20972	4.2
322.60590	0.8
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	6,9-Octadecadienedioic acid
Peak:m/z	Relative Intensity
55.01860	1.1
57.03444	4.2
59.01380	5.0
60.28345	0.6
69.03464	1.7
69.89008	0.9
70.65380	0.7
71.05022	33.2
71.65807	1.6
73.55347	0.8
83.05037	1.8
95.05031	1.8
97.06600	9.5
107.05053	1.6
117.73679	0.7
119.08705	1.9
121.10258	8.2
123.08175	2.9
125.09750	7.4
127.11261	2.0
135.08159	2.8
137.09740	37.6
138.10172	0.8
141.12904	1.8
144.34697	0.8
155.55840	0.8
162.03230	1.1
162.06818	0.9
171.10286	100.0
172.10643	6.0
181.12328	2.2
183.10211	1.3
185.11859	14.0
193.15807	0.7
195.14038	1.5
195.57794	0.8
197.11888	2.0
206.05890	0.8
207.13936	2.5
207.17529	1.1
211.13412	1.6
217.15977	1.5
219.06592	2.4
219.13933	4.1
221.08263	4.6
221.15456	1.2
233.15399	3.2
235.16962	4.2
237.14949	4.5
247.20735	2.2
251.16519	33.5
252.16846	2.9
263.20331	0.8
273.18640	2.8
277.10785	3.0
291.19656	89.4
292.19992	9.8
309.13547	5.8
309.20709	95.4
310.21024	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	309.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62473	1.2
54.09235	1.1
57.03436	2.3
59.01367	2.8
62.58236	1.6
69.03455	3.6
69.46107	2.3
69.46516	9.1
83.05051	1.5
107.08671	1.8
119.08683	15.7
121.10239	1.8
123.08175	1.3
125.09711	9.5
127.11328	1.8
135.08162	2.4
137.09735	28.9
151.11258	2.0
153.09236	2.1
155.10735	4.0
160.09825	1.2
167.10768	3.9
171.10281	100.0
172.10580	4.1
174.87100	1.2
183.10287	6.0
185.11819	20.6
186.12169	1.7
197.11937	1.8
201.11330	7.7
209.15459	1.9
211.13332	2.3
213.11304	10.4
226.36459	1.4
229.19533	2.6
273.18625	9.3
291.19659	38.9
292.19916	4.2
309.17282	2.8
309.20682	43.1
310.20972	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	309.2071
Annotation	Porrigenic acid
Peak:m/z	Relative Intensity
51.82266	1.0
55.28439	1.0
57.03445	3.2
59.01379	9.9
69.03442	2.2
69.99333	7.3
71.05019	1.8
87.04468	1.6
96.96001	1.3
97.06590	1.5
100.98435	1.2
107.08680	8.7
111.08153	1.0
119.08681	14.3
125.09760	2.9
127.11288	2.0
151.11261	2.8
153.09262	1.5
162.06885	3.0
171.10274	52.9
172.10648	1.5
175.14886	2.2
177.05603	1.4
183.10240	1.8
185.11836	4.9
195.13910	1.4
195.95872	1.4
197.11853	2.8
198.25974	1.1
206.05734	2.0
209.15414	1.3
211.13356	1.4
217.19646	2.4
219.06609	4.6
221.08182	7.9
229.19626	9.5
235.17021	1.3
238.04854	1.2
251.16536	7.1
261.18555	9.3
273.05157	1.3
273.18576	35.5
274.18973	3.3
277.10825	6.5
279.16818	1.1
279.19647	4.6
291.12479	1.7
291.19629	40.3
292.19968	3.5
302.02371	1.1
306.41031	1.1
309.13565	13.5
309.20679	100.0
310.13644	1.8
310.21039	11.3
322.11053	1.2
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
57.03434	3.4
59.01384	3.9
67.01894	1.8
69.03441	1.9
70.03595	1.3
70.04011	3.3
71.01383	1.3
71.04990	2.7
80.02682	9.9
81.03455	4.4
83.05031	27.1
84.02173	10.3
85.06557	1.0
93.03465	1.0
95.05010	2.3
96.96019	1.3
97.02985	1.0
97.06598	5.8
98.03732	1.0
98.19886	1.1
99.08163	9.2
109.06593	3.1
111.08168	1.5
113.09708	3.6
115.07657	6.3
117.54308	0.8
119.08653	1.3
121.28950	0.7
123.04491	3.7
123.05301	0.8
123.08124	1.5
125.02423	1.2
125.08942	0.7
125.09750	5.5
127.11307	6.3
135.08110	1.4
137.06064	1.0
137.09737	51.8
138.10052	1.4
139.07643	1.3
139.11307	9.0
142.02695	1.6
150.03246	0.9
151.04005	1.8
151.07666	4.1
151.11266	4.8
152.08391	2.6
153.09242	9.6
153.12766	1.7
154.09991	1.8
155.10793	53.3
156.11072	2.7
165.12825	1.4
167.10796	4.4
167.14406	1.0
169.12357	1.7
171.10281	60.1
172.10551	3.2
175.11221	1.5
180.04196	1.1
184.07410	1.0
193.12347	30.3
194.12712	1.9
195.13786	2.0
209.11800	3.8
209.15396	3.6
211.13316	5.8
221.11838	2.1
234.12727	1.1
247.20738	5.6
263.16434	7.9
263.19955	6.0
265.17975	1.6
265.21658	6.8
273.18591	1.5
281.21140	2.3
291.16162	7.4
291.19617	100.0
292.20026	11.9
309.16998	11.0
309.20630	92.8
310.17780	1.5
310.21014	10.0
313.85455	1.0
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	12S,13S-Epoxy-9S-hydroxy-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
51.97188	1.4
57.03443	5.5
59.01378	8.2
59.19270	1.2
61.98817	2.3
65.13515	1.2
69.03463	2.3
69.68535	1.0
69.68835	10.6
71.01363	2.0
71.05035	1.7
80.02686	7.2
81.03477	1.8
83.05041	1.4
83.33993	1.2
84.02168	2.3
86.84535	1.2
91.39034	1.2
95.05038	1.5
96.96014	6.6
97.06579	3.8
98.20747	1.6
99.00866	1.8
103.50275	1.3
111.08155	2.2
113.09710	1.4
123.08187	16.5
125.09750	18.2
127.11297	7.5
135.08206	2.1
137.09738	12.2
139.11337	6.2
141.09288	1.8
149.09698	1.3
151.04005	4.0
151.07643	6.6
151.11299	4.0
152.08395	5.0
153.09196	3.6
155.10796	51.4
156.11147	1.7
165.12827	3.5
167.10777	5.5
169.12279	1.2
171.10281	100.0
172.10597	3.7
181.12323	4.1
184.10985	1.8
185.11838	88.2
186.12099	3.1
187.56520	1.3
191.10756	2.3
193.15971	2.8
209.11842	7.1
209.15416	8.0
211.13416	2.3
212.10498	5.5
247.20703	7.1
251.20015	1.6
263.20175	8.8
264.20560	1.2
265.18405	1.9
265.21716	5.6
273.18634	1.8
281.21176	16.9
283.71255	1.4
291.19635	41.5
292.19937	3.0
303.42389	1.4
309.17065	20.4
309.20682	48.4
310.17743	2.5
310.21045	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
55.63179	0.9
57.03422	3.0
59.01381	7.2
61.98819	1.2
69.03447	1.0
71.05094	2.9
80.02647	1.5
81.03453	2.4
82.98176	1.0
83.01389	8.8
83.05009	4.2
95.05001	1.9
97.06599	4.9
98.03693	1.5
99.00851	1.3
99.08146	1.5
109.06575	1.2
111.08171	1.5
115.07658	1.1
118.36785	0.9
123.04508	3.6
123.08164	5.5
125.08833	1.2
125.09730	13.4
127.11245	1.2
129.09184	1.5
135.08160	1.6
137.09662	2.1
139.11301	13.9
141.09166	1.9
148.05334	1.0
150.92821	1.1
151.03970	1.6
151.07652	2.5
151.11292	1.4
152.08412	2.8
155.10777	1.9
163.11307	6.3
165.11650	1.1
165.12874	16.0
167.10808	5.8
171.10286	7.9
175.11099	1.0
179.14354	1.0
180.11484	1.7
181.12358	2.9
183.13782	2.0
185.11746	4.4
191.10704	3.4
191.14432	1.2
193.16017	5.6
195.10233	1.1
207.10199	1.7
209.11841	67.3
209.15338	5.6
210.12215	6.5
219.17459	1.1
247.20674	15.1
248.20959	1.7
265.18250	1.9
265.21582	5.1
273.18558	4.6
281.21127	3.2
291.19650	100.0
292.19897	11.1
309.16965	8.5
309.20584	41.0
309.24197	2.6
310.20914	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	309.207
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78865	0.6
59.01371	1.1
71.46371	0.6
71.46722	0.8
80.96516	0.7
97.06578	2.8
113.09715	2.3
115.07645	1.4
125.06084	0.9
126.06872	0.8
139.11328	0.7
141.09178	1.1
151.07661	0.6
165.12819	2.6
167.10907	1.0
167.14420	1.4
174.90422	0.5
181.12349	3.4
181.23547	0.6
183.13918	0.9
184.29349	0.6
193.12367	1.3
195.13852	2.2
211.13345	3.3
213.14758	0.6
221.15494	2.4
239.12900	0.8
240.13649	1.5
244.84399	0.6
247.20631	4.6
248.20995	0.7
263.20248	0.8
273.18567	3.0
281.21225	1.5
291.19662	37.1
292.19919	4.1
292.22903	0.5
309.20697	100.0
310.20969	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	307.2643
Annotation	5(Z),14(Z)-Eicosadienoic Acid
Peak:m/z	Relative Intensity
59.01367	0.5
61.98830	1.1
70.88644	1.5
82.44560	0.5
85.82863	0.5
87.88484	0.5
91.42061	0.6
101.46248	0.5
101.63951	0.6
121.64632	0.6
147.12968	0.5
176.16162	0.5
179.03453	0.7
180.06712	0.6
307.26431	100.0
308.26755	10.6
310.39243	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0464
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17877	0.7
55.23823	0.7
59.01376	6.5
61.98822	1.6
63.35045	0.7
71.01407	4.2
71.67538	1.3
73.02950	37.0
85.02970	1.3
89.02464	3.6
99.00892	5.2
101.02453	2.7
112.98788	0.8
113.02490	1.8
115.00402	1.1
117.01955	100.0
118.02297	3.3
119.03513	1.8
123.94841	0.8
129.01974	1.5
138.19601	0.8
158.80005	0.7
309.11948	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	309.0616
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83558	0.8
56.05413	0.9
59.01385	5.3
67.79754	0.8
69.77950	1.3
69.78355	4.2
71.01379	24.6
75.68249	0.7
78.95906	2.2
80.96517	1.8
96.95979	1.2
101.02484	1.6
107.04994	1.1
115.00394	21.0
117.03497	5.8
118.98075	1.9
133.01453	39.6
134.03764	90.1
135.04112	3.7
147.06676	1.1
149.06097	6.0
178.02679	4.1
193.05069	100.0
194.05386	6.6
202.47337	0.9
309.09991	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	309.0616
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	4.7
69.49269	4.0
71.01385	24.1
72.01723	0.5
73.12976	0.3
76.55786	0.3
80.40060	0.3
89.03978	1.8
94.05025	0.4
101.92712	0.4
110.67197	0.4
115.00390	8.1
117.03481	8.1
131.53751	0.4
133.01440	2.1
134.03755	80.6
135.04088	4.3
137.02458	1.2
139.04056	0.6
149.06097	6.5
150.06459	0.5
175.49023	0.4
178.02725	5.6
184.97250	0.4
193.05064	100.0
194.05376	6.9
257.02502	0.4
292.54114	0.4
309.14377	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1191
Annotation	Abealpha1-3Manalpha
Peak:m/z	Relative Intensity
55.01873	0.9
58.00583	3.0
59.01379	74.0
60.01692	0.9
68.51622	0.6
70.66374	1.9
70.66725	0.6
71.01385	38.6
72.99298	3.4
73.02942	1.1
83.01388	1.6
85.02962	7.0
87.00892	1.0
87.04503	1.3
89.02453	40.1
90.02761	0.7
95.01396	3.0
101.02459	24.6
102.02792	0.8
113.02464	14.6
119.03519	18.6
129.05551	1.2
131.03513	0.8
134.03746	0.8
143.03572	1.3
145.09666	0.7
147.06688	1.9
149.04549	1.7
161.04564	1.6
179.05605	2.6
193.05060	1.0
261.92444	0.6
309.11911	100.0
310.12256	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	309.1344
Annotation	Lindenanolide G
Peak:m/z	Relative Intensity
57.03453	0.2
59.01381	1.6
61.98826	0.5
65.00327	0.2
67.01891	2.5
71.05033	0.2
71.72377	0.4
71.72755	0.3
74.39847	0.2
76.00503	0.2
79.05563	0.3
81.03474	0.3
83.05031	1.8
85.09904	0.2
87.04523	7.8
88.04883	0.3
89.03964	0.2
100.07666	0.3
107.01364	0.3
107.05042	2.1
121.86702	0.3
122.03751	1.2
131.05069	0.5
131.08673	2.1
133.06592	0.3
134.07405	4.2
136.05273	0.4
147.04549	1.2
149.02409	0.3
149.06065	0.3
151.07700	0.5
157.06596	1.0
160.75580	0.3
161.02460	0.7
161.06073	3.2
162.03241	9.6
162.06880	24.7
163.03752	0.5
163.07220	1.7
173.02463	3.7
173.06030	0.4
174.02959	0.2
175.04047	5.3
175.07649	13.1
176.04471	0.3
176.07999	0.7
177.05585	17.2
177.09145	3.3
178.06044	1.3
182.15489	0.8
189.05490	0.3
191.03532	2.3
193.08722	0.4
197.09750	0.6
199.07660	0.4
201.05574	0.9
205.05054	2.3
206.05844	17.3
207.06458	2.2
215.07204	0.4
215.10771	5.2
217.05051	13.3
218.05449	0.8
219.06618	57.0
220.06967	4.6
220.91151	0.2
221.08183	82.3
222.08530	6.3
229.08676	1.1
233.08206	0.5
233.11798	0.3
238.04825	23.9
239.05258	1.4
241.08696	1.2
247.09813	0.8
259.09735	14.9
260.10010	1.0
261.07614	1.2
273.11267	2.0
277.10791	62.6
278.08508	0.2
278.11111	5.6
291.12390	9.5
292.12726	1.0
309.13419	100.0
310.10193	0.6
310.13785	10.0
310.20056	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	14,15,-Bisnor-8(17)-labdene-16,19-dioic acid
Peak:m/z	Relative Intensity
57.03445	14.9
59.01377	20.1
61.98828	3.4
69.03452	4.4
70.08295	10.9
71.01386	16.2
74.45018	2.2
81.78255	2.5
83.05019	5.7
95.05042	4.0
97.06609	22.9
109.06590	4.5
111.08164	12.9
116.69337	2.4
123.04604	3.1
123.08090	3.8
125.09737	7.5
137.02394	3.8
137.06084	3.4
137.09683	4.1
142.71970	2.5
149.09738	5.8
151.11314	32.0
153.09253	5.4
153.12807	3.7
155.10869	11.9
163.11290	8.2
165.12888	32.4
167.10773	8.0
169.12320	4.7
177.12920	3.8
179.03468	5.2
179.10785	11.2
181.12335	41.7
182.75323	2.2
191.10777	22.7
191.14427	11.0
205.12306	3.9
209.11836	90.0
210.12160	3.6
211.13423	5.0
235.20723	2.4
239.09273	5.8
245.19087	42.3
246.19591	3.7
261.18698	2.9
263.20197	18.3
271.17029	2.9
279.19617	6.5
286.64392	2.6
289.18094	52.0
290.18381	4.9
307.19144	100.0
308.19406	9.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	17.4
59.01375	22.7
61.98830	3.4
69.03459	6.0
70.66776	3.2
70.84257	6.2
71.01382	19.2
71.05026	3.6
80.02664	5.1
81.03480	4.6
83.05025	6.3
84.89680	2.7
85.02956	3.5
85.90867	2.5
93.03426	3.4
95.05054	5.3
97.06599	25.3
106.04246	3.6
107.08620	4.9
109.06573	6.6
111.08163	14.8
111.65940	3.4
121.06606	11.0
123.04504	3.5
123.08187	4.6
125.09713	13.8
127.11338	3.3
135.08179	7.1
137.09660	4.6
149.09680	5.6
151.11311	30.6
153.09210	8.8
155.10739	12.6
163.11314	9.3
165.12885	44.3
167.10745	6.5
167.26776	2.7
171.10284	26.4
179.10847	13.4
181.12379	56.9
182.12683	4.4
185.11835	31.9
191.10800	19.7
191.14429	9.9
205.12315	3.6
209.09923	5.6
209.11839	100.0
210.12161	7.5
211.13336	11.8
212.10478	3.6
225.11264	4.6
235.20815	3.2
245.19118	41.4
246.19295	4.8
261.18597	4.9
263.20221	14.6
271.17087	3.4
279.19608	12.3
289.18094	51.2
289.84262	2.9
290.18381	5.7
307.19116	92.1
308.19461	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	307.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	4.0
57.03435	4.5
59.01382	7.1
61.98829	9.8
65.03963	60.6
67.01863	2.1
69.03463	4.9
70.12158	5.3
71.01374	2.9
71.04642	2.0
71.05023	40.6
75.29730	1.1
75.91483	1.0
80.02686	1.8
81.03450	3.0
83.05014	4.5
85.02969	2.3
93.03471	4.3
95.01408	4.3
95.05023	3.6
97.02962	1.3
97.06597	73.1
98.06921	1.3
98.19887	1.2
106.04287	1.1
107.05061	2.1
109.02954	8.6
109.06610	1.3
111.04529	6.4
119.08686	12.5
121.02922	3.3
121.06609	100.0
122.06925	3.6
123.00891	5.3
123.08167	4.8
124.01699	5.7
125.02452	2.7
125.09744	37.0
137.02449	4.4
137.09708	4.4
138.03293	1.1
139.04033	5.0
139.11269	1.2
141.12823	2.7
149.06061	1.6
151.11287	1.2
163.11258	1.2
165.12819	2.2
167.14362	1.6
175.03911	1.3
177.05574	1.4
179.03519	2.9
185.11839	81.3
186.12180	4.5
191.14401	1.1
193.04924	1.2
209.11818	36.3
210.12225	1.8
211.13403	37.2
212.13625	2.3
217.12317	2.2
223.13368	3.9
233.15269	1.7
235.13385	97.2
236.13742	7.8
249.14854	4.3
263.16339	1.3
289.14444	6.8
289.18060	24.2
290.18417	2.1
307.15509	11.3
307.19119	36.6
308.19376	3.2
327.96869	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1916
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
55.01865	4.0
57.03453	6.3
59.01374	9.9
61.98806	1.8
65.03963	58.9
70.89955	3.6
71.01395	1.7
71.05020	35.8
78.95898	1.4
80.02679	1.3
80.24826	1.3
81.03427	1.4
83.05015	4.8
93.03455	5.0
97.06599	70.0
98.06958	1.6
109.06611	2.6
117.07107	3.8
119.08679	18.6
121.06607	100.0
122.06939	3.0
123.08179	5.4
125.09737	42.2
134.41747	1.2
135.04506	1.2
135.08165	17.8
137.09734	4.3
141.12842	2.0
150.15170	1.4
163.11325	1.6
169.08676	1.5
171.10303	12.2
185.11841	82.2
186.12169	3.1
191.14401	1.4
203.80161	1.2
209.11821	36.0
210.12143	2.2
211.11459	2.5
211.13390	36.0
211.15407	2.0
212.13802	2.0
217.12231	1.4
233.15508	2.7
235.13383	93.4
236.13834	6.2
237.14897	2.5
245.19037	2.7
249.14911	5.0
271.16989	1.9
289.18091	42.0
290.18338	3.3
307.11600	1.5
307.19125	36.9
308.19412	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	307.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
56.62091	1.5
57.03430	5.0
59.01382	14.1
61.98834	2.0
69.03443	2.7
70.95988	3.2
70.96354	2.3
71.01384	2.3
72.73014	1.7
73.17586	1.9
80.02660	3.2
81.03442	5.9
83.01395	10.2
83.05012	3.9
85.02953	2.1
93.03461	2.5
95.05023	4.9
97.02949	5.3
97.06620	7.7
109.06590	2.9
111.08165	2.1
119.05026	2.3
121.06605	2.2
123.04568	10.1
123.08166	4.8
125.06110	2.2
125.09729	17.3
126.66199	1.6
135.04572	1.9
135.08179	2.7
137.09727	13.9
139.24855	1.6
141.12872	2.4
144.62688	1.6
151.11328	2.4
161.09755	3.5
163.07655	3.2
163.11304	16.6
164.08411	1.9
165.09204	2.4
165.12822	2.2
171.10254	2.5
177.12840	1.8
179.03508	1.9
179.10796	2.6
181.12386	3.0
185.11836	21.3
191.10770	3.3
191.14444	19.3
203.14432	1.5
206.28285	1.5
207.10271	8.2
209.11832	42.5
210.12178	3.4
211.13499	2.2
217.15990	2.0
225.11325	10.0
245.19066	38.7
246.19418	4.5
263.20087	2.5
268.13431	1.6
271.17032	4.9
279.19476	1.5
289.18088	100.0
290.18457	8.6
307.15616	3.1
307.19138	53.7
308.19455	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96793	0.3
57.03481	0.7
58.93532	0.2
59.01381	3.5
61.98866	0.7
69.03502	0.9
70.07200	1.5
71.01434	0.8
71.05019	4.4
80.02753	0.8
81.03467	1.7
83.05027	1.7
93.03539	0.4
95.05052	2.1
97.03001	0.5
97.06649	0.5
98.03752	1.6
106.04311	0.9
107.05105	0.4
109.02988	0.7
109.06606	12.6
110.06979	0.5
111.04539	5.7
111.05219	0.4
111.08202	1.1
112.05387	0.8
119.08669	0.2
119.50661	0.3
120.05897	0.6
121.06640	0.6
123.04618	0.4
123.08160	1.7
127.07667	3.2
129.09297	0.3
133.10287	0.4
135.04625	0.3
135.08275	0.8
137.06148	0.9
137.09807	0.8
141.09273	0.3
143.10843	1.4
145.06606	1.8
149.06131	0.9
149.09825	1.0
151.11354	0.6
163.11310	0.5
167.10793	2.3
177.09216	0.4
177.12912	0.4
179.03572	0.4
179.10863	1.2
181.12379	0.6
191.14438	1.3
193.12428	0.4
195.13930	4.4
207.17563	0.6
211.46390	0.3
215.14418	0.4
235.13478	2.2
245.19090	5.2
246.19418	0.5
249.15039	0.6
251.16458	1.3
263.20111	0.4
271.17053	0.9
273.14841	0.6
287.16415	1.7
289.18085	100.0
290.18420	10.1
307.15985	0.7
307.19128	10.2
308.19348	1.0
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
53.33688	1.0
57.03448	5.0
58.03349	0.9
59.01383	8.7
67.01890	2.3
69.03457	3.2
69.61475	8.3
71.01376	1.5
74.38246	1.0
79.95723	1.1
80.02673	2.2
81.03464	6.4
82.33409	0.9
83.01394	10.6
83.05036	4.1
91.90699	0.9
93.03477	1.3
93.92294	0.9
95.01415	1.2
95.05029	3.3
97.02952	6.2
97.06603	9.0
97.68131	0.9
102.83181	0.9
106.04259	2.1
107.05025	1.5
109.06590	3.6
110.03735	1.8
119.08672	1.1
121.06604	2.6
121.10268	1.6
123.04536	13.1
123.08230	4.9
125.06100	2.1
125.09731	23.0
135.04494	1.0
135.08162	2.6
137.06140	2.2
137.09744	13.1
139.11328	1.2
141.12863	2.9
142.02768	1.9
149.06081	3.4
149.09703	1.2
151.11301	1.2
160.08968	1.1
161.09727	2.5
162.10477	1.5
163.07703	2.5
163.11287	18.3
164.11630	1.2
165.09233	1.6
165.12820	4.3
167.10744	3.3
171.10304	2.1
173.09691	1.6
177.12837	1.4
179.10794	3.1
181.12369	4.7
185.11844	23.3
186.12219	1.2
191.10756	4.4
191.14447	22.4
192.14825	1.6
200.61528	0.9
207.10283	12.2
209.11841	55.5
210.12210	4.4
211.13400	3.1
217.16034	2.2
225.11313	11.1
226.12029	1.6
227.18013	2.2
233.15421	1.1
238.12146	1.1
245.19092	46.4
246.19441	4.4
261.18649	2.5
263.20081	5.0
265.18027	1.5
271.16962	6.2
279.19507	2.0
289.18082	100.0
290.18430	10.2
307.19128	46.7
308.19385	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	307.1399
Annotation	NSC-224070
Peak:m/z	Relative Intensity
55.01864	0.6
58.00585	1.4
59.01379	40.5
69.87430	2.8
71.01383	18.1
72.99313	2.2
73.02969	1.5
73.23121	0.6
73.97698	0.6
83.01389	2.1
85.02952	4.4
85.05631	0.6
87.00871	1.7
89.02451	17.4
95.01401	1.1
96.90646	0.6
99.00879	0.8
99.08167	18.3
100.08509	0.7
101.02460	11.9
104.22820	0.6
112.78422	0.6
113.02473	6.8
119.03507	6.5
127.07679	2.6
129.09219	1.8
135.04524	0.8
141.09253	1.3
145.08723	58.6
146.09038	1.9
161.04572	0.7
179.03490	1.2
179.05637	1.0
187.09810	1.5
297.78256	0.5
307.13989	100.0
308.14362	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.14
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01897	0.5
55.47790	0.5
57.03445	1.0
58.00589	1.4
59.01378	38.1
70.31527	1.0
70.31904	1.9
71.01384	20.7
72.99303	1.7
73.02966	1.3
80.07810	0.6
83.01382	1.9
85.02972	4.6
87.00877	1.6
89.02451	17.2
90.62588	0.5
95.01398	1.5
99.08170	23.1
100.08504	0.7
101.02456	14.7
102.02814	0.8
113.02452	9.4
113.09711	1.2
114.78310	0.5
118.88475	0.5
119.03519	7.1
127.07658	6.2
129.09224	1.5
135.04564	0.8
141.09216	2.4
143.03511	0.7
143.07152	0.7
145.08723	64.9
146.09082	2.7
161.04559	0.9
179.03560	1.1
179.05518	0.7
187.09743	1.6
222.58662	0.5
241.50162	0.5
307.13992	100.0
308.11227	0.9
308.14380	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	307.1399
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84053	0.6
52.86696	0.5
55.01885	0.6
57.03471	0.5
58.00593	0.6
59.01380	100.0
60.01710	1.2
61.98840	0.8
63.88945	0.5
70.00738	2.8
71.01389	8.7
72.99339	0.8
73.02964	1.3
83.01395	0.9
85.02986	1.5
89.02456	6.3
101.02470	5.1
109.06564	0.5
112.70647	0.5
113.02489	2.6
113.58231	0.5
119.03557	2.0
120.99677	22.6
127.07648	1.1
128.03587	0.7
135.04562	10.4
136.04871	0.8
145.08745	3.1
147.15733	0.4
151.12645	0.6
161.04665	1.4
179.03511	10.8
180.03711	1.4
244.48720	0.5
247.11768	0.5
265.12897	2.8
289.07162	0.8
307.08170	2.6
307.14011	20.5
308.14392	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1222
Annotation	Unknow
Peak:m/z	Relative Intensity
56.10052	0.4
57.03440	0.6
58.99582	0.4
59.01383	2.6
61.98836	0.9
70.87144	1.3
71.01389	1.1
73.02926	0.4
74.99112	0.6
85.02984	0.5
85.67422	0.4
87.00893	3.2
101.02438	0.8
119.05016	0.4
120.99674	6.5
125.43066	0.4
136.99167	0.6
139.11241	0.5
155.10803	5.8
159.49133	0.4
163.48241	0.4
167.10793	6.4
179.03500	0.4
183.10269	1.3
185.11845	47.6
186.12181	2.5
201.09552	1.2
219.10602	81.1
220.10918	4.8
233.04562	1.6
307.12207	100.0
308.12567	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	307.1186
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59441	0.6
59.01380	3.7
59.60072	0.5
61.98832	1.3
70.13894	0.5
71.01379	1.0
71.05392	1.0
71.05708	1.0
76.04016	0.6
83.75414	0.5
107.05029	1.0
109.02975	0.6
121.02958	0.7
133.02991	1.8
134.03751	1.0
135.04506	0.9
137.02414	0.7
145.02985	2.8
146.03752	7.3
147.04411	0.9
149.02496	0.9
161.02429	4.7
161.06160	0.8
162.03253	4.8
164.22610	0.5
172.05249	1.0
173.02484	0.9
173.06017	1.0
175.07684	1.5
176.01126	1.1
177.01944	3.2
177.05571	1.9
178.02711	1.5
179.03502	0.8
186.06841	1.9
187.07565	0.7
189.01939	33.9
189.05553	3.5
190.02512	2.6
191.03497	1.8
191.07069	1.0
193.05032	1.8
203.03502	1.0
203.07127	2.2
204.07907	3.8
205.05048	8.7
205.08170	0.9
206.05751	0.8
216.04269	0.8
217.05048	2.1
217.08665	0.7
220.07422	1.4
221.08112	1.4
230.05757	3.7
231.06618	17.8
231.10303	2.0
232.07042	1.6
233.04527	20.6
234.04919	1.6
235.05928	1.2
245.08228	2.5
247.06062	1.1
248.06883	36.9
249.07358	2.8
257.08029	1.1
263.09229	25.9
264.09634	1.5
265.25000	0.6
275.09171	5.6
277.07089	1.0
289.10669	1.3
307.11865	100.0
308.12054	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	307.1187
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56474	0.6
51.58311	0.7
56.42902	0.7
57.03456	1.2
59.01373	3.9
61.85342	0.7
71.05032	0.9
71.10548	1.4
72.74279	0.6
73.44299	0.7
83.01384	12.4
83.81512	0.7
87.04472	0.7
103.47635	0.6
108.02222	1.2
121.02987	1.0
122.03757	11.0
123.04562	1.5
124.01701	0.9
133.03020	1.2
136.01669	2.3
136.98830	0.7
137.02451	1.6
138.03236	1.7
139.04054	1.0
147.08189	1.8
149.02457	14.1
150.03242	33.9
151.04048	5.2
153.05592	1.6
161.09741	0.9
162.06885	1.4
163.04024	1.5
163.07687	1.3
164.04849	6.6
165.05588	46.0
166.05957	2.3
173.02455	1.8
174.03172	0.8
175.00395	1.2
177.01978	1.1
179.03523	1.7
189.05614	1.3
190.06383	6.9
191.03529	18.6
191.07100	5.8
192.04289	21.8
193.05042	8.7
205.08710	21.7
206.09090	1.5
207.06635	47.9
208.07335	9.4
214.06367	2.4
217.05133	1.8
219.06612	1.8
223.09764	97.2
224.10092	6.4
229.08702	2.2
231.06590	3.9
232.07341	1.9
235.06111	0.8
247.09734	10.0
249.07671	2.7
250.08405	1.1
257.08374	0.7
258.41434	0.7
265.10788	100.0
266.11151	8.5
275.09204	6.2
289.10709	0.9
307.11871	43.9
307.19150	2.5
308.12253	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	307.1188
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.1
61.98839	0.9
65.10608	0.4
70.58163	1.3
73.72767	0.4
79.05526	0.3
81.41071	0.4
90.72066	0.3
93.73863	0.4
107.05032	0.9
121.02987	0.6
133.02957	1.4
145.03000	2.5
146.03754	7.4
147.04459	0.6
149.02475	1.5
151.03998	0.8
159.08153	0.6
161.02446	4.2
161.06099	0.8
162.03238	4.5
163.00369	0.9
163.04008	0.7
171.04631	0.5
172.05296	0.8
173.02493	0.6
175.03964	0.7
175.07619	1.0
176.01207	1.0
177.01939	3.7
177.05583	1.3
185.06044	0.9
186.06850	1.7
187.04019	0.7
187.07658	1.7
188.01205	0.7
188.04718	0.5
189.01944	27.4
189.05539	3.2
190.02635	2.8
191.03470	0.9
191.07181	0.8
193.05022	0.9
203.03499	1.2
203.07172	2.6
204.07913	4.0
205.05089	7.3
205.08298	0.5
206.05478	0.6
209.11891	0.5
215.03438	0.7
215.07019	0.4
216.04155	0.4
219.06685	0.7
220.07381	1.1
221.04535	1.2
230.05864	2.9
231.06612	22.7
231.10286	1.5
232.07065	1.4
233.04535	26.0
234.04878	1.4
235.06117	1.1
236.06931	0.5
242.53925	0.4
245.08275	2.7
247.06151	0.5
248.06879	34.2
249.07274	2.5
257.08112	0.6
263.09219	18.5
264.09589	1.6
275.09271	3.4
276.09753	0.4
277.07199	3.1
289.10776	1.8
289.18005	1.3
307.11859	100.0
307.19022	3.1
308.12204	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	307.1187
Annotation	Unknow
Peak:m/z	Relative Intensity
55.00301	0.9
57.03445	26.1
59.01376	8.7
67.01875	1.1
70.53775	1.9
70.54138	2.4
81.04600	1.4
93.03487	2.2
95.05025	1.8
96.96002	1.5
110.50614	1.0
121.02931	1.4
134.03667	1.7
135.04532	17.5
137.02536	1.1
144.20749	0.9
148.01678	1.5
157.06599	2.1
159.08142	3.0
160.05368	1.9
161.02483	5.5
161.06093	2.3
162.06863	2.9
163.00183	1.1
163.04056	7.4
164.04820	1.1
169.02962	1.9
171.04593	2.1
172.05321	2.5
173.02441	6.3
173.06085	4.4
175.03993	3.0
175.07617	4.0
179.03473	6.8
183.04471	1.6
183.08147	1.5
184.05347	2.0
185.02499	1.6
185.06093	2.1
186.06873	1.9
187.07707	1.7
189.01971	1.6
192.04292	2.9
197.02444	15.1
198.02695	1.7
199.04143	1.3
199.07550	2.1
201.05637	8.4
201.09236	17.6
202.05966	1.3
203.07086	1.5
203.10832	3.1
204.04298	4.3
205.05058	10.3
206.05823	2.7
207.06624	7.6
209.11816	2.0
211.07674	2.1
212.04797	20.5
213.05481	4.0
213.09221	3.5
214.06587	1.1
215.03511	3.0
215.07117	1.5
217.05055	21.3
217.08582	1.7
218.05559	1.5
219.06638	45.4
220.07001	3.2
227.07162	5.3
228.07616	1.3
229.05061	3.4
229.08733	3.2
230.05840	56.2
231.06300	4.6
231.10466	1.5
233.08153	3.6
238.04791	6.4
239.07111	8.2
241.05096	1.2
242.05942	1.9
243.06554	3.9
244.03740	3.9
244.07388	7.6
245.08180	100.0
246.08513	7.5
247.09912	2.5
257.08185	28.6
258.08398	2.2
259.06070	3.8
259.09692	8.1
261.07809	1.3
261.11349	2.5
269.18530	1.7
274.08493	8.0
275.09232	38.3
276.06528	2.0
276.09604	3.3
277.10803	69.1
278.11118	5.4
289.10809	17.4
290.10812	1.5
292.73297	1.3
307.11856	70.0
308.12244	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	306.9757
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57494	0.2
59.01359	0.5
61.98829	100.0
70.84328	0.6
73.66219	0.2
77.42372	0.2
78.68982	0.2
82.27890	0.2
89.92682	0.2
104.51737	0.2
121.02970	0.3
124.72014	0.2
141.58670	0.2
148.86137	0.2
161.98962	1.5
162.98418	0.9
163.98631	0.3
164.96405	64.4
165.96480	3.8
166.96744	0.2
206.97452	26.7
207.97545	1.7
224.60286	0.2
264.96561	0.3
306.97522	25.6
307.94342	0.3
307.97620	4.3
308.00815	0.3
308.62537	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0306
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00238	2.9
56.54950	2.1
57.03431	6.7
59.01374	8.8
61.98824	3.7
63.36626	2.4
66.20708	2.1
68.99570	10.1
71.01385	55.9
71.55421	3.4
72.99276	2.6
78.95915	5.6
83.01362	2.9
85.02959	7.0
87.00883	4.7
94.92524	2.8
96.96018	7.5
96.96981	11.8
99.00896	13.3
109.02934	2.5
111.00902	17.1
112.98814	48.1
115.00386	100.0
116.00729	3.2
124.98865	3.4
128.03578	3.9
129.01936	7.8
133.01428	4.8
133.05089	16.9
134.28543	2.2
135.04512	19.0
137.72578	2.2
142.99879	59.3
173.00935	36.9
179.03470	16.0
187.96523	2.3
209.06654	2.3
286.06427	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	307.0306
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	2.8
59.01366	7.0
61.98818	5.6
68.99567	7.4
71.01385	62.1
71.03575	1.9
71.34039	4.4
72.01704	2.3
72.99324	2.9
83.01387	6.1
85.02956	8.8
87.00881	5.5
90.04413	2.4
96.06453	1.9
96.95991	6.6
96.96975	8.8
99.00900	14.7
101.02436	4.8
111.00869	18.1
112.98815	46.9
115.00390	100.0
117.66654	1.9
124.98830	3.1
127.19490	2.3
128.03592	4.4
129.01950	9.4
129.44957	2.1
133.01447	5.3
133.05072	11.9
139.24977	2.2
142.99879	56.6
172.99492	2.8
173.00919	41.5
209.06726	2.1
245.94379	1.9
324.87469	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0823
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56762	0.7
54.10020	0.6
59.01377	100.0
60.01720	1.6
61.98845	0.7
63.58807	0.7
69.55887	5.3
71.01411	1.0
72.04549	0.8
73.02933	0.9
78.02482	0.8
78.55038	0.8
80.96520	1.0
86.60662	0.7
88.04047	1.1
91.05547	0.8
93.04567	0.7
94.01477	0.7
96.96022	0.8
98.20619	1.6
99.92597	4.0
100.04057	6.6
115.05141	5.7
115.92103	2.1
118.30101	0.6
120.99683	2.1
123.25008	0.8
123.53725	0.7
135.04550	1.4
144.03043	2.7
154.06281	1.2
161.04544	0.9
176.07199	1.6
179.03590	1.2
185.11868	1.1
187.91298	0.7
209.11794	1.4
219.10748	1.4
235.10878	4.0
245.09410	2.0
263.10315	1.6
281.44589	0.7
307.06012	3.6
307.09323	1.0
307.12039	2.9
307.15604	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	305.2486
Annotation	5(Z),8(Z),14(Z)-Eicosatrienoic Acid
Peak:m/z	Relative Intensity
58.91914	0.6
59.01377	0.8
61.98823	2.2
66.76305	0.5
71.01377	0.9
71.37756	0.9
71.38097	0.8
75.44147	0.5
79.09013	0.5
96.48530	0.6
96.70975	0.5
108.80048	0.5
162.83949	0.7
179.88487	0.5
305.24854	100.0
306.25226	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	306.0579
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03225	0.3
59.25857	0.3
61.98830	100.0
62.29135	0.3
70.29758	1.0
70.30151	0.7
71.01390	0.9
73.43079	0.3
98.20024	0.5
99.00929	0.3
101.52572	0.3
101.98098	0.4
102.46597	0.3
112.98826	0.6
115.00393	1.7
121.96228	0.3
133.01460	1.1
142.99936	0.8
173.00922	0.6
199.66331	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.058
Annotation	Unknow
Peak:m/z	Relative Intensity
57.78340	0.3
59.01347	0.3
61.81704	0.3
61.98831	100.0
71.01404	0.3
71.16590	0.3
71.16974	0.7
74.61418	0.3
80.18765	0.3
80.38508	0.3
88.96278	0.3
99.00847	0.3
101.02467	1.4
115.00426	0.4
130.08789	1.3
142.99936	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.1195
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	5.0
61.14026	0.5
61.98830	100.0
70.57246	0.5
70.98370	1.0
70.98746	1.1
71.01415	0.5
88.30187	0.4
106.26379	0.4
128.03564	0.9
135.04594	1.0
139.11313	1.3
143.04666	2.2
149.02487	1.9
153.12769	0.5
160.89214	0.7
163.89929	0.5
179.03502	1.6
181.12387	0.6
183.10292	1.9
199.13396	0.5
219.14296	1.9
225.11365	0.7
233.04593	1.3
243.12367	13.3
244.12653	0.9
254.07964	0.8
271.69778	0.6
272.08932	0.6
288.13098	0.7
306.07785	1.2
306.14120	1.1
307.15790	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	306.1194
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	5.1
61.98830	100.0
69.74294	2.9
71.01402	1.5
73.02978	0.7
82.23151	0.4
85.02922	0.4
87.79155	0.5
89.02515	0.5
101.02474	1.4
107.05038	0.5
109.18655	0.4
113.02476	0.7
124.32472	0.4
128.03600	0.8
132.03044	0.5
133.02954	0.5
134.03688	0.6
135.04564	1.9
139.11327	0.8
143.04706	1.1
145.09459	0.4
149.02444	2.9
161.04655	0.8
164.07181	0.7
164.15402	0.4
167.74963	0.5
179.03548	2.5
181.12401	0.8
183.10272	2.1
199.13394	0.7
219.14351	0.7
225.11235	0.5
233.04572	1.5
243.09785	0.8
243.12354	13.2
244.10312	0.5
244.12782	1.3
264.70251	0.4
295.25995	0.5
306.07587	0.7
306.13818	1.0
307.08380	0.8
307.12076	0.7
307.15515	1.0
315.43063	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.1383
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54086	0.5
55.86125	0.7
58.53577	0.5
58.92310	0.5
59.01381	4.1
61.98844	0.7
70.56014	2.1
71.01374	1.0
77.41316	0.5
85.02951	0.7
86.02473	3.8
88.46731	0.5
89.02464	0.7
96.96027	1.6
98.19984	0.8
101.02443	1.0
118.98077	1.7
120.01250	1.3
120.97662	1.1
128.03532	1.1
133.02959	1.9
134.03752	1.1
135.04544	33.8
135.99213	0.5
138.05609	0.7
143.04602	0.9
148.53606	0.5
149.09747	0.7
155.10814	4.1
157.20634	0.6
161.02399	1.6
167.10809	6.8
176.89499	0.6
178.02736	0.6
179.03520	36.1
183.10356	1.6
185.11842	48.8
186.12225	2.2
201.09525	0.6
210.23976	0.7
219.10606	100.0
220.10933	5.7
289.07217	0.7
306.13821	73.2
307.08383	8.5
307.14096	5.7
307.88245	0.5
318.85803	0.6
326.37936	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1244
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05148	1.2
54.17499	1.1
55.01861	4.0
57.03441	4.2
58.00584	5.2
59.01378	100.0
61.98820	2.9
65.03953	1.8
65.97359	1.3
69.03458	1.5
69.57236	9.5
71.01386	68.0
71.05000	1.6
72.99303	4.2
73.02958	11.3
78.91888	3.7
78.95917	10.2
81.03503	1.6
81.07092	2.0
83.01400	10.1
83.05033	1.7
85.02960	26.1
87.00897	3.8
87.04540	1.4
88.04025	1.6
89.02456	57.0
90.02750	1.3
95.01375	3.9
96.95404	2.3
96.96021	27.5
96.96966	6.8
97.02946	2.6
97.06586	1.3
98.19875	1.5
99.00880	5.3
99.52385	1.3
101.02459	54.8
109.02938	2.0
111.00871	1.6
111.04502	1.3
113.01738	2.3
113.02473	29.3
119.03529	27.0
121.02950	1.4
123.04511	1.5
125.02442	2.0
125.06110	7.2
131.03503	2.8
133.02979	17.9
135.04541	20.9
136.04852	2.0
138.05609	3.6
139.03999	3.8
139.61273	1.6
141.09227	3.2
143.03506	3.1
143.04634	2.3
143.07222	1.6
149.02449	5.7
149.04497	2.0
150.03166	1.6
159.02985	1.7
161.04584	9.4
174.95061	1.6
177.01900	4.1
178.02698	2.8
179.03456	1.6
179.05641	4.5
225.11304	5.7
261.07709	1.4
261.13376	11.4
305.06891	36.4
305.12335	78.2
305.16049	14.8
306.07190	6.4
306.12350	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	305.1244
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05148	1.2
54.17499	1.1
55.01861	4.0
57.03441	4.2
58.00584	5.2
59.01378	100.0
61.98820	2.9
65.03953	1.8
65.97359	1.3
69.03458	1.5
69.57236	9.5
71.01386	68.0
71.05000	1.6
72.99303	4.2
73.02958	11.3
78.91888	3.7
78.95917	10.2
81.03503	1.6
81.07092	2.0
83.01400	10.1
83.05033	1.7
85.02960	26.1
87.00897	3.8
87.04540	1.4
88.04025	1.6
89.02456	57.0
90.02750	1.3
95.01375	3.9
96.95404	2.3
96.96021	27.5
96.96966	6.8
97.02946	2.6
97.06586	1.3
98.19875	1.5
99.00880	5.3
99.52385	1.3
101.02459	54.8
109.02938	2.0
111.00871	1.6
111.04502	1.3
113.01738	2.3
113.02473	29.3
119.03529	27.0
121.02950	1.4
123.04511	1.5
125.02442	2.0
125.06110	7.2
131.03503	2.8
133.02979	17.9
135.04541	20.9
136.04852	2.0
138.05609	3.6
139.03999	3.8
139.61273	1.6
141.09227	3.2
143.03506	3.1
143.04634	2.3
143.07222	1.6
149.02449	5.7
149.04497	2.0
150.03166	1.6
159.02985	1.7
161.04584	9.4
174.95061	1.6
177.01900	4.1
178.02698	2.8
179.03456	1.6
179.05641	4.5
225.11304	5.7
261.07709	1.4
261.13376	11.4
305.06891	36.4
305.12335	78.2
305.16049	14.8
306.07190	6.4
306.12350	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	304.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02974	39.5
59.03304	0.2
70.73460	0.4
168.13951	100.0
169.14302	6.1
212.12910	3.6
213.13168	0.3
223.48911	0.2
251.16974	0.2
304.19324	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1145
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	0.3
57.17686	0.3
59.01372	2.0
61.98827	0.6
65.99849	0.8
68.99802	0.4
69.03464	0.4
69.87041	1.6
71.01384	1.4
72.15275	0.3
73.02957	0.3
74.99100	0.3
75.80627	0.2
76.37351	0.3
82.02990	3.8
85.02969	0.3
89.02437	0.5
92.05083	0.7
94.02995	1.5
95.05025	0.3
96.04567	4.4
96.96021	0.6
97.02955	0.8
101.02445	0.6
113.02480	0.4
116.05082	0.5
118.98099	1.1
120.04578	1.2
122.02515	0.3
122.03748	4.1
122.06129	1.8
133.02977	0.7
135.04543	0.3
136.04073	1.5
138.05629	100.0
139.05992	3.7
145.07736	1.9
149.04832	0.5
150.05615	0.7
151.02390	0.3
159.09305	0.5
160.06442	5.1
160.07712	0.5
161.04727	0.5
161.07231	6.2
164.07224	0.3
169.75945	0.3
173.10828	0.6
174.05692	0.5
175.08769	0.7
178.08722	0.4
185.10814	0.5
187.08777	1.4
188.07231	1.1
189.06715	5.0
190.07114	0.5
190.08784	0.7
196.56799	0.2
199.23923	0.3
201.10378	2.9
202.08665	0.7
202.10478	0.4
203.08340	0.5
203.11942	2.3
216.10341	0.6
217.06186	0.8
218.06931	1.9
218.11766	1.5
229.09805	5.8
230.10027	0.4
233.09312	4.9
244.09866	0.9
245.09352	1.0
261.12430	11.3
261.15222	0.6
262.12811	0.7
277.11987	1.3
287.10382	1.3
287.13989	1.1
302.93723	0.3
305.11435	21.4
305.15201	0.7
306.11655	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
54.54338	0.6
57.03455	0.9
59.01379	100.0
60.01718	0.8
61.98834	1.6
71.01385	4.1
71.66361	0.9
73.02962	2.1
77.31178	0.6
83.01410	1.4
85.02977	2.6
86.26699	0.6
87.92521	0.6
96.96017	1.5
99.00911	2.3
100.25481	0.6
101.02469	5.2
113.02496	1.8
115.00408	2.1
116.05096	3.2
120.99674	11.3
153.00943	0.8
159.03082	0.7
159.10307	1.5
161.04607	2.8
215.05460	0.8
226.07680	0.8
231.72565	0.7
250.88115	0.6
259.10950	1.3
261.13382	9.8
263.11816	0.6
303.04218	4.1
303.09531	2.4
303.13776	1.0
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
57.03452	0.6
59.01377	100.0
59.89173	0.4
60.01713	1.2
61.98826	6.6
70.78059	1.5
71.01382	11.6
71.04296	0.5
73.02945	7.9
74.54952	0.5
83.01387	2.7
85.02984	1.6
89.02454	4.9
95.01383	0.7
96.96037	1.1
99.00903	0.6
101.02451	8.4
108.49952	0.4
113.02458	3.2
114.74358	0.4
119.03527	1.3
120.99661	5.8
121.02969	2.4
125.02516	0.6
131.03543	0.6
136.07831	0.5
148.82130	0.4
156.27840	0.5
171.62427	0.5
181.07269	0.9
185.11926	2.4
196.39622	0.5
200.09538	0.5
214.25496	0.5
215.07385	0.6
302.69052	0.5
303.04996	0.6
303.08868	1.0
303.14243	1.7
303.22000	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.145
Annotation	Urechitol B
Peak:m/z	Relative Intensity
56.19347	0.6
57.03441	4.1
59.01377	69.0
69.68362	1.5
69.68774	1.9
69.71718	0.5
79.39521	0.6
80.40199	0.5
83.05042	4.6
87.00893	2.0
87.32595	0.5
95.05053	1.1
97.06596	3.5
99.04523	10.5
107.05061	1.4
110.03734	1.6
111.08137	1.1
119.13525	0.6
123.08157	3.8
125.06107	17.8
126.06458	0.7
141.09235	0.9
142.76485	0.6
160.73631	0.6
163.11252	3.2
165.09230	3.2
167.07169	5.3
181.12357	1.5
185.08197	21.9
186.08525	0.9
207.10226	1.5
223.13383	2.8
225.11313	14.6
226.11519	0.8
241.14488	1.9
243.12363	19.6
244.12857	1.2
261.39227	0.7
267.12262	1.3
285.13449	8.9
286.13580	0.9
303.14474	100.0
304.14862	7.9
308.39853	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1449
Annotation	Creoside I
Peak:m/z	Relative Intensity
57.03452	3.6
57.24461	0.6
59.01377	79.6
60.01699	0.9
69.91834	3.7
71.05010	0.9
73.02941	0.7
76.93346	0.6
81.03453	0.6
82.70436	0.5
83.05028	4.0
87.00895	2.2
89.67932	0.5
95.05027	0.7
97.06622	4.5
98.36125	0.6
99.04531	11.9
102.86980	0.7
107.05025	1.2
110.03761	2.0
111.08148	1.0
123.08173	6.1
125.06094	20.8
126.06400	0.8
126.35616	0.7
127.52531	0.6
141.09261	2.2
145.51392	0.6
151.11324	0.6
163.11314	3.3
165.09236	3.6
167.07173	4.5
181.12332	2.2
185.08200	23.9
186.08618	1.2
207.10231	2.0
222.82271	0.6
223.13425	2.7
225.11327	14.3
226.11591	1.0
241.14423	1.8
243.12372	19.7
244.12698	1.3
285.13397	12.6
286.13763	1.0
303.14487	100.0
304.14761	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	303.1352
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39341	0.7
59.01379	50.2
61.98806	1.1
63.84090	0.8
69.45901	5.2
69.54092	0.8
71.01385	5.4
72.99313	4.8
74.99097	1.4
75.00893	4.6
79.94602	0.8
84.04566	1.3
87.00849	1.1
89.02431	3.6
96.04562	2.8
97.02936	0.9
97.06588	2.4
98.06113	1.1
99.00873	1.7
101.02409	1.0
104.32541	0.8
106.66476	0.7
107.03794	2.7
107.05021	1.7
108.04569	25.1
109.06574	2.3
110.03732	1.0
111.08183	4.3
112.98846	4.1
117.01978	1.2
121.05347	1.8
121.06616	2.1
122.06138	62.2
123.06471	2.1
123.08170	2.0
124.01667	2.0
124.07700	61.5
125.08022	2.9
130.08775	8.7
134.06180	1.3
135.03009	1.8
136.07701	81.3
137.06241	1.0
137.08020	3.2
138.09308	0.8
139.07672	9.5
141.09158	0.9
142.58209	0.8
142.67584	0.8
142.99876	14.6
149.06081	3.8
153.05585	1.2
161.07222	1.2
167.05847	2.7
167.07143	11.0
168.06677	100.0
169.07024	3.6
173.00903	3.1
173.13292	1.0
174.01669	5.1
180.06697	8.5
183.06541	1.2
185.11800	2.2
188.10745	1.0
193.05150	1.2
211.06108	1.4
213.07678	3.6
215.08226	0.9
216.13921	5.5
219.18735	0.9
225.07610	1.5
230.10559	1.1
231.11351	2.3
241.13477	1.2
243.08858	1.2
243.11211	4.4
259.14557	7.6
285.12494	1.9
299.39893	1.0
303.13553	56.9
304.13901	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	302.0662
Annotation	Unknow
Peak:m/z	Relative Intensity
53.61996	4.8
54.37058	4.8
59.01376	5.0
61.98531	8.6
61.98830	100.0
69.98874	16.5
69.99290	10.0
71.01384	17.1
73.02955	10.4
78.95908	13.3
81.27618	4.8
85.02954	4.9
87.00889	17.2
92.92808	19.2
94.92498	16.0
96.96987	13.1
98.20560	6.6
117.01958	15.1
122.01612	4.5
122.02476	10.7
127.67663	4.3
128.03577	6.9
133.01427	12.2
134.04724	10.8
135.91862	4.5
139.04013	38.6
140.04366	44.4
148.52919	4.7
160.67123	5.4
186.12593	6.1
228.90695	12.3
228.92805	9.0
228.97560	11.8
284.12549	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	303.1086
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67219	2.1
54.02246	2.0
58.00596	3.0
59.01376	100.0
60.29402	2.4
61.98836	10.8
71.01379	24.7
71.71173	3.3
72.99307	39.9
73.02943	3.1
75.00878	16.9
79.05560	4.5
83.01406	3.4
84.02186	3.0
85.02986	2.8
85.92448	1.8
87.00879	4.4
89.02452	47.3
97.02991	2.3
97.06603	18.0
99.00886	9.7
99.04527	3.3
101.02434	5.0
105.94194	2.2
106.34789	2.0
107.05056	2.5
107.69918	2.0
108.04544	2.0
109.06593	6.6
110.03751	2.1
111.08187	11.3
112.98792	10.2
115.00356	2.3
117.01945	24.2
120.05842	3.5
121.02907	2.4
121.06612	14.5
122.06136	20.6
123.08182	6.8
124.01698	7.3
124.07700	6.8
124.98823	5.8
125.06110	10.0
130.08759	6.5
131.05028	3.2
135.03043	12.6
135.04541	3.4
135.08188	3.2
136.07674	20.6
137.02411	3.8
137.06084	3.3
139.07639	15.9
141.03217	2.4
142.99875	72.4
149.06093	18.2
153.05591	16.4
160.39342	2.3
166.06288	4.1
167.07130	31.8
168.06659	8.6
173.00932	19.3
174.01697	21.4
179.07008	3.9
180.06721	2.9
181.08717	9.0
185.11844	8.3
187.09731	2.8
193.05086	8.1
211.06137	5.2
213.07729	4.2
213.11328	3.3
225.07668	27.4
240.02252	2.3
259.14676	2.7
285.64731	2.4
303.09763	4.2
303.13608	21.6
304.13608	2.5
313.22882	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	303.1352
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	45.3
61.98837	1.1
69.03463	1.1
69.82884	0.7
70.89434	1.8
71.01382	5.3
72.99313	4.1
73.02934	0.9
74.41132	0.8
74.99091	1.7
75.00871	4.3
81.03467	1.1
83.01414	1.1
89.02441	3.8
96.04575	1.9
97.06593	2.9
99.00854	1.2
99.42638	1.0
107.03776	2.8
107.05025	1.1
108.04570	22.5
109.06579	1.4
111.08164	3.5
112.98815	3.2
117.01974	1.7
121.05346	2.8
121.06554	1.4
122.06136	76.5
123.06479	2.9
123.08168	1.0
124.01672	1.8
124.07696	62.5
124.98813	1.5
125.06143	1.3
125.08025	1.4
130.08754	5.0
134.06117	1.1
135.02980	0.9
135.98355	1.2
136.07700	87.1
136.99138	1.7
137.06192	0.8
137.08043	2.8
139.07681	8.1
142.99883	12.6
149.06081	3.2
153.05580	1.0
155.07208	1.0
167.05862	4.0
167.07141	8.8
168.06674	100.0
169.06978	3.2
173.00940	3.0
174.01720	3.8
180.06671	13.2
185.11841	1.8
188.10873	1.8
193.05008	2.1
211.06111	1.7
213.07664	2.4
215.08144	1.3
216.13911	4.5
225.07664	2.1
228.08951	0.9
229.09918	0.8
230.10617	1.6
231.11478	2.1
243.08891	0.7
243.11201	3.7
259.14420	6.7
285.12335	2.4
299.25897	0.9
303.13510	51.2
304.13806	6.6
317.19788	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.202
Annotation	Koninginin G
Peak:m/z	Relative Intensity
57.03427	1.9
58.31506	0.5
59.01371	3.9
61.98830	0.7
69.88023	2.9
71.01395	0.7
83.05045	0.7
84.31960	0.5
95.05051	0.5
97.06629	0.7
102.05608	1.2
111.08157	1.0
113.09686	1.0
125.09684	0.8
127.11285	1.1
131.65338	0.5
141.12817	0.7
151.00310	0.7
153.45985	0.5
164.47543	0.5
178.99843	0.5
192.01317	0.5
200.04842	1.9
211.20593	1.0
221.19099	31.4
222.19427	2.0
229.08673	2.7
237.18549	1.9
239.20146	5.0
257.21255	1.8
265.18063	18.6
265.20911	0.7
266.18417	1.5
283.19153	20.6
284.19437	1.8
300.99844	3.1
301.03442	1.2
301.14529	3.1
301.20184	100.0
302.20560	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	301.2022
Annotation	Koninginin G
Peak:m/z	Relative Intensity
55.60450	0.5
57.03437	1.2
57.82965	0.4
59.01377	5.4
61.98821	1.1
69.03447	1.3
71.01375	1.1
71.05009	0.9
71.57590	0.8
72.99303	0.6
74.33408	0.5
83.01374	0.6
83.05020	2.0
85.02962	0.8
87.00857	1.1
95.05018	1.5
96.96010	0.8
97.06591	5.4
99.08166	7.8
101.02400	0.6
102.98603	0.7
107.01414	0.7
109.06621	1.3
121.02960	1.0
122.33649	0.4
127.07656	0.7
127.11292	2.1
129.09239	0.8
137.09689	1.5
138.09930	0.4
139.07707	0.7
139.11316	5.1
143.07133	1.1
151.00342	1.9
153.12880	0.5
155.10783	5.2
158.38223	0.5
165.09241	0.9
171.10262	0.8
178.99796	0.7
179.96463	0.5
181.08644	1.0
183.10266	26.7
183.13866	2.1
184.10588	1.2
201.11334	11.8
211.13412	1.2
241.14418	0.6
242.10526	0.6
257.12949	4.7
259.92856	0.5
265.18011	1.5
283.18979	0.6
300.99872	2.8
301.03513	3.7
301.20197	100.0
302.03851	0.6
302.20517	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	301.1195
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	2.9
61.98830	0.8
65.99856	0.5
69.39127	2.6
69.39555	1.4
72.93132	0.4
72.99406	0.4
80.88617	0.4
82.29339	0.4
97.61783	0.3
98.19945	0.9
118.06621	2.7
128.86658	0.4
130.08694	0.5
132.04538	0.6
146.02441	0.6
147.03310	1.7
148.04047	1.1
150.51785	0.3
150.67725	0.4
160.04059	10.2
160.05385	0.5
161.04842	100.0
162.05617	18.4
163.02773	1.0
163.05974	0.5
164.03561	6.3
172.09857	0.5
175.02768	8.2
176.03497	1.9
192.03059	12.2
193.03813	61.2
194.04245	3.9
208.02530	1.6
210.05437	0.5
219.13466	0.4
225.02827	0.7
225.56094	0.5
228.10283	0.4
240.10294	1.1
253.06163	0.7
271.10864	27.5
272.11221	2.9
283.10876	97.1
284.11212	9.2
284.55649	0.4
300.99884	1.5
301.11951	40.4
302.00418	0.4
302.12277	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	301.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28064	0.3
52.94694	0.3
59.01105	0.4
59.01376	3.9
61.98820	0.6
70.54328	1.0
78.83238	0.3
79.79378	0.3
89.02466	0.4
91.04022	0.8
97.02892	0.3
99.92596	0.5
102.05621	0.4
118.05070	0.4
121.02994	0.4
130.08774	0.8
137.02483	0.4
151.00363	1.0
165.12881	3.6
183.13918	100.0
184.14241	5.6
201.28792	0.3
209.11862	2.4
227.12856	5.8
228.13179	0.4
242.10632	0.5
257.12964	2.3
300.99924	2.0
301.03418	0.8
301.11331	0.7
301.16599	14.7
301.19824	0.8
302.17209	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1137
Annotation	Salidroside
Peak:m/z	Relative Intensity
54.73135	0.7
55.01865	1.5
56.57518	0.6
57.03434	1.7
58.00592	3.3
59.01377	79.9
60.01700	0.8
61.76145	0.5
70.31313	2.5
71.01382	51.4
72.99316	4.0
73.02947	2.2
74.98464	0.6
79.24648	0.6
83.01385	2.6
85.02951	9.7
87.00890	2.3
89.02449	71.8
90.02750	0.6
92.95305	0.7
93.03466	55.4
94.03812	2.4
95.01403	4.6
99.00868	0.8
101.02452	32.5
102.02789	1.2
108.02211	0.7
113.02460	21.9
114.02818	0.9
119.02772	0.6
119.03525	29.1
119.05025	34.6
120.03832	0.9
120.05388	2.0
125.02433	0.6
131.03517	2.6
137.02461	100.0
137.06065	2.7
138.02777	4.7
138.04680	0.7
138.05594	3.9
143.03513	3.4
145.02922	0.7
149.04555	1.3
159.12526	0.6
161.04607	2.6
179.05605	3.7
299.07947	1.4
299.11383	5.6
299.16440	1.5
299.25623	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1501
Annotation	Ficusolide diacetate
Peak:m/z	Relative Intensity
50.87711	0.4
54.34341	0.4
59.01378	100.0
60.01720	0.9
61.98852	0.4
64.31811	0.4
66.67230	0.4
69.71621	1.0
69.72028	1.9
71.01412	2.1
72.36632	0.4
73.02959	0.4
76.85493	0.4
80.96532	1.3
85.02975	0.4
87.00851	0.5
89.02474	1.3
98.19959	0.5
101.02451	0.7
101.73281	0.4
118.90595	0.4
119.03540	0.4
119.05099	0.6
136.05348	0.9
137.02498	1.0
137.06131	0.7
142.81325	0.4
150.96880	0.4
165.09288	0.5
167.44812	0.4
191.10849	1.8
209.11841	3.1
239.12955	2.6
252.72108	0.4
299.04269	2.2
299.11270	0.7
299.26129	0.4
306.11209	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0929
Annotation	1-beta-D-Glucopyranosyloxy-3-methoxy-5-hydroxybenzene
Peak:m/z	Relative Intensity
52.21603	0.2
59.01386	0.2
61.98829	0.6
62.43471	0.1
70.06020	0.9
75.04756	0.1
75.56831	0.2
84.59041	0.1
93.03465	5.1
94.03801	0.2
98.20666	0.2
121.02966	7.4
137.02466	0.3
139.04030	100.0
140.04359	4.0
165.01956	0.5
197.11819	0.2
208.52052	0.1
300.98962	0.2
301.09265	3.0
302.09628	0.3
319.98309	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	299.0773
Annotation	Pseudolaroside A
Peak:m/z	Relative Intensity
54.57615	0.2
59.01382	1.8
59.31259	0.2
65.03956	0.3
71.01385	2.5
71.40422	0.3
73.02958	0.6
83.01381	0.3
85.02953	1.2
89.02447	0.8
93.03466	57.3
94.03786	1.6
101.02466	1.2
113.02465	0.7
118.91921	0.2
119.03445	0.3
119.05048	0.5
137.02460	100.0
138.02791	3.4
138.05634	0.2
161.04546	0.5
299.07718	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0772
Annotation	Pseudolaroside A
Peak:m/z	Relative Intensity
54.59971	0.3
57.03439	0.4
59.01363	0.9
61.98811	0.3
65.03967	0.4
71.01375	2.7
71.55280	0.6
72.71057	0.3
73.02940	0.6
74.51172	0.3
78.95908	0.9
83.01416	0.3
85.02953	1.3
88.60574	0.3
88.98811	0.6
89.02458	0.3
93.03466	58.8
94.03791	2.1
101.02454	1.2
113.02442	0.7
137.02460	100.0
138.02806	4.0
187.17047	0.3
240.81616	0.3
299.07816	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	299.0903
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91562	3.8
57.03434	3.8
59.01379	100.0
69.63947	9.5
69.64352	20.8
71.01378	13.3
75.00900	3.3
79.55014	3.3
89.02438	13.7
91.34255	3.4
98.20581	7.7
101.02485	7.2
101.06090	10.3
119.03523	4.6
123.04498	5.4
137.02431	11.0
137.06120	3.7
138.01988	17.7
138.05632	6.9
139.41716	3.6
140.10759	3.8
145.03003	12.8
162.02884	4.1
181.03149	4.4
191.10521	3.4
298.05984	3.7
299.05573	4.4
299.08521	4.9
299.11337	8.1
299.16324	15.6
299.25970	6.4
319.06342	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	299.093
Annotation	CHEBI:70653
Peak:m/z	Relative Intensity
57.03450	0.5
59.01374	5.4
61.98824	0.8
69.03457	0.8
69.48215	1.0
69.48621	3.1
71.01369	0.8
73.70535	0.4
85.02944	2.3
85.09750	0.5
89.29050	0.5
91.05542	0.6
93.03504	0.8
95.05057	1.0
97.06609	1.9
99.00937	0.7
99.08176	0.8
101.14257	0.6
104.03495	0.7
105.03485	0.7
107.05054	2.6
117.03481	1.1
119.05041	0.5
121.03014	0.6
125.06075	0.6
133.02971	5.8
134.03813	9.4
135.04538	100.0
136.04872	6.9
137.02478	2.6
137.09726	0.6
138.02817	1.4
138.05533	0.9
139.04042	1.1
143.07173	4.0
145.02995	2.0
149.09686	0.6
155.10767	0.7
161.02475	3.1
174.99307	0.6
178.02716	0.8
179.03506	78.6
180.03845	8.3
183.10229	2.8
193.08607	0.7
201.11406	1.3
216.09030	0.4
217.00308	2.8
237.18628	0.5
240.58894	0.5
263.16418	0.7
279.95721	0.5
299.09238	60.6
299.18726	20.1
299.25922	1.8
300.09570	5.1
300.18903	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1038
Annotation	Cribrostatin 3
Peak:m/z	Relative Intensity
55.07346	0.4
56.37866	0.3
56.98001	0.5
57.03441	0.6
58.74655	0.4
59.01374	4.4
61.31293	0.4
61.98786	0.4
65.03946	0.4
67.01871	0.4
69.24706	2.0
69.25139	1.7
70.87801	0.4
71.01377	0.6
74.02477	2.3
75.45004	0.4
77.03958	1.2
82.99627	0.5
87.00871	1.1
88.42579	0.4
93.03441	0.4
97.01170	0.6
98.20861	0.4
102.01466	2.3
104.05057	0.7
107.05012	0.4
108.04527	0.4
109.01150	0.9
109.02949	1.7
116.03520	1.4
118.06644	1.0
120.99633	1.6
122.01965	0.4
122.06115	0.7
123.02710	0.9
127.95016	0.3
133.06593	0.4
137.02432	0.8
139.02194	0.7
141.03773	1.6
145.02971	0.5
147.05670	1.8
148.01648	0.6
149.04286	1.2
160.04050	1.3
161.02444	1.1
161.04623	0.6
162.05554	1.4
167.01659	0.6
167.05385	1.6
169.03333	0.8
174.05632	1.0
181.07695	0.5
182.09796	0.9
183.06967	0.5
183.10254	0.5
184.07631	1.5
188.03558	1.6
195.06702	1.0
198.09314	0.8
199.04039	0.7
209.07254	0.9
210.05661	1.1
210.07967	3.4
211.02473	0.6
211.04347	8.1
213.05748	0.6
214.08720	1.0
219.06625	0.9
221.07138	0.6
225.10304	8.8
226.05106	0.7
226.08708	1.5
227.03763	0.6
227.05887	2.9
237.10464	0.5
242.08234	16.8
242.10736	0.9
243.02925	1.2
243.08524	1.3
251.04521	0.7
253.06200	2.2
254.06947	1.4
255.03006	0.7
255.11461	0.7
265.06183	0.7
266.06903	0.4
269.09293	100.0
270.09619	8.1
271.02493	4.2
281.09302	8.5
282.09775	0.9
299.02475	3.2
299.10373	90.9
299.25601	0.9
300.02823	2.6
300.10693	7.4
300.14514	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	297.1708
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	5.1
59.01379	56.0
60.01702	1.1
61.98830	1.3
65.18091	1.1
67.01885	1.3
69.03453	3.6
69.51914	2.8
69.52335	6.4
71.01385	5.3
71.05019	4.4
73.02933	2.7
80.02684	2.0
81.03458	5.4
83.01379	3.4
83.05029	37.4
84.02164	3.4
84.05353	1.7
85.02958	2.8
85.06597	2.1
89.02438	2.1
93.03452	1.0
95.05023	7.8
96.95970	1.4
97.02938	1.7
97.05994	1.3
97.06601	18.4
99.00852	1.6
99.08160	2.4
99.98524	1.0
101.02433	1.7
106.04242	1.8
107.04993	2.1
109.06604	12.9
109.30137	0.9
111.04530	1.4
111.08144	1.7
113.09769	1.6
115.07645	1.4
121.06613	1.9
123.04519	1.2
123.08152	4.3
124.05271	1.1
125.06071	2.3
125.09702	1.2
127.00395	1.8
127.07663	6.2
130.03264	0.9
134.03665	1.2
135.04567	1.3
135.06581	1.1
135.08176	15.9
137.09763	7.0
139.07643	1.8
139.11386	1.5
143.07161	9.6
149.09686	3.0
151.07669	1.0
153.09248	2.6
155.07135	2.9
157.08644	5.9
161.04596	1.4
163.07571	2.3
163.11287	2.0
165.09267	1.6
169.08707	5.9
171.10263	1.2
177.12816	5.4
178.02708	1.3
181.08711	100.0
181.12233	3.1
182.09055	5.2
183.10262	9.5
189.00414	1.3
199.09775	7.5
209.08093	1.1
209.11815	2.3
210.08968	7.2
211.09624	2.4
211.13361	1.9
217.15973	7.4
221.11775	2.4
235.16891	1.5
237.09743	5.3
261.14850	3.0
279.16034	22.2
280.16464	1.7
297.08057	1.3
297.13730	3.4
297.17038	48.7
297.24295	16.7
297.27695	2.2
298.17413	4.2
298.24731	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	297.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03477	3.1
58.02975	100.0
59.01377	70.4
61.98822	13.4
67.24413	2.9
71.01377	16.0
71.61475	5.3
71.61836	3.1
72.00900	3.2
77.63005	3.2
85.02952	3.9
88.04064	14.3
89.02429	3.6
101.02457	8.0
102.05606	9.4
104.07137	2.9
109.02962	3.5
112.98563	3.9
113.02438	3.9
135.04558	5.3
137.80870	2.8
137.81944	3.0
158.93918	6.0
161.04546	4.8
167.09016	13.3
179.03416	4.4
195.13890	3.2
210.22247	8.6
211.13303	3.5
236.19966	6.7
237.09798	17.4
253.22823	27.8
253.25061	4.7
254.21223	13.7
279.19730	11.0
297.11539	4.3
297.21484	22.0
297.24683	37.4
297.27762	6.5
298.20230	8.1
298.24310	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	297.2436
Annotation	Ricinoleic acid
Peak:m/z	Relative Intensity
56.57962	0.1
59.01377	2.9
61.98807	0.3
69.55186	1.7
71.01380	0.7
83.59148	0.1
98.20631	0.3
113.02429	0.3
115.00404	0.9
119.05072	0.2
145.25630	0.2
183.01208	2.7
184.01909	0.6
216.00986	0.3
237.09766	0.6
251.23817	1.2
271.93790	0.2
279.23343	1.0
295.22791	0.9
297.15344	7.0
297.24341	100.0
298.15619	0.5
298.24667	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	299.0774
Annotation	Pseudolaroside A
Peak:m/z	Relative Intensity
59.01382	0.9
61.98833	2.3
65.03941	0.3
71.01391	1.2
71.03765	0.3
71.04121	0.5
73.02941	0.3
74.38416	0.2
82.79929	0.2
83.01409	0.2
85.02975	0.6
93.03470	81.3
94.03806	2.9
99.00947	0.3
113.02453	0.3
121.03017	0.2
137.02464	100.0
138.02806	4.1
146.96744	0.2
179.03485	0.5
185.59517	0.2
217.00348	0.2
227.71500	0.2
254.83511	0.2
299.07806	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1398
Annotation	Unknow
Peak:m/z	Relative Intensity
58.63600	0.6
59.01379	100.0
60.01707	0.9
61.98837	1.5
69.38388	6.0
71.01377	5.0
73.02950	1.1
74.99110	1.4
75.00871	0.7
82.58415	0.5
85.02951	0.8
89.02460	1.3
95.69109	0.7
101.02454	1.2
103.81363	0.6
113.02487	1.4
115.00391	4.1
133.01439	9.9
135.04556	1.1
135.41489	0.6
136.99222	1.2
161.04575	1.3
162.02486	0.6
179.03590	1.1
190.71451	0.6
235.08229	0.9
235.11795	3.2
235.23828	0.6
295.13055	1.1
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	(plusmn)12(13)-EpOME
Peak:m/z	Relative Intensity
51.38726	0.3
56.06563	0.3
57.03435	0.8
59.01364	1.4
62.95638	0.3
76.07050	0.3
88.02959	0.3
97.06577	0.4
113.09743	2.3
177.12871	0.8
179.14418	1.2
181.12338	0.6
181.97615	0.3
186.09393	0.3
195.13913	17.7
196.14275	1.2
259.20563	0.4
275.19989	0.3
277.21725	17.4
278.22003	1.8
288.02554	0.3
295.22794	100.0
296.19675	0.5
296.23126	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	295.2278
Annotation	9(S)-HODE
Peak:m/z	Relative Intensity
57.03422	0.7
59.01381	1.8
70.05150	2.0
70.05529	0.7
83.05010	0.5
99.08167	0.8
103.12528	0.4
116.93910	0.4
125.09721	1.4
127.11225	0.5
141.12836	0.9
143.40816	0.4
147.85384	0.4
151.11295	0.4
171.10277	35.6
172.10587	1.9
195.13934	0.9
221.41948	0.4
233.22699	0.5
247.33568	0.3
259.20557	0.6
277.21710	47.9
278.22046	5.4
295.22775	100.0
296.23111	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	295.2278
Annotation	Unknow
Peak:m/z	Relative Intensity
55.00743	0.8
57.03441	1.7
58.14235	0.7
59.01382	2.6
60.76108	0.7
69.03449	1.4
70.74388	1.7
70.74761	1.5
86.05440	0.7
99.08202	0.8
125.09724	1.1
127.11367	0.9
141.12819	1.1
171.10283	51.5
172.10623	2.7
183.10280	3.2
233.23019	0.9
249.36263	0.7
277.21713	57.6
277.60681	1.0
278.22076	7.9
295.22772	100.0
296.23102	13.1
311.08060	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1131
Annotation	2-Phenylethyl ferulate
Peak:m/z	Relative Intensity
50.33148	0.3
52.41119	0.4
53.98352	0.4
59.01372	3.8
61.98822	0.4
65.47511	0.3
66.51422	0.3
70.89722	0.8
71.01366	0.5
77.03977	0.7
89.03972	0.8
93.03481	0.4
95.05025	2.1
99.93559	0.3
105.03474	13.2
106.03766	0.4
109.03001	0.6
111.00861	0.4
121.02988	1.1
123.04535	1.5
128.88838	0.3
132.02184	2.1
133.02972	97.2
134.03798	14.7
135.04114	0.6
137.02461	5.8
139.04007	2.4
147.04533	0.6
149.02480	1.6
149.06113	3.5
150.03220	1.0
151.04060	1.0
160.01656	5.2
175.04079	2.9
177.01944	21.7
178.02721	14.5
179.03104	1.0
193.05063	14.8
194.05429	0.4
197.02513	0.4
217.19695	0.3
237.09845	0.6
254.09439	1.1
282.08960	100.0
283.09335	9.4
297.11316	92.1
297.24255	3.1
298.11658	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	297.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	17.4
57.03677	2.8
59.01380	92.4
61.98831	8.3
67.01881	3.1
69.03448	11.2
71.01386	17.3
71.05022	15.8
73.02934	12.1
83.01418	3.0
83.05035	6.8
85.02951	4.4
85.06573	6.0
87.04536	4.2
89.02454	7.0
95.05032	9.7
97.02971	10.7
97.06591	13.1
99.00934	3.2
101.02444	8.5
109.06606	37.9
111.08192	14.4
113.02431	3.1
113.70963	2.6
116.92867	4.4
121.10245	4.0
123.08153	10.9
125.06095	7.2
125.09707	9.7
127.00379	5.6
127.07644	7.1
135.04567	2.9
137.06136	3.8
139.11273	5.4
141.09268	6.4
143.07135	11.0
147.11841	4.3
149.09680	4.9
151.07649	3.9
153.09215	9.9
155.07146	10.0
155.10785	7.0
158.93974	4.1
159.11765	3.3
161.04575	6.5
163.11264	4.6
165.09268	4.7
169.08722	55.7
173.08182	23.5
183.10309	40.2
185.08241	3.6
189.00459	3.6
209.11859	5.4
211.13397	3.7
217.16002	12.8
226.01733	2.7
237.09830	19.5
261.14890	6.4
279.16037	3.4
297.11734	12.0
297.17081	100.0
297.24332	41.5
297.27728	4.5
298.17310	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	293.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	1.3
58.63073	0.3
65.16792	0.3
70.74290	0.4
70.74639	1.1
79.05125	0.4
88.94746	0.3
90.68520	0.3
97.06598	1.1
101.81090	0.3
106.80804	0.3
123.08119	0.6
125.09743	4.1
140.31334	0.4
141.12892	1.1
147.25691	0.3
149.09705	1.4
151.11357	0.4
156.51111	0.4
169.08717	0.3
185.11847	9.4
197.11845	2.9
239.08502	0.3
249.22266	0.7
275.20145	0.7
279.12943	0.4
293.21216	100.0
294.21558	8.4
294.24689	0.7
305.60883	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.7
57.74560	0.5
59.01395	3.9
61.98820	2.2
68.02537	4.1
69.03433	0.7
70.42168	0.4
71.01384	1.4
71.11172	0.5
71.69554	0.4
71.69944	0.5
72.70992	0.5
73.02905	0.4
80.35983	0.5
80.96525	2.4
82.96110	7.5
82.96916	1.0
83.05048	0.9
88.29600	0.5
103.90506	0.4
111.00919	0.5
118.05103	0.4
123.04552	0.6
123.08172	1.0
125.92148	0.4
136.08936	0.6
139.11249	1.2
151.11267	2.2
153.09296	0.6
153.12938	0.6
169.12387	2.4
177.09221	0.7
177.12840	0.7
188.58839	0.5
192.11533	0.7
193.16000	2.1
197.11844	32.0
198.12157	1.7
205.12242	0.5
220.14665	2.1
221.15480	4.9
222.15771	0.5
222.18745	0.5
231.21149	2.0
235.13573	0.5
236.10570	3.2
247.20877	0.5
249.18597	0.7
249.22369	1.1
257.19019	0.6
275.17017	1.2
275.20142	23.9
276.20486	1.6
293.21210	100.0
294.21524	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	293.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87473	0.2
57.03448	5.3
59.01376	5.9
61.53978	0.2
61.98835	1.1
63.98003	0.2
68.02529	0.6
69.03451	0.4
71.01376	0.8
71.26494	0.2
71.26849	0.5
78.38703	0.2
78.95907	0.4
83.05035	0.3
85.06617	0.4
95.05031	0.3
97.06604	0.6
100.89394	0.2
107.37325	0.2
109.06591	1.0
113.09738	21.5
114.10085	0.5
121.10245	0.5
123.08157	0.2
135.11816	0.3
139.11293	2.2
141.09183	0.5
149.00951	0.3
149.09735	0.6
160.86937	0.2
167.10788	2.3
168.16400	0.2
168.17877	0.2
171.10321	0.6
172.48410	0.2
177.12906	0.9
179.10771	2.0
185.11766	0.2
192.11635	0.2
195.13913	3.1
197.45421	0.2
217.07188	0.4
219.05719	0.3
220.14700	1.8
221.15450	3.2
222.15770	0.4
230.63901	0.2
233.10251	1.0
234.52034	0.2
236.10521	2.9
244.84869	0.2
249.22211	2.1
250.22328	0.2
250.67363	0.2
275.20160	1.9
293.21207	100.0
294.21567	9.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2485
Annotation	Sterculic acid
Peak:m/z	Relative Intensity
50.83365	0.6
58.71939	0.6
59.01392	1.5
61.98829	4.6
66.56524	0.6
68.99569	2.3
71.01391	0.8
71.26505	1.0
71.26823	0.9
96.96017	22.9
112.98569	2.3
152.40057	0.6
219.13632	0.8
220.14700	2.7
221.15440	5.4
236.10561	3.2
293.17941	18.4
293.24835	100.0
294.18207	1.9
294.25195	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	295.067
Annotation	Unknow
Peak:m/z	Relative Intensity
55.90850	0.4
59.01378	5.2
62.68394	0.3
71.01384	38.6
71.30805	0.5
72.01709	0.5
72.99338	0.4
73.02955	0.4
75.00890	0.4
76.57940	0.4
83.01402	0.5
89.02447	4.6
101.02457	1.1
113.02477	0.9
115.00385	100.0
115.04007	0.9
116.00714	2.3
116.07211	0.4
119.03494	1.1
132.61192	0.4
133.01450	7.4
133.05077	0.6
135.04529	1.0
142.99867	0.4
179.03534	0.7
179.05630	0.7
188.08261	0.4
189.00418	1.0
223.81282	0.4
279.52161	0.4
295.10309	5.9
295.13446	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1034
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85085	0.5
57.01602	0.6
57.03454	1.1
58.00597	3.0
59.01378	69.7
60.01710	1.0
61.98821	5.6
70.06239	2.2
71.01382	62.1
72.01717	1.3
72.99317	4.5
73.02946	1.3
74.99091	0.7
75.00919	0.8
78.95918	0.9
83.01391	3.2
83.05064	0.5
85.02956	6.7
87.00893	1.6
89.02451	45.3
94.95706	0.5
95.01390	3.3
98.20652	0.6
99.00906	0.6
101.02453	24.9
105.01928	0.5
113.02459	14.5
113.03608	0.7
115.00385	68.1
115.04011	2.1
116.00692	2.2
116.07238	0.9
119.03515	18.8
120.01248	1.2
131.03500	1.0
133.01448	7.8
133.05089	2.1
135.04544	1.2
136.94009	0.6
136.99121	0.8
138.13873	0.6
143.03545	1.9
145.99446	0.9
149.04514	1.5
156.99954	1.7
161.04520	2.8
171.01421	0.7
175.75024	0.6
179.05618	3.6
180.06752	1.1
190.96205	0.7
196.99458	0.6
216.94002	0.7
295.10342	100.0
296.10654	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1035
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74555	0.5
55.01860	1.0
56.41526	0.5
57.03429	0.6
58.00578	2.1
59.01378	66.1
60.01723	1.0
61.90246	0.5
61.98835	0.9
68.71037	0.5
69.71462	1.8
69.71898	2.3
71.01382	32.9
72.99311	2.0
73.02940	0.8
75.00826	0.5
81.87005	0.5
83.01386	1.7
85.02959	6.7
87.00879	1.1
89.02448	41.2
90.02766	0.9
95.01398	2.0
99.00877	0.7
101.02450	21.0
102.02872	0.5
108.55778	0.6
113.02456	14.3
115.00368	4.9
115.00932	0.5
115.04046	1.8
119.03514	19.0
129.36707	0.5
131.03543	0.7
133.01453	1.2
133.05087	1.5
143.03513	1.5
149.04599	1.1
157.68666	0.5
161.04549	1.2
163.61694	0.5
179.05635	2.6
221.51657	0.6
228.45619	0.5
295.10339	100.0
296.10715	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	295.14
Annotation	Unknow
Peak:m/z	Relative Intensity
57.86766	0.3
59.01380	100.0
60.01719	1.1
61.98836	5.1
71.01392	1.7
71.17237	0.5
71.17574	0.5
71.88792	0.3
73.02950	0.8
79.94366	0.4
85.02955	0.6
89.02464	0.5
94.70390	0.3
101.02458	1.7
104.81111	0.3
113.02513	0.5
115.00410	1.2
123.07764	0.4
131.07213	0.5
133.01428	2.7
135.04599	0.6
153.49789	0.3
161.04607	0.8
161.06010	0.4
200.42882	0.3
218.54019	0.4
235.11871	3.9
238.66209	0.3
287.05539	0.4
294.22226	0.4
295.13129	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2121
Annotation	9(S)-HOTrE
Peak:m/z	Relative Intensity
59.01356	2.1
64.67740	0.6
70.53236	1.9
71.70107	0.6
74.16008	0.6
121.10249	32.7
122.10570	1.6
125.09769	0.9
127.11275	0.8
171.10283	61.4
172.10568	1.9
177.16534	0.9
178.60789	0.6
185.11792	2.4
208.02878	0.8
231.21158	4.3
275.20151	100.0
276.20477	9.4
293.21216	61.5
294.21524	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	293.2122
Annotation	13(S)-HOTrE
Peak:m/z	Relative Intensity
51.38277	0.6
59.01363	1.0
70.14962	2.8
88.10094	0.5
98.19973	0.8
113.09748	0.7
121.10187	0.6
179.14401	1.0
195.13913	11.3
196.14417	1.0
196.43178	0.7
205.12323	1.1
205.15929	0.6
211.13336	0.8
223.13411	12.0
228.13663	1.7
256.13165	4.6
259.99921	0.5
275.20187	7.8
293.21219	100.0
294.21512	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	293.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	4.4
59.01375	3.4
61.38919	0.7
69.55093	4.4
75.23987	0.6
78.46607	0.6
88.78247	0.6
97.06590	1.0
105.22346	0.8
113.09742	9.3
121.10255	16.9
125.09713	1.4
127.11295	0.9
139.11279	1.9
164.05779	0.8
167.10767	1.5
171.10280	36.8
172.10585	1.8
177.16443	1.0
179.10815	1.3
183.10239	1.5
185.11841	3.5
195.13972	0.9
221.19032	0.8
231.21115	3.7
235.17010	0.8
249.22231	1.4
275.20139	47.8
276.20517	4.1
293.21201	100.0
294.21509	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	293.1243
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00589	1.4
59.01379	38.0
60.01722	0.6
61.98818	1.5
62.90531	0.4
67.03761	0.5
69.03493	0.5
69.56160	4.4
71.01387	19.9
72.99314	1.7
73.02942	1.1
76.23693	0.5
83.01406	1.8
85.02962	4.5
85.06595	14.0
87.00893	1.1
89.02455	21.8
95.01392	1.6
98.20741	0.8
101.02452	13.0
108.10717	0.5
113.02462	7.5
113.06076	4.1
114.02740	0.6
115.07659	1.6
119.03518	8.3
127.07693	1.4
131.07158	58.8
132.07494	2.1
133.02950	0.5
143.03526	0.6
149.04620	0.6
149.39742	0.5
161.44240	0.6
173.08229	1.9
179.05563	0.9
293.12418	100.0
294.12747	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.143
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86492	0.5
55.64149	0.4
59.01370	1.9
61.98846	0.6
70.90295	1.0
71.01388	0.5
75.37430	0.4
80.96523	0.8
86.42572	0.5
87.00879	1.0
89.21774	0.5
90.76503	0.4
96.04134	0.4
134.03761	1.0
159.08496	4.0
163.07663	0.6
165.07552	0.5
177.01889	0.5
178.02750	0.5
203.11180	0.5
205.12675	100.0
206.13036	5.6
207.06654	1.2
231.10313	0.7
236.10356	0.5
263.09308	0.5
275.09235	0.5
293.14279	90.7
294.14594	7.3
302.09390	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.7
57.74560	0.5
59.01395	3.9
61.98820	2.2
68.02537	4.1
69.03433	0.7
70.42168	0.4
71.01384	1.4
71.11172	0.5
71.69554	0.4
71.69944	0.5
72.70992	0.5
73.02905	0.4
80.35983	0.5
80.96525	2.4
82.96110	7.5
82.96916	1.0
83.05048	0.9
88.29600	0.5
103.90506	0.4
111.00919	0.5
118.05103	0.4
123.04552	0.6
123.08172	1.0
125.92148	0.4
136.08936	0.6
139.11249	1.2
151.11267	2.2
153.09296	0.6
153.12938	0.6
169.12387	2.4
177.09221	0.7
177.12840	0.7
188.58839	0.5
192.11533	0.7
193.16000	2.1
197.11844	32.0
198.12157	1.7
205.12242	0.5
220.14665	2.1
221.15480	4.9
222.15771	0.5
222.18745	0.5
231.21149	2.0
235.13573	0.5
236.10570	3.2
247.20877	0.5
249.18597	0.7
249.22369	1.1
257.19019	0.6
275.17017	1.2
275.20142	23.9
276.20486	1.6
293.21210	100.0
294.21524	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	292.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03422	0.4
58.02967	0.9
59.01376	4.2
61.98822	0.7
68.02530	1.5
68.99563	0.3
70.90794	0.7
70.91159	0.7
71.01411	0.5
97.06574	0.5
113.09736	0.9
121.38723	0.3
125.09719	1.1
139.11343	0.4
141.12918	0.3
146.44359	0.3
150.03725	0.3
156.13954	100.0
157.14301	4.5
173.02628	0.3
174.02893	0.5
177.09265	0.3
185.11827	2.6
197.11786	0.5
200.12939	5.6
216.11121	0.8
217.05165	0.6
217.07159	0.5
218.05431	2.7
220.14629	1.5
221.15489	3.2
233.10251	0.6
234.47060	0.3
236.10536	2.6
249.22237	0.6
251.12708	0.4
260.10034	1.0
292.09500	0.3
292.12695	5.3
292.19931	6.4
293.21219	34.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	292.1918
Annotation	Nordihydrocapsaicin
Peak:m/z	Relative Intensity
57.03422	0.4
58.02967	0.9
59.01376	4.2
61.98822	0.7
68.02530	1.5
68.99563	0.3
70.90794	0.7
70.91159	0.7
71.01411	0.5
97.06574	0.5
113.09736	0.9
121.38723	0.3
125.09719	1.1
139.11343	0.4
141.12918	0.3
146.44359	0.3
150.03725	0.3
156.13954	100.0
157.14301	4.5
173.02628	0.3
174.02893	0.5
177.09265	0.3
185.11827	2.6
197.11786	0.5
200.12939	5.6
216.11121	0.8
217.05165	0.6
217.07159	0.5
218.05431	2.7
220.14629	1.5
221.15489	3.2
233.10251	0.6
234.47060	0.3
236.10536	2.6
249.22237	0.6
251.12708	0.4
260.10034	1.0
292.09500	0.3
292.12695	5.3
292.19931	6.4
293.21219	34.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1032
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	0.8
59.01367	2.4
61.98824	0.9
64.87739	0.5
67.01897	1.7
68.94532	0.5
71.01375	1.0
71.71851	0.6
71.72233	0.6
82.42096	0.6
91.05553	1.1
93.03481	1.1
95.01400	0.9
95.05024	0.7
97.06589	0.9
103.05511	0.6
107.05035	2.0
113.02471	0.8
117.03482	0.8
119.05065	2.6
121.03004	1.0
123.04554	1.7
133.02977	1.2
133.04028	0.5
134.03752	7.3
135.04570	5.7
138.55231	0.6
139.04068	0.6
145.06567	1.2
147.04535	8.0
149.02444	1.0
149.06128	1.4
151.03966	0.7
159.08200	0.9
161.02472	2.5
161.06097	1.3
163.04031	5.3
163.07640	2.2
175.03993	0.8
175.07657	1.5
177.01912	3.3
177.09293	0.8
178.02734	3.0
179.03464	2.0
187.07648	1.2
191.03514	39.7
191.07137	1.4
191.10808	0.6
192.03874	1.4
193.05034	2.4
203.06970	0.7
203.10817	0.8
205.05055	4.0
217.05049	2.1
219.06625	7.4
221.08269	0.6
221.15622	0.7
230.05772	0.6
231.06606	4.6
231.10066	0.7
235.06105	19.6
236.06349	0.8
242.29160	0.6
245.08240	0.9
247.09708	1.5
249.07664	31.0
250.08014	2.3
263.09219	10.3
275.09186	7.6
293.10306	100.0
293.21112	1.3
294.10687	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	293.103
Annotation	3alpha-Hydroxy-11beta,13-dihydrodeoxymikanolide
Peak:m/z	Relative Intensity
51.35159	0.4
56.26965	0.4
57.03449	4.7
59.01366	1.5
65.00335	0.7
67.01893	3.2
69.62189	3.9
72.71620	0.5
73.02951	0.8
79.05520	0.5
81.03507	0.5
89.03979	0.5
93.03465	0.6
95.05054	1.4
97.58599	0.6
105.07104	1.0
107.01388	0.6
107.05027	2.2
121.33006	0.6
123.04518	0.8
131.05045	1.4
131.08665	1.7
133.02966	0.8
133.06610	1.1
134.03781	3.8
134.07376	1.2
135.04559	1.4
145.06627	0.7
147.04523	1.6
149.02448	1.9
149.06088	6.1
154.24367	0.5
157.06586	1.3
161.02455	14.1
161.06090	8.1
162.02805	0.6
162.06882	4.5
163.04044	0.7
163.07611	0.9
164.04846	0.7
171.04472	0.5
173.02406	2.4
173.06075	2.0
175.04012	9.4
175.07634	11.0
177.05630	0.6
178.02727	1.4
185.02382	0.6
185.09822	0.8
187.11317	0.8
192.04346	1.5
193.05074	23.1
194.05411	1.0
196.05298	0.6
197.02481	1.8
201.05582	1.8
201.09245	1.5
203.07104	1.4
203.10814	5.0
205.05072	35.1
206.05574	3.8
207.06711	2.5
211.07607	1.2
212.04778	2.4
213.05614	1.0
217.05055	10.7
218.05583	0.7
219.06625	67.3
220.06993	4.1
227.03455	0.6
227.06981	0.6
229.08636	1.1
230.05843	7.0
231.06288	0.6
231.10254	1.9
232.03764	1.4
232.07396	1.3
233.08162	1.7
238.04802	5.9
239.07217	0.5
245.08167	10.9
246.08586	0.8
247.09738	16.9
248.10077	1.2
257.08112	2.5
260.06833	2.7
263.09222	100.0
264.09579	6.2
275.09229	40.5
276.09613	3.4
293.10303	88.6
294.10605	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	291.2329
Annotation	Unknow
Peak:m/z	Relative Intensity
55.22651	0.7
55.26272	0.6
55.95202	0.7
57.03442	3.6
58.00590	8.0
59.01381	6.4
59.09401	0.7
61.98819	3.1
68.02546	3.6
69.03442	1.9
70.87820	1.2
70.88146	1.4
71.01385	3.3
71.05031	0.6
72.99302	0.8
73.02946	37.9
78.48058	0.7
83.05028	2.2
84.02159	7.6
85.02963	4.2
85.06587	1.4
95.05031	2.1
97.02963	1.3
97.06587	4.1
99.08183	0.9
107.05033	1.4
109.06604	1.7
111.08156	3.9
113.06071	1.6
113.09755	0.9
121.03011	1.5
121.10217	1.1
125.06057	5.6
125.09727	1.6
127.07659	1.6
127.11327	1.4
139.07658	6.1
139.11293	1.1
141.12848	1.9
149.09645	0.9
153.09239	1.4
153.12852	1.9
155.14432	1.1
167.10776	1.6
167.14355	1.1
195.17677	0.7
205.19688	2.1
209.15544	0.7
215.10782	1.2
217.04997	2.1
217.19626	0.8
221.08228	1.1
247.16914	1.1
247.20654	1.4
255.21254	4.2
259.09793	1.3
261.22205	6.3
263.23788	10.4
264.24194	1.3
271.20609	1.0
273.22223	25.5
274.22614	2.3
289.21729	1.9
291.09012	2.7
291.12381	4.7
291.19699	22.4
291.23264	100.0
292.20010	2.8
292.23584	9.6
308.35687	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1966
Annotation	12-OPDA
Peak:m/z	Relative Intensity
59.01371	1.1
62.37738	0.2
63.36821	0.2
67.21049	0.2
68.02529	0.7
69.58119	1.8
73.02956	1.0
79.89385	0.2
80.02679	0.2
80.96523	16.3
83.97639	0.2
95.05040	0.4
97.06606	0.5
106.04253	0.4
119.05051	0.3
123.08228	0.2
125.06088	0.4
127.07622	0.3
141.09235	0.2
148.08986	1.5
149.09741	0.4
150.10529	1.1
151.11278	0.6
154.62640	0.2
163.11348	1.2
165.12863	20.1
166.13182	1.2
175.11270	0.5
176.12041	0.8
177.12624	0.2
179.14465	0.3
189.12889	0.2
191.14415	0.8
205.05063	0.2
207.10268	0.5
215.10860	0.3
217.05055	0.3
217.15959	0.7
227.28931	0.2
245.19031	0.7
247.20668	10.8
248.21030	1.3
259.09698	0.3
263.20267	0.5
273.18576	6.1
274.18988	0.4
291.19647	100.0
292.19989	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	291.1966
Annotation	9-OxoOTrE
Peak:m/z	Relative Intensity
55.01884	0.2
57.03447	1.7
58.81459	0.2
59.01376	0.3
69.03436	0.2
70.47192	0.9
70.47582	0.5
75.90647	0.2
93.07104	1.0
97.06568	1.5
111.08168	0.5
121.10249	13.3
122.10594	0.7
123.08179	1.1
125.09737	6.7
139.11365	0.4
141.12891	1.4
147.08109	0.5
163.11244	0.3
165.12852	0.5
167.14464	0.3
171.10359	0.3
177.12921	0.4
185.11832	14.6
186.12143	0.8
193.15929	0.4
197.11816	3.2
209.11835	1.1
211.13318	1.4
223.13329	0.5
247.13396	0.6
247.20656	0.9
273.18561	1.3
291.19635	100.0
292.20004	9.8
300.24365	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.2329
Annotation	17beta-Hydroxysteroid
Peak:m/z	Relative Intensity
54.92821	0.6
55.01878	0.6
57.03439	2.4
58.00591	7.2
59.01377	4.3
61.98825	1.6
68.02533	1.6
69.03451	1.7
70.27388	2.4
71.01380	3.8
71.05029	1.5
73.02950	36.6
81.03468	0.8
83.05028	2.6
84.02171	6.9
85.02952	3.3
85.06580	1.4
95.05019	2.6
97.02956	1.1
97.06601	4.1
99.04493	0.7
101.06098	1.0
107.05037	1.3
109.06597	2.2
111.08166	3.1
113.06069	1.7
113.09795	0.6
121.06618	0.6
121.10188	0.7
123.08134	0.8
125.06112	6.9
125.09703	1.3
127.07646	2.2
127.11289	1.6
127.74716	0.6
135.31216	0.6
137.09676	0.9
139.07651	6.6
139.11333	1.0
141.09276	0.7
141.12906	0.9
149.13391	1.1
151.07610	0.5
151.11328	0.8
153.09235	1.2
153.12834	1.6
155.14464	1.0
163.14857	0.9
165.12859	1.0
167.14391	1.2
169.12311	0.6
169.16028	0.7
177.12842	0.6
179.14355	0.7
181.16013	0.8
185.11781	0.9
205.19633	2.3
217.05052	0.7
247.02550	0.7
247.20634	1.0
248.17747	0.8
255.21213	4.8
259.20639	0.7
261.22284	5.3
263.23798	8.6
273.22241	25.2
274.22672	2.1
289.21677	1.4
291.12616	3.6
291.19681	13.9
291.23248	100.0
292.20129	1.5
292.23538	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	291.1239
Annotation	Curvularin
Peak:m/z	Relative Intensity
56.09318	0.8
57.35228	0.8
59.01374	4.0
61.62542	0.8
61.98826	3.6
68.02534	3.8
71.01413	1.0
71.71405	1.5
80.96534	0.9
99.92590	1.0
107.05055	1.2
115.92060	1.1
119.68319	1.0
121.02995	1.7
122.03718	1.4
134.07393	3.8
147.04483	1.1
161.02441	2.6
161.06111	3.5
162.03212	8.8
162.05499	1.3
162.06880	23.4
163.03836	0.9
173.02417	1.8
177.05577	17.9
178.06100	1.4
191.03549	1.7
194.58025	0.9
205.05052	9.3
206.05832	15.3
207.06372	1.5
209.04532	1.9
215.07019	0.9
215.10753	1.8
215.60608	0.8
221.08177	100.0
222.08511	6.9
238.04787	25.1
239.05148	3.1
247.02597	1.0
259.09763	10.4
260.10086	1.2
273.11371	5.1
273.18567	1.5
291.12387	66.1
291.19452	9.1
292.12704	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	291.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.0
57.03433	0.5
59.01380	100.0
60.01718	1.6
61.98817	0.6
71.01385	4.6
71.57416	0.8
72.99294	0.4
73.02947	2.5
74.83810	0.4
78.14342	0.4
83.01408	1.5
85.02956	2.9
89.02467	0.4
95.01414	0.5
97.02998	0.5
99.00919	0.9
100.35131	0.4
101.02464	6.3
109.02982	0.5
113.02485	1.7
126.89719	0.4
140.99390	0.4
159.03033	0.9
161.04587	2.4
163.04105	0.6
171.10184	0.4
207.06621	0.4
247.09694	0.6
248.09190	0.6
249.13408	8.5
273.15002	0.5
290.38284	0.5
291.08981	1.4
291.12717	1.2
291.15976	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.145
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11352	0.4
50.33334	0.5
55.01880	0.5
57.03453	0.5
59.01379	100.0
60.01707	1.2
61.98845	0.9
68.02561	0.5
71.01387	5.0
71.66184	0.4
71.66557	0.7
72.99331	0.5
73.02962	1.8
73.46854	0.5
81.03465	0.5
83.01402	1.0
85.02965	3.0
87.00897	0.5
89.02454	0.5
95.01376	0.5
99.00922	0.5
100.53053	0.4
101.02444	5.8
113.02486	2.0
119.05036	1.5
134.03813	0.8
139.55507	0.5
146.48508	0.4
161.04584	2.4
163.04051	0.7
193.05217	0.5
203.07190	0.6
203.11087	0.6
217.05025	0.8
248.09369	0.8
249.13422	9.3
269.40829	0.4
291.08990	1.4
291.12741	1.4
291.16428	1.0
291.19543	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1238
Annotation	Curvularin
Peak:m/z	Relative Intensity
56.13198	0.3
57.03440	0.7
59.01361	1.2
61.98825	0.7
68.02518	0.3
71.05014	1.3
71.72430	0.3
74.23202	0.3
79.05526	1.3
97.06568	0.3
107.05038	6.5
111.08154	1.2
113.09692	0.3
118.04299	0.3
119.08634	0.4
121.10219	0.3
142.29424	0.3
156.13948	3.7
161.02499	1.8
161.05948	0.3
163.03944	0.7
165.12839	0.4
173.02451	8.4
173.06052	2.3
174.03084	1.1
175.03932	0.4
175.07681	0.7
185.11942	0.4
188.04671	0.4
189.05550	1.4
189.09213	0.5
197.06030	0.5
197.09734	0.9
198.54842	0.3
199.03987	0.6
199.07657	1.6
199.11295	0.7
200.08397	0.4
205.03247	0.6
205.05035	5.0
206.05548	0.7
207.06616	0.7
213.05569	1.2
214.06300	1.3
214.09766	0.3
215.07191	0.9
215.10771	21.0
216.11092	1.5
217.05054	68.4
218.05460	5.7
219.06647	1.9
221.08148	0.7
226.06415	0.4
229.08710	3.8
229.12288	0.9
229.82263	0.3
230.09007	0.6
233.08189	2.3
241.08684	3.5
243.06557	0.7
247.09653	3.6
247.13429	0.5
247.20648	0.9
257.08179	1.1
258.08945	0.9
259.09732	27.7
260.09991	2.2
261.07669	6.6
262.07993	0.7
263.20279	0.6
273.11316	10.2
273.18652	1.6
274.11655	1.1
275.08945	0.4
291.12381	100.0
291.19479	16.1
292.12723	9.4
292.16077	0.5
292.19818	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1238
Annotation	Curvularin
Peak:m/z	Relative Intensity
59.01371	1.3
68.02539	15.7
69.09110	0.7
71.69590	1.3
75.77345	0.6
80.96523	32.1
82.91157	0.7
86.19901	0.6
107.05062	1.9
121.02946	0.7
124.01665	1.2
133.02965	2.6
136.01674	2.1
145.02980	12.1
149.02483	3.1
161.02448	5.5
163.04027	1.1
164.01152	2.6
173.02452	1.8
173.05988	3.1
177.01956	12.6
177.05554	4.5
178.06334	0.9
187.04050	0.9
187.07684	1.3
188.08443	8.1
189.01895	7.9
189.05562	5.2
189.08849	1.3
191.07156	1.5
192.07912	0.8
199.07678	1.7
200.00954	0.9
203.03557	2.6
203.07127	1.6
203.10719	3.3
204.07927	3.7
205.05045	4.2
206.05836	0.8
215.03516	5.0
215.10776	4.2
217.05058	8.6
219.06555	2.0
221.04498	1.6
221.08162	2.1
231.06534	1.1
232.07402	45.3
233.04581	3.0
233.07764	3.1
238.04820	0.9
241.08688	0.8
247.09749	44.4
248.10016	4.3
259.09808	5.8
261.07590	1.2
264.06424	1.6
273.11279	3.0
291.12384	100.0
291.16016	4.0
291.19473	3.1
292.12735	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	291.0874
Annotation	Unknow
Peak:m/z	Relative Intensity
56.86270	0.3
57.91396	0.3
58.99609	0.5
59.01394	1.7
61.98825	0.4
71.01377	0.7
71.69051	0.5
73.29305	0.3
79.95761	0.4
80.96517	0.9
81.80791	0.3
85.02968	1.4
87.00902	0.5
101.02432	0.5
110.06109	0.4
117.03479	2.0
119.05045	100.0
120.05367	4.0
120.99658	0.5
121.02982	0.4
124.04047	0.5
132.09317	0.3
145.02974	6.3
146.03246	0.4
159.04465	0.4
163.04028	90.1
164.04361	4.9
231.11386	0.5
234.98090	0.3
273.07687	1.1
291.08807	14.1
291.12344	1.1
291.17624	0.4
292.09033	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0874
Annotation	Dihydromikanolide
Peak:m/z	Relative Intensity
59.01359	2.6
61.98823	1.7
62.87219	0.6
71.61667	1.1
75.29616	0.6
83.71918	0.7
95.04489	0.7
95.05015	3.7
96.96030	1.1
104.69714	0.7
107.05019	1.6
112.98757	0.9
115.92081	0.9
117.07138	0.8
119.05053	0.8
121.02971	1.5
122.52105	0.6
159.11789	1.4
161.06096	1.8
162.06857	3.5
173.02437	0.7
175.07707	1.3
185.09651	0.9
190.28600	0.7
203.07123	3.6
203.10788	11.6
206.05959	1.7
209.04626	0.8
211.07652	1.0
217.05028	3.0
229.08760	0.9
238.04881	4.6
247.09741	100.0
248.10107	7.0
291.08853	11.7
291.12228	2.0
291.19620	1.7
292.09036	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1088
Annotation	Itoside L
Peak:m/z	Relative Intensity
50.59407	5.1
57.03431	5.3
59.01375	100.0
61.98817	17.0
68.02525	5.5
71.01385	97.5
71.70655	9.6
72.99300	9.1
73.02952	15.9
73.04081	12.5
78.95905	14.6
85.02959	37.0
87.00886	12.8
89.01946	5.8
89.02454	92.7
95.01376	6.3
96.96964	9.3
99.00890	14.9
101.02453	72.1
110.98561	9.2
111.00861	7.1
111.04511	12.6
113.02474	38.8
115.56959	5.2
115.92102	10.0
116.16579	4.8
119.03552	29.8
119.05027	34.7
122.16444	5.1
126.66570	4.8
129.05577	22.8
144.07712	7.6
145.02994	9.5
161.04573	17.1
163.04057	29.1
173.04433	5.1
173.10667	4.9
191.02054	5.6
193.05368	6.2
202.32501	5.2
217.04970	6.6
225.35414	5.5
247.11836	18.1
291.10840	61.6
292.13171	29.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1445
Annotation	3-Polyprenyl-4,5-dihydroxybenzoate
Peak:m/z	Relative Intensity
57.03453	2.4
59.01372	7.3
61.43153	2.1
61.98841	6.2
63.69432	2.9
68.86976	2.1
68.99823	4.4
69.03451	8.7
69.52595	14.6
69.53008	4.0
71.01387	19.2
71.28658	2.0
71.71423	2.2
72.99283	4.1
77.02704	2.0
79.01892	52.7
81.03446	4.1
93.03467	43.6
95.01371	13.6
95.05054	2.4
97.02956	22.6
98.20592	4.8
99.26374	2.1
99.92584	6.8
105.07069	2.2
106.04293	2.2
107.05038	15.7
108.02180	6.0
109.02979	20.2
115.92091	3.7
116.40802	2.0
119.05063	6.0
119.08657	17.2
121.02958	23.3
121.06564	4.3
122.03726	3.7
123.04513	6.9
124.01669	19.0
125.09745	5.2
128.95343	2.2
129.09247	3.9
130.04253	3.1
131.05049	4.5
133.02992	4.7
133.06618	9.7
134.03743	5.1
135.04544	15.1
137.09648	2.8
139.11330	4.7
142.87697	2.3
145.02956	6.1
147.04579	11.4
148.01691	3.6
149.06082	14.7
151.04118	3.1
151.11249	3.1
155.10831	2.5
158.03735	3.3
159.04514	8.5
160.05301	4.3
161.02426	9.9
162.03250	16.3
163.04044	2.6
167.10779	7.7
171.04518	2.5
174.03165	2.8
175.04018	13.0
176.04785	8.7
177.05585	38.9
191.03511	2.9
191.14418	3.3
193.12289	3.3
203.14444	3.5
204.04271	8.1
209.11853	26.9
217.12358	2.5
217.15990	4.7
219.10327	2.7
219.13924	6.8
227.14413	2.8
231.13861	2.3
233.15526	6.5
243.13837	5.3
245.15472	12.5
246.15813	2.8
259.13342	3.1
261.14981	16.5
271.13272	6.2
289.14441	100.0
289.17996	19.2
290.14792	13.8
290.17953	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	289.0202
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92866	0.7
59.01377	1.3
61.98833	5.0
69.53753	0.6
71.01385	46.3
71.67585	1.4
72.37904	0.7
72.99332	2.1
78.95903	2.6
80.91683	0.9
83.01382	0.8
85.02946	1.2
87.00882	2.1
91.52470	0.9
94.92548	0.8
96.96986	1.7
99.00909	3.5
107.93436	0.8
108.90225	1.9
111.00847	0.8
112.98833	9.2
115.00389	100.0
116.00723	2.7
117.01933	1.7
124.98763	3.7
133.01443	27.6
134.01804	1.1
135.03056	1.2
135.92122	2.3
136.98549	0.8
142.99883	53.9
144.00230	2.2
146.97049	1.0
172.78940	0.7
173.00928	16.6
176.38899	0.8
186.97444	1.0
191.05566	1.0
244.43951	0.7
288.96317	0.7
289.01688	1.9
289.06973	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	289.02
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96875	0.7
59.01374	1.6
65.96371	0.7
69.45995	0.8
70.79499	1.7
71.01384	42.3
78.54733	0.8
78.95902	4.3
83.01376	1.2
85.03000	0.9
87.00889	2.3
96.96039	3.8
96.96979	2.0
99.00878	6.4
106.04359	0.8
111.00871	1.3
111.02015	0.9
112.98820	14.1
115.00385	100.0
116.00732	2.7
116.07143	0.8
124.98805	4.4
134.28610	0.8
134.81798	0.8
140.98270	1.4
142.96666	6.4
142.99881	68.1
144.00204	1.9
145.01460	1.7
157.95302	0.9
160.97714	3.2
173.00940	22.0
174.01230	1.2
174.30376	0.9
174.99275	2.3
184.97684	10.2
200.05666	0.9
202.98759	15.0
217.41551	0.7
235.21095	0.9
243.06201	2.8
244.99817	1.8
263.59552	0.7
289.07040	0.9
310.31354	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1193
Annotation	Limazepine B2
Peak:m/z	Relative Intensity
57.03452	0.4
58.64590	0.3
59.01385	1.0
64.01929	0.3
66.03490	0.3
66.90064	0.4
70.75375	0.8
73.02972	0.6
74.58201	0.3
80.05065	1.6
83.01385	0.7
83.05057	0.4
92.05070	4.9
94.02995	0.8
94.06631	10.9
95.05028	0.5
96.64510	0.3
99.00849	0.5
100.00580	0.3
101.02430	0.4
102.10423	0.3
103.04311	0.7
104.05060	3.4
105.03481	2.6
106.03022	0.8
106.06637	36.5
107.03799	1.2
107.06984	1.4
108.04568	4.4
108.22150	0.3
110.02438	0.3
118.05148	0.9
120.04569	12.2
121.05362	3.6
122.02531	1.3
122.06138	36.4
123.03281	6.3
123.06506	0.7
124.07696	1.1
127.00430	1.1
131.03806	0.9
132.04581	6.4
135.03262	1.2
135.04451	0.4
136.04073	1.1
138.05629	67.0
139.05956	2.5
140.07205	3.1
144.08156	1.0
146.06152	0.4
147.91487	0.3
148.04050	3.2
150.05624	19.8
151.06010	1.0
152.07263	0.5
158.06137	0.7
158.09753	0.7
159.06859	2.3
164.03592	0.5
166.05095	5.0
168.06691	0.7
172.07684	1.1
173.08426	1.8
174.09204	0.5
174.12929	3.0
183.88292	0.3
184.11362	3.0
186.09245	0.9
187.10089	0.5
188.07214	2.2
189.07967	5.6
190.08249	0.5
190.12273	0.5
191.03514	0.4
197.07201	1.5
198.07939	1.2
199.05113	0.4
199.08788	0.4
199.12471	0.4
200.05937	1.1
200.09340	0.5
200.10983	0.9
202.08760	1.3
202.12386	7.4
203.09518	2.4
203.12601	0.6
212.05846	0.4
212.09576	1.5
213.06645	2.9
213.10236	0.3
214.07465	1.2
215.11879	7.7
216.10359	0.7
216.12161	0.5
217.07452	13.3
218.07721	0.8
218.11862	1.3
225.10326	0.7
226.07542	1.7
227.08209	1.4
227.11839	2.3
228.08804	3.3
229.09746	2.4
231.09016	5.5
231.11348	2.2
241.06094	1.0
241.09825	11.4
242.06973	0.9
242.10381	1.1
243.11375	11.4
243.13850	0.5
244.11722	0.6
246.11365	9.5
247.11646	0.8
253.09787	1.0
256.08572	1.3
259.10837	7.2
271.10840	21.4
272.11237	1.3
289.11929	100.0
290.12259	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	286.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00784	0.2
56.22133	0.3
59.01375	2.0
61.98828	2.7
68.99841	1.6
71.69743	0.3
72.00911	16.0
74.02476	14.4
81.03461	0.9
83.05041	2.7
83.52729	0.3
96.61063	0.2
99.92610	0.3
101.06077	0.5
104.03547	100.0
105.03888	1.7
112.98586	0.3
139.15540	0.3
144.63266	0.3
145.05083	0.8
158.03763	0.6
159.10243	1.4
182.03769	0.8
199.11258	0.6
203.07079	1.3
204.07448	0.4
217.08716	0.8
225.09235	0.9
243.10246	1.0
269.08185	0.6
286.20966	1.7
287.09189	0.5
287.14926	2.9
287.18863	0.5
287.22238	5.6
306.76843	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1499
Annotation	asc-DeltaC8
Peak:m/z	Relative Intensity
50.89122	0.6
52.44629	0.6
54.82109	0.8
59.01378	97.7
60.01716	0.8
66.06351	0.7
67.23510	0.6
70.14474	2.6
92.21690	0.8
99.04555	1.5
106.61900	0.7
106.69844	0.8
158.16248	0.6
165.12863	2.2
207.13890	2.1
209.11844	6.6
225.14998	5.8
227.12885	44.0
228.13283	2.1
251.12892	1.5
258.74033	0.7
269.13928	16.8
287.14999	100.0
288.15323	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	287.2227
Annotation	10,16-Dihydroxy-hexadecanoate
Peak:m/z	Relative Intensity
71.60684	0.4
99.08175	2.0
129.09213	0.7
136.95085	0.3
139.11249	0.4
141.12848	2.3
142.91553	0.3
143.29385	0.3
155.14421	0.6
196.70384	0.3
230.23544	0.3
239.20064	0.4
241.21779	1.0
269.21231	2.4
285.20706	1.7
287.22266	100.0
288.22604	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	288.1604
Annotation	Mesembrine
Peak:m/z	Relative Intensity
59.01153	0.1
59.01380	1.7
59.35860	0.2
61.98821	0.5
67.01884	0.2
67.07460	0.2
71.69706	0.3
78.26597	0.2
81.03484	1.2
90.03530	0.2
91.69056	0.2
92.05070	1.0
93.03468	1.6
93.05408	0.2
99.92599	1.5
107.03771	0.4
108.02145	0.4
108.04565	4.5
109.02962	5.9
109.04914	0.2
115.92117	0.6
116.92844	0.5
121.02967	0.4
124.01650	0.2
134.02496	36.6
135.03313	8.5
135.21538	0.2
136.04059	37.8
137.02477	1.6
137.04401	1.2
148.04054	0.8
149.04831	1.0
150.02083	0.3
161.06053	0.3
161.42429	0.2
173.04697	0.2
176.03542	3.9
176.07133	0.2
177.04144	0.7
181.03860	0.2
190.05101	0.4
199.26538	0.2
204.06569	0.3
288.16037	100.0
289.16351	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	285.2071
Annotation	Hexadecanedioic acid
Peak:m/z	Relative Intensity
53.70477	0.2
57.03439	0.3
59.01378	1.8
61.98820	0.9
62.18200	0.2
62.55040	0.2
70.58072	0.8
78.95907	0.7
83.05024	0.3
85.02921	0.3
97.06584	0.2
99.00857	0.3
111.08165	0.6
113.09748	1.2
121.02945	0.3
123.08189	0.4
125.09717	0.4
127.11333	1.4
139.11343	0.3
141.09206	0.3
141.12863	0.6
142.17128	0.2
155.10809	0.3
171.10278	0.2
211.20604	0.5
221.19118	0.4
223.20718	0.3
239.20074	1.2
240.71739	0.2
241.21709	0.3
265.18112	0.4
267.19626	4.2
283.19156	1.2
285.04141	0.7
285.20697	100.0
286.21057	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	285.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03423	0.3
59.01378	3.8
61.98816	1.0
69.03448	0.2
70.23277	0.2
70.84470	0.4
70.84811	0.6
76.82040	0.2
78.95930	0.6
83.05035	0.5
85.66238	0.3
99.00888	0.4
111.08137	0.5
112.22065	0.2
113.09726	1.2
115.07649	0.5
123.08208	0.6
125.06116	0.3
125.09741	0.5
127.11263	1.6
128.54413	0.3
141.12869	1.0
155.10789	0.4
155.14433	0.4
162.82251	0.2
169.05118	0.4
211.13463	0.4
211.20723	0.7
239.20145	1.2
241.21814	0.4
249.18590	0.4
265.18100	0.4
267.19647	4.7
268.20224	0.3
283.19235	1.1
285.04199	1.3
285.20697	100.0
285.26968	2.5
286.21039	9.2
286.24255	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	286.0417
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	100.0
70.19807	0.5
71.01392	1.7
73.92371	0.4
75.91780	0.4
79.66750	0.4
87.00900	0.5
89.71277	0.5
101.52984	0.5
105.01968	1.1
110.98584	0.6
115.00401	4.1
132.03027	0.8
133.01456	4.7
135.92107	0.8
185.02248	0.5
216.92023	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1344
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	6.5
59.01378	85.7
69.38194	7.9
71.05011	1.2
79.95747	1.7
80.30933	0.6
81.03477	0.6
83.05032	9.2
87.00890	6.3
95.05022	1.4
97.06618	2.4
109.06612	2.0
111.04534	11.9
111.08178	1.9
123.08183	4.6
130.08752	6.0
140.14056	0.7
141.05571	0.9
154.08774	1.7
163.11327	4.4
165.09227	4.6
176.98453	0.7
181.12370	2.4
197.02852	0.8
197.11855	6.2
199.18158	4.5
207.10315	2.8
223.13387	14.1
225.11320	47.6
226.11644	2.8
241.14458	3.0
241.19357	1.0
256.62201	0.7
267.12302	3.6
284.26797	1.2
285.04501	1.7
285.13446	100.0
285.17929	6.2
285.27148	4.0
286.13794	9.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1708
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	0.5
59.01380	100.0
60.01719	1.0
60.58919	0.4
61.98847	0.5
69.99863	1.5
70.00278	0.8
71.01371	0.5
90.87405	0.4
93.03514	0.5
98.19981	0.6
102.98608	0.5
132.96501	0.4
139.57483	0.4
195.14008	0.5
216.82707	0.4
225.14992	0.7
254.64883	0.5
258.52719	0.4
285.04062	0.6
285.09021	2.1
285.13321	1.0
285.27148	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	283.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19116	0.4
56.72281	0.3
57.03446	2.8
59.01377	100.0
59.33854	0.4
59.66422	0.4
60.01717	1.0
61.49173	0.3
71.61055	0.6
72.96631	0.3
75.89840	0.4
79.56855	0.4
81.03465	3.5
101.02468	0.6
102.98640	0.7
151.03970	0.4
161.09752	0.5
176.01123	0.9
177.01944	6.9
218.76308	0.4
223.08403	0.6
223.13393	0.5
231.05635	0.7
239.12933	0.8
283.26425	49.9
284.26767	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	285.0743
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.6
61.98826	0.6
65.00325	0.2
66.14049	0.2
69.03439	0.2
69.81007	1.1
71.01361	0.2
78.95892	0.3
81.56381	0.2
83.05048	0.3
83.59904	0.2
85.63217	0.2
88.96700	0.2
93.03439	0.2
99.00861	0.2
117.03437	0.3
121.02939	0.4
130.04265	0.7
138.20518	0.2
145.02902	0.3
146.03770	1.5
146.11417	0.2
151.00354	0.2
160.01677	7.8
161.02333	0.7
173.02429	0.5
174.03233	13.7
175.03581	0.7
178.02693	0.2
185.06133	0.3
203.07146	100.0
204.07466	6.4
226.11046	0.3
237.14943	1.1
241.13445	0.2
255.16075	0.8
284.26752	3.1
285.04065	1.9
285.07297	0.4
285.12457	0.5
285.17911	0.2
285.20715	1.4
285.26938	1.3
286.04395	0.3
306.76755	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1343
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	2.6
57.90245	0.5
59.01377	100.0
60.01711	1.2
61.98834	0.7
70.54197	0.8
70.54601	1.6
71.01376	1.1
71.05045	0.4
73.02954	1.5
83.01399	1.3
83.05054	0.5
87.00898	1.0
95.05032	0.5
99.04543	0.9
124.04258	0.4
137.05975	0.5
139.11333	1.5
151.11261	0.5
152.91223	0.5
163.11345	2.0
163.51241	0.4
165.09261	0.5
181.12364	1.0
183.10318	1.6
192.81508	0.5
195.10289	0.6
205.12323	2.7
207.10268	9.4
208.10602	0.6
223.13394	22.7
224.13750	1.8
225.11349	6.1
226.11636	0.5
241.14453	8.1
242.14755	0.6
243.15909	0.6
249.11217	2.5
251.67871	0.5
255.12373	1.3
267.12369	18.3
267.15292	1.0
268.12744	0.7
284.26926	0.5
285.13443	39.7
285.26999	2.3
286.13730	3.3
292.71188	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.0459
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	0.8
61.98819	0.4
65.00317	0.8
71.01384	19.3
71.55079	0.5
71.55475	0.6
75.00883	0.4
91.01902	9.6
100.38540	0.3
103.00365	0.5
103.04029	0.6
104.03572	0.7
108.02185	5.4
111.00888	1.2
115.00390	10.2
123.00902	0.4
123.04539	31.2
124.01680	0.7
124.04860	1.0
133.01439	0.5
133.05116	0.4
151.02596	1.1
152.01160	7.3
167.03511	100.0
168.03868	4.4
283.26511	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.0459
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	1.4
65.00318	1.1
69.24033	0.5
69.54818	0.5
69.85652	2.2
69.86076	0.9
71.01383	20.4
91.01903	9.1
95.01407	0.4
98.20644	0.6
102.98602	1.1
108.02195	5.1
111.00899	1.0
112.36893	0.5
115.00391	10.2
123.04541	31.8
124.01660	0.6
124.04853	1.4
133.01485	0.6
133.91550	0.4
152.01157	7.0
167.03511	100.0
168.03822	3.9
180.43509	0.4
184.70406	0.4
283.04828	0.7
283.26440	18.6
284.26761	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.0684
Annotation	9-.beta.-D-Ribofuranosylxanthine
Peak:m/z	Relative Intensity
50.62005	0.2
53.64722	0.2
59.01381	3.8
60.35500	0.2
61.98833	1.2
70.06214	1.3
71.01390	3.3
78.95930	0.4
91.01914	0.9
96.96017	0.5
102.98595	0.3
108.02059	9.0
109.82137	0.2
113.07211	1.9
115.00379	1.2
123.04536	3.9
126.03072	0.5
127.05145	0.7
131.04236	0.3
133.01558	0.5
145.06223	0.3
150.04210	0.8
151.02634	100.0
152.01135	0.6
152.03058	2.6
167.03511	11.9
168.03889	0.6
180.11441	2.8
198.12509	2.3
224.10500	0.4
258.94257	0.3
266.11545	1.5
283.06818	20.0
283.26422	37.7
284.07153	1.3
284.12521	3.3
284.26764	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	282.062
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02525	0.6
59.01379	12.7
59.01655	1.3
61.98833	7.8
65.00314	1.1
69.03392	0.7
71.01383	28.4
71.55769	1.1
75.12080	0.8
75.29613	0.6
80.73808	0.6
88.04047	13.7
91.01889	8.6
92.43597	0.7
101.02472	0.8
102.02002	0.8
102.98591	1.3
108.02186	20.7
111.00854	1.1
114.01984	19.3
115.00387	34.5
121.03012	0.9
123.00941	0.9
123.04542	45.5
124.01692	1.6
124.04861	1.6
132.03044	38.0
133.01546	0.9
133.03368	1.1
150.04306	0.8
150.05627	2.9
151.02757	4.6
151.04013	1.6
152.01196	5.2
157.34525	0.7
161.04655	0.9
166.05106	28.2
167.03511	100.0
168.03854	1.3
178.05115	4.9
179.05888	2.3
179.94171	0.8
205.03886	0.8
220.06238	6.5
223.08170	1.1
238.07202	6.1
264.05176	3.5
278.02631	0.7
282.06189	52.7
283.06381	3.7
283.26410	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	282.0843
Annotation	Guanosine
Peak:m/z	Relative Intensity
59.01376	1.0
61.98822	0.6
66.00978	0.7
67.87119	0.1
70.39677	0.4
70.40070	0.3
71.01383	1.1
78.00977	0.2
78.06145	0.2
82.04118	1.2
91.01901	0.3
98.19951	0.2
101.02440	0.2
102.02775	0.2
105.02126	0.2
107.03648	4.7
108.02055	6.5
112.98643	0.2
115.00372	0.7
123.04529	1.1
126.03110	6.5
130.08755	2.3
132.03079	0.3
133.01581	30.3
134.01923	0.7
150.04233	100.0
151.02629	1.0
151.04720	1.9
152.01108	0.4
163.95053	0.2
164.05841	0.2
167.03520	3.6
230.26875	0.2
244.06329	0.2
282.08438	32.9
283.08685	1.6
283.26398	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	281.1759
Annotation	Gallicynoic acid C
Peak:m/z	Relative Intensity
52.92558	0.7
53.07434	0.6
57.03463	1.5
58.53233	0.6
59.01382	25.4
61.98837	1.5
69.87081	4.3
71.01366	2.0
80.96515	2.5
83.05032	2.3
85.02922	0.7
93.03445	0.7
95.05022	1.9
97.06594	3.7
98.03742	1.5
101.02482	1.3
109.06602	0.9
111.08176	2.3
113.09743	3.9
113.15515	0.6
115.07646	0.9
116.92886	1.4
121.02916	0.9
121.06525	0.8
123.04597	0.7
123.08205	1.0
125.06107	1.2
126.06834	1.4
135.08192	1.1
137.09747	4.7
139.07683	2.6
139.11340	3.6
141.09222	8.5
141.12851	0.8
143.07204	1.2
151.11302	1.6
153.09232	2.7
155.10776	2.7
165.09180	1.8
165.12871	14.3
167.10774	2.7
169.08765	0.8
169.12215	0.7
183.10197	3.7
187.17819	0.8
191.14424	1.8
193.12271	1.1
212.10533	3.1
213.11200	1.2
217.16061	0.6
217.87212	1.7
219.17560	11.9
220.17932	1.7
237.18539	4.6
245.15479	1.9
253.17955	1.6
260.79367	0.7
263.16501	29.3
264.16882	2.9
281.17572	100.0
281.24426	6.5
282.17850	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	281.1759
Annotation	Gallicynoic acid C
Peak:m/z	Relative Intensity
57.03450	2.1
59.01379	25.0
61.98826	3.2
69.03447	4.6
70.92288	3.6
71.01379	2.4
71.05054	1.2
73.02938	1.7
80.96525	7.7
83.05042	2.3
91.42937	1.1
91.81544	1.1
93.07118	1.0
95.05016	2.4
97.06610	2.8
109.06591	4.0
111.08175	31.9
112.08531	1.4
116.92881	1.7
119.08662	2.7
119.59382	1.0
121.10226	1.6
123.08167	3.9
125.06097	2.1
125.09749	11.7
127.07680	3.9
135.08212	1.4
137.09735	8.0
139.11259	2.8
141.09235	4.7
143.07156	14.7
149.09816	1.6
151.07677	3.0
153.09233	4.8
155.07149	4.5
155.10764	2.1
157.08670	1.4
165.09206	1.5
165.12862	2.8
169.08719	100.0
170.09030	4.0
171.10294	6.5
183.10283	17.2
192.17303	1.1
192.99577	1.1
199.09776	2.7
201.16496	2.2
219.17546	3.2
223.13400	1.5
235.17024	8.6
237.14963	2.7
245.15422	2.5
263.16495	20.3
264.16812	2.2
281.14383	3.8
281.17581	41.7
281.24567	5.5
282.17828	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	281.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16546	2.1
57.03432	4.0
59.01378	36.2
61.98819	2.8
64.01840	1.9
69.03464	10.1
70.99660	3.6
70.99999	4.9
80.02673	2.5
80.96510	8.1
81.03481	2.2
83.05024	3.6
89.01591	2.3
95.05054	5.6
97.02959	26.9
97.06616	14.8
98.20028	3.0
99.08188	3.2
106.04332	2.6
109.06613	4.1
111.08181	34.1
121.10262	3.9
123.08151	3.4
125.06082	4.4
125.09755	14.3
126.52595	2.5
133.06616	2.9
135.08168	7.1
137.09743	12.0
139.07567	2.1
139.11264	2.9
141.09171	3.0
143.07184	18.1
149.09746	2.5
151.07668	3.2
151.11317	3.4
153.09242	5.6
155.10779	5.9
165.09219	5.8
165.12827	11.9
169.08708	100.0
170.09074	2.5
171.10190	4.1
177.12804	2.1
181.08727	6.5
183.10243	15.5
197.11743	5.5
199.09747	14.6
219.12689	2.3
219.17564	31.5
235.17015	5.9
237.14883	2.4
245.15395	3.0
263.16492	76.5
264.16843	4.2
281.17563	87.4
281.24777	7.3
282.17886	7.5
295.65564	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	281.1757
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	6.0
59.01379	19.0
67.01885	2.9
68.00492	1.6
69.03451	13.1
69.32702	9.8
69.33132	7.3
81.03449	2.3
83.05023	6.3
84.02177	3.0
86.26857	1.5
95.01404	1.9
95.05045	9.0
97.02956	42.7
97.06596	19.8
99.08148	2.7
99.68880	1.8
103.39315	1.8
106.04243	2.5
107.05030	2.1
109.06589	4.3
111.08161	4.1
117.52772	1.5
119.08662	1.9
121.06593	1.6
121.10241	3.0
123.04538	2.1
123.08173	3.7
125.06104	3.4
125.09724	4.0
127.07659	2.7
133.06679	1.9
133.30869	1.6
135.08154	10.4
137.09741	25.0
139.07654	2.4
139.11337	1.9
143.07153	31.1
147.08191	2.0
149.09720	5.5
151.11256	7.2
153.09196	5.1
155.10796	8.4
163.11234	2.2
165.09200	8.6
165.12878	12.4
167.10748	1.7
169.08752	3.8
177.09227	1.7
181.08740	11.8
183.10274	12.1
191.14426	3.5
193.08772	2.0
197.11870	2.3
199.09792	16.6
201.16530	1.6
211.09741	4.5
219.15433	2.3
219.17548	44.5
220.17763	3.4
245.15378	4.2
263.16492	90.8
264.16849	5.9
281.17572	100.0
282.17789	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	281.1757
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.2
57.03448	7.1
59.01376	21.0
61.98829	1.1
63.78151	0.8
69.03458	3.3
70.05182	3.9
71.01387	1.3
71.05025	10.9
83.05026	4.8
85.02962	1.1
85.06586	4.2
87.04511	3.8
95.05009	1.6
97.02957	3.0
97.06604	6.9
107.08663	1.4
109.06607	5.0
111.04514	2.2
111.08157	1.9
113.06087	1.7
116.92828	0.8
119.05964	0.9
121.06622	1.5
123.08131	2.5
125.06167	1.0
127.07620	1.0
129.09258	1.0
133.10231	1.3
137.09703	1.0
147.11739	1.3
149.09763	5.3
151.11310	1.8
155.10829	4.1
159.08096	1.1
161.13367	1.8
167.10789	55.5
168.11151	2.4
173.13318	0.9
175.11269	0.9
177.09222	1.2
183.10220	0.9
193.12366	10.7
194.12717	0.8
195.10239	5.2
201.16492	4.3
205.12349	2.8
209.15450	3.1
211.13391	1.5
219.13867	0.8
219.17529	3.5
223.13458	2.6
237.14941	0.8
245.15547	1.1
263.16498	36.3
264.16742	2.5
281.17566	100.0
282.17923	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	281.1758
Annotation	4-[Tetrahydro-5-(1-hydroxy-1-methylethyl)-2-methyl-2-furanyl]-1-cyclohexene-1-carboxylic acid methyl ester
Peak:m/z	Relative Intensity
50.40522	1.4
55.01898	1.9
55.91631	1.5
57.03448	10.4
57.11690	1.6
59.01379	55.1
67.01894	2.5
69.03453	2.8
70.72633	3.6
70.72965	3.6
71.00990	1.8
71.01383	6.7
71.05022	30.0
81.03433	1.8
83.05006	4.4
93.03445	2.9
95.05030	14.9
97.06602	64.1
99.04479	1.6
99.08167	2.9
101.02478	2.6
107.05042	10.4
109.06596	2.9
111.08192	2.0
113.09749	10.5
115.00421	2.5
119.08655	3.0
121.10252	16.0
123.08167	2.3
123.59573	1.8
125.06110	1.9
132.43402	2.2
135.08171	2.8
137.09741	20.6
139.07643	4.2
141.05571	2.0
143.06026	3.2
143.07159	56.7
144.07538	2.4
147.08138	5.0
149.00633	2.8
149.09712	1.7
151.11325	2.3
157.08717	23.7
161.02252	1.8
165.09242	3.1
165.12859	4.4
169.08691	3.5
174.45638	1.7
179.14433	4.0
181.08740	2.1
182.13356	1.8
183.10271	2.8
191.10818	2.1
193.12355	2.1
205.12349	4.8
209.11784	10.4
215.57289	1.6
219.17603	5.5
221.06772	1.8
223.13402	66.7
224.13747	3.7
245.15500	2.4
252.67728	1.6
253.62129	1.6
263.16513	92.8
264.16742	4.7
281.14182	7.0
281.17569	100.0
281.24646	14.7
281.51794	1.9
282.17963	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	281.1394
Annotation	Carolenalol
Peak:m/z	Relative Intensity
51.60350	0.9
57.03451	16.0
59.01379	22.0
65.03964	2.8
69.03442	1.3
69.85619	2.9
69.86029	2.3
71.01372	2.8
71.05010	1.4
75.00883	1.1
75.76777	1.0
79.95747	1.1
81.03477	0.9
83.05032	12.5
85.02973	1.9
87.00888	13.5
93.03484	1.9
95.05040	4.2
97.02988	1.2
101.02478	1.8
101.06087	1.4
104.15368	1.0
109.02967	1.4
111.04558	5.9
111.08170	4.2
113.02467	1.2
113.06081	1.8
119.05054	4.0
119.08695	1.6
121.05836	1.2
121.06590	6.5
122.03750	1.4
123.08184	29.7
124.05347	2.6
133.86371	1.0
134.03732	2.2
135.04518	0.9
135.08142	1.1
137.02463	1.1
137.06131	1.6
137.09718	4.5
138.06857	1.5
139.07640	5.0
145.10326	4.7
151.07671	3.4
153.09229	4.7
163.04056	2.9
164.04442	1.9
165.04596	2.5
169.08858	2.0
169.10243	4.9
171.11816	32.9
172.12146	2.1
175.11319	1.4
178.02727	2.0
189.12865	11.8
193.05057	3.4
201.12877	12.3
202.13254	1.0
207.13902	7.5
219.13831	6.1
221.06563	1.2
236.22910	1.0
237.14963	48.0
238.15337	3.8
243.13680	1.0
281.13950	100.0
281.24805	3.4
282.14316	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	279.2328
Annotation	Linoleic acid
Peak:m/z	Relative Intensity
59.01370	0.3
60.00040	0.3
60.77871	0.3
63.67575	0.3
68.65952	0.3
69.63994	1.9
131.28224	0.3
132.27771	0.3
261.22116	0.4
268.27957	0.3
279.23279	100.0
280.23615	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	281.099
Annotation	Unknow
Peak:m/z	Relative Intensity
56.47046	0.2
58.99604	0.9
59.01377	8.3
61.98831	100.0
71.01387	0.9
71.05032	0.3
71.34860	0.4
75.38791	0.2
80.70232	0.2
88.04047	1.6
89.02444	0.3
90.63232	0.2
101.02480	0.7
104.01765	0.3
109.03004	0.7
113.01638	0.2
113.02470	0.7
114.02024	0.3
119.03531	0.4
121.67305	0.2
123.04595	0.4
125.02470	0.4
132.03070	0.4
146.08229	0.6
161.04533	0.3
166.05138	0.4
197.01781	0.2
197.04457	0.5
218.10313	3.0
221.06712	0.3
237.15222	0.2
281.11389	1.2
281.14117	0.3
281.24863	1.7
282.06143	0.4
296.68610	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1241
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91256	0.3
59.01378	100.0
60.01715	0.8
61.98830	23.7
68.02609	0.3
69.98181	1.5
71.01391	2.7
72.99325	0.5
73.02957	0.7
74.99125	1.3
75.00874	0.5
78.95932	0.5
83.01397	0.5
85.02975	0.7
88.04069	0.4
89.02454	0.8
91.52640	0.3
96.95995	0.5
98.19885	0.4
99.00930	0.4
101.02474	2.4
108.12515	0.4
112.36726	0.3
113.02486	1.6
115.00390	0.6
119.03485	0.4
123.03117	0.4
123.04542	0.5
125.02517	1.2
129.02040	0.4
132.03062	0.5
133.01627	0.8
137.02487	0.6
150.04193	3.2
161.04637	0.8
163.94307	0.3
164.05925	0.6
164.07143	0.6
167.03526	0.5
173.20517	0.4
191.61208	0.4
192.05309	0.5
197.04622	1.1
218.10451	0.3
221.06635	0.3
221.10219	2.4
281.06955	0.9
281.11142	0.8
281.24863	2.4
282.03912	0.6
282.08755	0.9
300.98618	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.051
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11760	0.6
59.01370	2.7
69.52502	5.8
71.01015	1.3
71.01386	22.1
72.99292	0.8
78.95933	0.6
82.79371	0.6
89.02458	0.6
96.96039	0.8
102.65707	0.6
115.00382	18.0
115.69760	0.7
118.63369	0.8
119.05042	62.2
120.05365	2.4
133.01443	37.7
133.02473	1.4
134.01697	0.6
148.01601	0.8
163.04024	100.0
164.04550	6.9
191.07640	0.8
192.04289	8.4
207.06616	22.6
207.08557	1.2
208.07001	1.1
235.06059	1.9
279.05002	1.5
279.09091	1.2
279.23260	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	279.0907
Annotation	Unknow
Peak:m/z	Relative Intensity
55.47694	0.6
59.01371	1.3
71.01382	7.1
71.41586	1.2
87.00886	3.7
87.22769	0.5
102.98613	1.7
115.00373	6.3
118.03548	0.5
119.05038	16.9
120.05389	1.0
120.99677	3.7
127.07659	5.3
130.08804	0.7
133.01442	10.8
139.07663	3.6
157.08714	84.8
158.09100	4.0
163.04025	25.3
164.04347	1.6
172.09776	0.9
173.44237	0.6
191.07487	46.0
192.07806	2.0
217.82309	0.6
279.09076	100.0
279.23227	4.5
280.09369	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	279.1601
Annotation	Acrostalic acid
Peak:m/z	Relative Intensity
57.03440	7.7
59.01377	57.0
67.01885	3.7
69.03460	7.8
69.42495	11.6
69.42916	4.2
71.01379	4.0
71.86545	1.4
72.07802	1.6
80.02702	1.8
81.03453	6.2
83.01391	6.1
83.05033	14.6
85.02952	3.2
93.03438	1.9
95.05035	17.6
96.97002	1.5
97.02956	24.8
97.06604	33.0
98.03760	2.4
102.62824	1.3
106.04208	1.9
108.02181	1.9
109.06599	3.4
111.08154	1.7
112.14384	1.4
112.76275	2.0
113.06071	4.7
113.09731	2.0
115.92065	2.7
119.05062	2.2
119.08664	2.7
121.06613	3.5
121.10232	5.8
123.04576	8.4
123.08180	2.9
125.06109	1.8
131.05040	1.5
133.06573	8.4
135.08189	11.1
137.09737	17.2
139.07663	15.9
147.08223	2.1
149.06111	2.9
149.09721	6.6
151.07657	4.1
153.09215	5.7
157.08736	3.8
160.08925	1.8
161.09703	3.2
163.06496	1.6
163.07655	9.4
163.11293	37.0
165.09213	2.5
166.09943	1.5
168.08273	1.4
175.11276	3.1
181.08727	13.3
181.12373	13.1
189.12840	6.0
189.93100	1.7
197.08176	5.8
199.14903	2.7
209.08368	1.8
217.15976	100.0
218.16330	6.5
235.16992	4.4
255.48073	1.8
260.33939	1.7
261.14941	26.3
262.15189	3.2
279.12762	3.1
279.15970	23.0
279.23270	49.3
280.06110	2.8
280.16345	2.9
280.23422	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	277.2172
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
59.01373	0.9
70.18983	1.4
70.19351	0.4
77.77545	0.3
98.20015	0.4
115.09142	0.3
118.75116	0.3
219.54941	0.4
233.22820	0.5
259.20639	0.7
267.89417	0.4
277.21716	100.0
278.22086	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	277.2172
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
59.01106	0.4
59.01378	3.4
69.46178	1.2
69.46604	1.3
71.01378	0.5
75.27798	0.3
131.23599	0.3
134.23029	0.3
146.08232	1.1
205.15892	0.4
233.00967	0.3
233.22554	0.5
249.19029	0.3
259.20651	0.5
277.18439	4.7
277.21704	100.0
278.18951	0.5
278.22067	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.0389
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13121	2.0
59.01392	4.3
61.98821	7.7
66.03488	2.6
70.92393	5.9
71.01392	6.1
71.99572	1.8
73.02944	2.2
75.00874	2.9
77.59389	2.4
82.03001	6.3
87.00872	2.6
98.07217	2.1
105.01942	14.4
110.02495	31.5
111.02020	47.0
115.00398	7.5
117.01906	3.1
122.02524	1.9
140.03607	2.7
142.99861	2.5
152.03476	3.3
153.03085	3.5
179.05624	4.0
200.05704	16.2
222.77794	2.1
243.06223	100.0
244.06590	2.8
279.03912	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	279.051
Annotation	Unknow
Peak:m/z	Relative Intensity
58.70612	0.4
59.01370	0.7
61.83337	0.5
67.19639	0.4
70.73266	1.0
71.01382	16.5
72.01675	0.6
72.99300	3.0
76.64156	0.5
89.02435	2.2
115.00385	35.7
116.00690	1.3
119.05040	33.3
120.05379	1.7
133.01445	100.0
134.01802	1.9
163.04019	33.1
164.04378	2.0
164.07188	0.5
168.75410	0.4
279.08905	0.6
279.23300	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	277.2171
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06692	0.2
52.22643	0.2
52.24789	0.2
53.18371	0.2
59.01101	0.3
59.01377	4.0
67.87531	0.2
69.46513	1.7
70.02970	0.2
71.01383	0.5
71.05020	0.5
72.35284	0.2
81.76666	0.2
81.81747	0.2
84.49452	0.1
87.05634	0.2
98.19846	0.3
121.02946	0.2
127.07646	0.4
130.03290	0.3
146.08244	2.6
146.12166	0.2
147.50314	0.2
205.15913	0.5
217.11897	0.5
233.19044	0.2
233.22755	0.6
259.20627	0.6
259.84055	0.2
275.20102	0.3
277.18375	5.3
277.21698	100.0
278.18497	0.7
278.22049	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	277.2173
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85072	0.2
53.92261	0.2
54.44711	0.2
57.45284	0.2
58.00290	0.3
59.01106	0.4
59.01374	4.2
60.78136	0.2
61.98805	0.3
66.17049	0.2
69.40628	1.9
69.41053	0.6
71.01386	0.7
89.22776	0.2
96.96989	0.5
98.19859	0.4
99.04604	0.3
113.06238	0.3
128.15387	0.2
136.53053	0.2
146.08244	0.6
191.26743	0.2
202.62677	0.2
205.15993	0.9
215.86452	0.2
233.19055	0.4
233.22771	0.5
237.74510	0.2
258.25656	0.2
259.20578	0.4
277.18338	6.4
277.21692	100.0
278.22055	8.7
299.40860	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2173
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	2.6
69.53221	0.7
69.53642	1.8
71.01368	0.4
71.05048	0.3
78.82330	0.3
88.04575	0.3
98.19935	0.5
99.04510	0.3
113.50502	0.3
127.07596	0.3
146.08253	1.9
157.82220	0.3
205.15988	0.5
208.14925	0.3
217.11928	0.8
217.90608	0.3
233.22749	0.4
240.31807	0.3
259.20529	0.5
275.20166	0.6
277.21707	100.0
278.18918	0.6
278.22055	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	277.1227
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02979	3.3
59.01383	3.3
61.98842	0.5
70.02983	12.2
71.01395	3.3
71.05023	19.8
72.00901	0.8
72.99299	0.4
73.02969	0.8
73.11489	0.3
78.95893	0.8
85.02948	1.1
87.00958	0.3
87.05641	7.6
87.99922	0.4
88.36597	0.4
89.02475	0.4
96.96990	1.6
97.04099	0.5
99.04535	6.3
101.02452	1.6
102.01423	0.6
110.34267	0.4
113.02491	1.1
115.05157	1.8
116.07210	3.3
117.03809	4.0
120.99666	0.6
121.03012	0.6
129.05621	1.7
130.03346	8.7
130.04150	0.3
131.03622	0.5
145.06956	1.0
146.08250	100.0
147.04871	6.4
147.06007	4.6
147.08640	2.3
157.12648	0.3
161.04559	0.7
168.92525	0.4
201.79749	0.4
217.11946	21.8
218.12236	0.8
243.13528	0.7
277.07446	2.2
277.12274	53.4
277.21713	7.9
278.12518	3.6
278.21979	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2171
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
51.47695	0.1
53.70233	0.1
55.46584	0.1
56.38120	0.1
59.01380	4.4
71.01391	0.4
71.05033	0.2
71.72744	0.3
73.89792	0.2
83.05019	0.2
102.08406	0.2
109.09769	0.2
121.02978	0.2
127.07665	0.5
127.11237	0.2
134.03741	0.2
146.08249	0.8
205.15994	0.9
217.11899	0.2
219.06656	0.2
233.15416	0.2
233.19060	0.4
233.22711	0.4
235.13365	0.6
259.20557	0.3
275.20178	0.4
277.18292	6.9
277.21695	100.0
278.18588	0.6
278.22046	9.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.1227
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17989	0.6
58.02976	2.9
59.01376	56.7
61.98817	0.9
70.02620	1.0
70.02981	13.2
71.05024	17.6
71.72365	1.2
72.00914	1.5
87.05643	7.2
96.96957	1.7
99.04537	5.7
115.05175	1.6
116.07206	3.7
119.05005	1.0
121.02956	0.9
129.05577	1.3
130.03349	10.0
146.08247	88.8
147.06010	5.2
147.08600	3.2
205.15976	12.5
217.11916	20.9
218.12076	0.8
219.06570	0.9
233.15544	0.7
233.19147	6.0
263.78571	0.6
275.43384	0.7
276.99643	0.6
277.12308	45.8
277.18149	100.0
277.21732	45.0
278.12668	3.0
278.18463	9.2
278.22067	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	277.1226
Annotation	Pantetheine
Peak:m/z	Relative Intensity
51.25330	0.2
58.02968	3.4
59.01386	1.4
69.65916	1.1
69.66348	1.0
70.02979	12.1
71.01376	1.1
71.05022	21.7
72.00928	0.8
72.05319	0.4
73.02922	0.4
74.99100	0.5
78.69455	0.3
82.52847	0.3
83.05058	0.3
85.02981	0.4
87.05646	7.5
87.06165	0.5
90.82482	0.3
96.96966	0.6
97.04079	0.3
98.20760	0.3
99.04527	7.1
112.59409	0.3
113.84615	0.3
115.05152	1.8
116.07192	3.8
117.03808	0.3
119.05025	0.6
129.05603	1.6
130.03339	10.5
131.03668	0.4
143.07114	0.5
145.06947	0.3
146.08246	100.0
147.04825	0.7
147.05977	5.8
147.08586	2.7
163.04085	0.3
173.08163	1.1
181.08701	0.9
217.11937	23.3
218.12256	1.2
241.10724	0.3
243.13432	0.6
277.12283	54.4
277.21710	4.8
278.12558	3.8
278.22104	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.1082
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38039	0.3
59.01378	1.8
65.03960	0.3
67.01884	3.4
71.01363	0.4
71.72165	0.3
78.95898	0.4
89.03986	0.8
96.96976	0.9
107.01407	0.6
107.05045	1.7
121.02960	0.8
129.07146	0.3
131.05052	2.0
131.08698	2.7
133.03072	0.3
146.08260	0.7
147.04512	2.0
147.08182	0.6
149.02458	2.3
149.06105	0.5
157.06641	1.7
159.03180	0.3
161.02402	0.5
173.06050	0.7
174.46419	0.3
175.04016	15.0
175.07645	10.9
176.04355	0.7
176.08041	0.7
177.00351	0.3
177.01938	6.0
178.02272	0.3
187.39354	0.2
197.09795	0.4
199.15717	0.3
201.05634	1.7
205.05087	0.8
215.07144	0.7
215.10780	1.2
217.05025	0.4
219.06615	58.7
220.06931	3.9
241.08670	0.4
247.09984	0.3
259.09744	6.9
260.10162	0.6
277.10791	100.0
277.21652	8.3
278.11121	8.4
278.22067	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.1225
Annotation	Pantetheine
Peak:m/z	Relative Intensity
58.02701	0.3
58.02971	3.6
59.01379	0.7
63.21846	0.1
65.50618	0.2
70.02979	11.6
71.01374	0.5
71.03307	0.3
71.05019	21.2
71.71231	0.2
72.00898	0.9
72.05366	0.3
74.02455	0.2
74.99099	0.2
76.02276	0.5
76.92813	0.1
87.05640	7.6
96.96960	0.3
97.04092	0.3
98.06108	0.3
99.04526	7.7
100.04848	0.2
113.07202	0.2
114.05614	0.3
115.05153	2.0
116.07191	4.1
120.99660	0.5
129.05591	1.7
130.03337	10.6
131.03683	0.4
146.08241	100.0
147.05992	6.0
147.08583	3.6
204.05484	0.2
217.11925	24.5
218.12221	1.1
243.13524	0.9
277.12253	53.3
277.21692	2.6
278.12555	3.8
278.21933	0.2
278.60629	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.1226
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02956	2.2
59.01371	11.5
61.98811	0.9
70.02981	12.3
71.01390	1.5
71.05022	17.4
72.05370	0.8
73.05512	0.8
87.05632	8.0
91.01867	1.3
99.04536	7.4
105.45706	0.8
115.05191	1.7
116.07166	3.3
120.02209	1.3
121.02970	32.6
129.05562	1.6
130.03322	10.7
134.76854	1.0
136.01674	1.3
143.04494	0.9
146.08246	100.0
147.05995	4.5
147.08559	3.4
205.15955	2.4
217.11951	21.3
218.12051	0.9
229.80635	0.9
277.12210	45.0
277.14606	9.4
277.18173	19.9
277.21704	79.2
278.12476	2.1
278.15277	1.1
278.18668	1.6
278.22003	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	277.1081
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22555	0.3
55.01880	0.7
59.01380	1.1
59.57073	0.2
61.98852	0.7
65.00314	0.3
65.16887	0.3
70.63900	0.9
77.03961	0.3
77.44846	0.2
79.05535	1.3
80.96520	0.4
82.95106	0.3
88.54691	0.3
89.51878	0.3
93.91869	0.3
96.97015	0.4
105.92634	0.3
107.01400	0.6
107.05050	2.5
119.05037	0.6
119.08684	10.8
120.09095	0.4
121.02995	0.4
121.06596	0.6
127.04080	0.2
130.04250	0.3
133.06671	0.3
134.07404	1.0
135.04539	1.0
135.08162	0.7
145.06612	2.4
148.05281	0.3
161.06094	3.4
162.06889	4.1
163.04013	1.2
163.07664	25.0
164.08005	1.0
171.04550	0.9
173.02505	0.6
174.03188	0.7
187.03949	0.3
189.05563	2.8
191.03464	0.5
197.09695	0.3
205.05064	0.5
206.05888	3.0
207.06627	63.3
208.06972	3.5
215.07069	0.9
215.10738	1.8
219.06621	1.6
238.04831	7.2
239.05089	0.5
241.08702	0.9
259.09732	14.3
260.10132	1.5
275.08948	0.5
277.10791	100.0
277.21658	7.5
278.11139	9.2
278.21893	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.1082
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	1.1
70.91747	0.8
79.05540	1.2
94.79952	0.3
96.96066	0.3
96.96968	0.6
99.33141	0.3
107.01438	0.4
107.05038	2.4
119.05002	0.4
119.08679	10.0
120.09026	0.4
121.03001	0.3
121.06607	0.5
122.45309	0.3
134.07396	1.2
135.04524	0.4
135.08107	0.4
140.10455	0.3
143.29822	0.3
145.06602	2.3
147.04425	0.4
148.05302	0.4
161.06085	2.5
162.06900	4.0
163.04044	1.6
163.07666	24.1
164.07988	1.2
166.40881	0.3
171.04553	0.6
173.02406	0.7
174.03232	0.6
175.07600	0.4
189.05542	2.7
191.03502	0.4
193.98224	0.3
197.09692	0.4
205.05098	0.4
206.05882	3.1
207.06630	60.2
208.06970	3.7
215.07140	0.7
215.10768	1.7
219.06680	1.1
223.50172	0.3
238.04805	6.1
239.05190	0.4
241.08650	0.9
259.06961	0.6
259.09738	12.0
260.10031	1.1
275.09177	0.7
277.10800	100.0
277.21658	6.0
278.11139	8.9
278.14301	0.4
278.22055	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.1079
Annotation	Avicennone G
Peak:m/z	Relative Intensity
59.01372	1.3
61.98818	0.4
62.42600	0.3
65.03973	0.3
67.01888	3.2
69.39327	0.6
69.39734	2.1
70.02996	0.6
71.05029	1.3
78.95916	0.3
79.05592	0.3
87.05682	0.5
87.38692	0.3
89.03996	0.5
96.96994	0.7
99.04567	0.5
102.36171	0.3
107.01423	0.6
107.05026	1.5
113.02536	0.3
117.03524	0.3
128.89148	0.3
129.07132	0.4
130.03336	0.8
130.04224	0.3
131.05042	1.7
131.08684	2.8
133.06622	0.5
146.08237	5.8
147.04561	2.4
147.06039	0.3
147.08304	0.3
149.06107	0.4
157.06619	1.8
159.04543	0.3
160.76340	0.3
173.06046	0.3
175.04018	16.0
175.07637	11.1
176.04361	0.8
197.09750	0.6
201.05550	1.3
205.05089	1.2
215.07129	1.2
215.10747	1.2
217.05025	0.7
217.11917	1.4
219.06618	64.7
220.06966	4.1
241.08716	0.6
253.39499	0.3
259.09714	7.1
260.10071	0.6
277.10767	100.0
277.21606	5.8
278.11111	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	277.1081
Annotation	Isomarasmone
Peak:m/z	Relative Intensity
52.07120	0.3
54.37922	0.3
65.00343	0.3
65.03954	0.3
69.63755	2.1
78.61738	0.2
79.05540	0.6
80.96545	0.8
87.82239	0.2
93.03474	0.6
95.05036	2.4
105.07143	0.4
107.01414	0.9
107.05045	3.0
129.07117	0.4
133.06541	0.3
134.07397	0.6
135.07811	0.3
144.78152	0.3
147.08099	0.3
148.05342	0.3
149.06131	0.6
159.08185	0.4
159.11794	1.2
161.06110	0.9
162.06874	4.1
173.02504	0.9
174.06764	0.3
175.07675	0.9
175.11316	0.3
185.09714	0.9
187.07629	0.4
188.08484	0.5
197.06018	0.3
197.09625	0.5
200.04730	0.3
201.09317	0.4
203.07135	2.8
203.10776	8.2
204.11156	0.9
205.05168	0.5
206.05838	2.4
207.06252	0.3
208.67807	0.3
211.07669	0.9
214.06332	0.3
215.07162	1.1
215.10747	1.9
217.05070	2.6
219.06706	0.3
229.08669	0.8
232.07347	0.4
238.04836	5.1
241.08817	1.3
245.08177	1.2
246.08723	0.5
247.09741	41.4
248.10080	3.7
259.09729	8.8
260.10126	0.7
275.09097	0.3
277.10794	100.0
277.21756	1.1
278.11139	9.1
296.36145	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	276.1241
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	2.6
59.01376	3.8
61.98825	2.8
70.56708	3.3
70.57098	3.5
83.01396	1.8
86.15313	1.4
91.05576	2.1
96.96934	2.2
114.33396	1.7
118.06606	1.6
124.01674	7.9
125.09769	2.6
128.07190	26.8
146.08284	2.5
149.09750	4.2
150.03252	2.3
161.02438	2.1
189.13167	7.8
193.05042	2.5
193.08705	47.5
205.05089	6.7
219.06554	3.4
232.13411	100.0
233.13741	7.4
246.49921	2.0
255.39110	1.6
276.12396	3.0
277.10803	24.1
277.14648	6.2
277.21658	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.108
Annotation	Unknow
Peak:m/z	Relative Intensity
55.45097	0.3
59.01380	1.2
61.98821	0.6
69.94912	1.9
71.01400	0.5
72.09407	0.2
79.05569	0.4
80.34750	0.3
93.03490	0.5
95.05027	1.5
96.96987	0.9
105.07099	0.3
107.01432	1.0
107.05047	1.8
109.08245	0.3
112.06252	0.3
121.02934	0.4
122.19992	0.3
131.08595	0.4
134.07370	0.3
134.89510	0.3
148.05170	0.3
149.06113	0.5
159.11844	1.1
161.02487	0.5
161.06108	0.9
162.06882	3.0
163.07703	0.4
171.08124	0.4
173.02495	0.4
175.04015	0.3
175.07706	0.5
175.11314	0.4
179.63062	0.3
185.09782	0.3
197.09726	0.8
199.07611	0.5
201.09314	0.3
203.07170	2.1
203.10799	8.1
204.11093	0.5
205.04919	0.3
206.05876	2.1
207.06590	0.3
211.07730	0.7
215.07092	1.1
215.10727	1.7
217.05124	1.8
217.06992	0.3
219.06697	0.8
229.08743	0.7
238.04816	3.9
239.05066	0.3
241.08902	0.7
245.08188	0.9
247.09740	37.6
248.10072	3.2
259.09732	8.4
260.10071	0.8
275.09229	0.4
277.10794	100.0
277.21671	11.5
278.11139	8.3
278.22086	0.6
297.79309	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2017
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	7.9
69.03449	0.5
70.95350	1.3
71.01390	1.2
71.06859	0.4
75.82811	0.4
83.05015	0.4
97.24193	0.5
98.43565	0.5
99.21693	0.4
125.89817	0.4
152.43517	0.4
177.16504	3.1
180.36884	0.4
203.18040	0.9
214.13924	0.4
231.21173	12.5
232.21544	1.5
257.19168	1.2
275.20154	100.0
276.20490	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	275.2015
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85306	1.3
67.06973	1.3
67.08957	1.3
71.39723	3.2
71.87186	1.2
72.72938	1.5
96.91557	1.3
182.50790	1.4
231.21184	100.0
232.21541	9.9
275.20242	5.8
276.20337	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	275.1652
Annotation	Watsonol B
Peak:m/z	Relative Intensity
57.03445	6.4
59.01363	1.2
62.94547	0.6
63.99554	1.0
65.00314	0.7
65.03963	1.9
67.01888	2.0
68.50175	0.6
68.98356	0.6
68.99461	0.6
68.99812	1.7
69.03458	13.8
70.14504	2.2
70.14913	1.2
71.01382	3.6
71.05025	1.2
75.02380	1.0
76.04283	0.7
79.05532	2.4
80.02709	1.5
81.03459	6.6
83.29870	0.7
84.02168	3.0
86.01637	2.0
87.02413	23.7
88.02788	0.8
91.05527	1.9
93.03470	10.9
94.03753	0.7
95.01395	39.8
95.05030	11.1
96.01714	0.9
97.02937	0.9
103.01914	1.3
105.03472	80.3
106.04323	9.1
107.05042	98.0
108.02163	3.4
108.05386	3.3
109.02988	0.8
109.06609	2.3
111.08268	0.7
117.07110	2.6
118.04259	2.2
119.05052	6.8
121.02976	2.9
121.06609	6.4
123.04554	3.4
125.09772	0.9
127.11317	9.7
128.06346	4.2
130.04260	5.0
131.05022	3.0
132.05840	1.4
133.02980	2.9
133.06622	6.3
134.03731	1.6
135.04539	5.3
135.08180	1.1
135.11719	0.9
139.11290	3.0
141.12865	1.0
143.05031	8.9
144.05789	2.5
145.02953	5.6
145.06645	3.4
146.03757	4.2
147.04541	15.5
148.05168	1.0
149.13399	0.8
151.03998	1.4
151.11325	5.6
157.06639	0.9
158.03751	2.0
158.07343	0.8
159.04526	5.0
160.05315	4.3
161.02483	1.5
161.06096	22.6
161.13362	7.5
162.06784	2.8
162.13766	1.0
163.07664	10.8
163.11269	0.8
164.08003	0.9
165.09169	1.1
167.10806	10.1
169.06516	1.3
169.12358	9.3
171.04533	7.0
171.08246	0.8
172.05310	16.8
173.06018	1.4
175.11263	0.8
177.12813	1.5
178.02596	0.7
179.14412	2.0
181.12337	1.4
182.07367	0.9
185.06084	5.8
186.06847	3.7
187.11273	1.5
187.14920	1.4
189.05673	0.7
189.16628	0.7
190.06319	2.4
191.14423	1.3
193.12340	2.0
199.07620	1.6
200.08331	1.1
201.12807	1.1
203.14388	7.9
205.05043	6.3
205.12329	8.5
207.44836	0.8
213.16525	7.9
214.16869	0.9
215.14365	7.0
217.05083	3.2
219.13919	6.2
220.14594	1.2
229.15941	8.2
230.16397	1.2
231.17516	1.9
233.15468	5.1
239.14404	2.8
242.13301	0.9
247.17081	1.5
257.15460	73.2
258.15732	6.1
275.12946	14.0
275.16489	100.0
276.13644	1.0
276.16785	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	275.1137
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00301	0.4
55.01880	0.2
57.03453	0.3
58.00586	0.5
59.01378	3.6
61.98821	0.2
68.99814	0.2
69.66264	0.6
69.66685	0.5
71.01385	100.0
72.01724	1.8
72.99299	0.3
73.02956	1.8
81.03455	0.2
83.01398	0.2
83.05030	0.5
84.02169	0.2
85.02953	1.3
87.00892	0.3
89.02430	0.8
89.07679	0.1
95.01404	0.2
95.05044	0.2
98.19913	0.3
99.00919	0.4
101.02459	1.3
111.04539	0.4
113.02464	1.1
113.06110	1.1
114.52300	0.2
116.05044	0.2
119.03489	0.4
123.04491	0.2
125.06113	0.2
129.05623	0.2
151.04073	0.2
161.04585	0.2
173.08157	0.3
193.07718	0.4
213.09195	0.4
240.67488	0.1
257.08200	0.3
275.03329	0.3
275.11459	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	275.1287
Annotation	Ethambutol Hydrochloride
Peak:m/z	Relative Intensity
57.03447	0.9
57.55653	0.5
58.53534	0.5
59.01379	3.7
61.98834	1.0
63.73956	0.5
69.03456	1.4
69.97883	2.3
69.98292	1.2
70.36279	0.5
71.01374	0.7
78.50649	0.5
81.03460	0.9
81.99451	0.5
87.02405	3.1
92.34516	0.6
93.03474	2.1
95.01408	5.3
95.05025	1.4
105.03468	10.0
106.04266	1.1
107.05034	13.0
108.02212	0.7
108.05411	0.8
111.00835	0.7
112.98575	0.7
113.02462	0.7
116.92883	1.2
117.03450	0.8
119.05016	1.3
121.02942	0.5
121.06597	0.8
127.11324	1.7
130.04227	0.6
131.05003	0.6
133.03015	0.8
133.06609	0.9
134.03769	4.0
135.04536	0.6
136.21530	0.5
143.05051	0.9
145.02939	1.4
146.03725	0.5
147.04547	1.9
151.11307	1.0
159.04468	0.8
161.02477	6.8
161.06085	4.2
161.13382	1.2
161.14697	0.5
163.07620	1.1
167.10788	1.1
167.14001	0.5
169.12367	0.7
171.04469	1.2
172.05309	1.6
173.02437	1.6
173.06078	2.7
178.02748	1.1
183.59016	0.5
185.06113	0.8
192.04384	0.7
193.05016	3.8
203.14363	1.4
204.46931	0.6
205.05061	40.1
205.12340	1.3
206.05354	2.5
213.16541	1.5
215.14429	0.9
217.05061	19.2
218.05283	1.3
219.13863	0.9
220.14630	1.3
227.07126	1.0
229.15968	0.8
231.10384	1.0
245.08180	1.0
252.06389	0.7
257.15491	8.1
258.15805	0.7
259.09753	1.2
275.12888	100.0
275.16422	11.6
276.13242	9.6
276.16245	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0383
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	1.9
58.85469	1.1
59.01384	2.6
61.98533	1.7
61.98834	23.4
70.03098	3.3
70.03525	2.2
71.01389	16.8
72.99317	3.4
73.02949	41.4
75.00872	1.7
78.95923	3.7
80.91699	10.3
83.01405	2.6
85.02949	2.3
87.00882	3.0
88.98828	5.3
99.00887	14.0
104.97716	1.1
110.98557	2.2
111.00901	4.7
112.98829	11.6
115.00384	16.1
117.01957	100.0
118.02310	3.4
119.94784	1.4
124.98813	2.2
129.01938	5.1
133.01448	31.4
142.99889	4.6
147.03038	1.5
156.99890	1.8
169.00020	1.8
173.00926	18.1
191.01880	2.1
191.05731	1.1
212.98907	2.1
225.69247	1.1
241.01256	1.3
265.23920	1.3
273.03873	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	273.0769
Annotation	Unknow
Peak:m/z	Relative Intensity
57.40413	0.6
59.01368	2.1
61.98851	0.6
65.33238	0.6
71.01377	0.6
71.66794	0.7
71.67139	0.8
72.99274	0.5
91.01885	0.8
95.01397	1.2
99.92599	0.8
108.02187	9.8
109.02515	0.6
115.92130	0.8
116.92857	1.4
120.02206	2.8
148.01680	7.0
176.01170	100.0
177.01523	5.9
178.99883	0.6
193.07736	1.1
231.43216	0.6
273.03549	1.4
273.10983	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.092
Annotation	Unknow
Peak:m/z	Relative Intensity
56.09727	0.2
57.03448	0.9
61.43003	0.2
65.00314	0.3
65.86020	0.2
68.51698	0.2
71.72317	0.2
71.72769	0.3
79.05534	0.2
81.03449	0.3
85.02965	0.2
93.03455	0.4
95.05034	1.5
105.07095	0.2
107.01380	0.4
107.05039	0.9
108.02080	0.2
109.59190	0.2
117.07085	0.3
123.04565	0.3
134.07394	0.5
135.64478	0.2
143.04948	0.2
144.05811	0.2
147.04518	0.2
148.05307	0.7
149.06070	0.7
151.04005	0.3
157.06584	0.3
159.08165	0.7
159.11800	0.8
161.02431	0.2
161.06079	1.1
162.06885	2.8
164.04802	0.6
170.07376	0.5
171.08171	0.2
172.05345	0.2
172.26955	0.2
173.02390	1.2
173.06059	1.5
174.06659	0.2
175.03941	0.2
175.07582	0.5
175.11311	0.2
183.08142	0.2
185.02466	0.6
185.09698	0.6
187.07637	0.9
187.11258	0.7
188.04803	0.4
188.08389	0.4
192.04263	1.5
198.06787	0.2
201.09222	0.4
203.07190	1.6
203.10780	5.8
204.11130	0.3
205.04976	0.5
206.05804	2.0
211.07660	1.2
213.05588	0.6
213.09166	0.6
214.06242	0.2
216.07878	0.3
217.05052	12.4
218.05414	0.7
227.03468	0.3
229.08693	1.5
231.06628	0.8
231.10292	1.2
232.03772	1.4
232.07318	1.3
238.04814	3.9
239.07195	0.4
242.05688	0.4
245.08089	0.3
247.09735	21.4
248.10088	1.7
257.08093	1.1
260.06885	2.8
275.09219	100.0
276.09570	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	271.2278
Annotation	2-hydroxyhexadecanoic acid
Peak:m/z	Relative Intensity
55.01873	0.5
57.03467	0.2
59.01375	0.7
61.98829	0.6
70.58750	0.6
71.94630	0.2
71.99154	0.2
72.99316	0.3
73.38346	0.2
84.02187	0.3
89.02454	0.3
117.37196	0.2
119.05045	1.0
119.91943	0.2
133.06142	0.2
151.00369	0.7
195.64601	0.2
197.19139	1.0
221.19118	0.9
223.20674	4.8
224.20982	0.6
225.22241	61.7
226.22552	4.8
253.21637	1.3
269.21210	0.5
271.06091	1.6
271.22769	100.0
272.23126	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	273.0015
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39323	0.5
55.01875	2.6
57.03456	0.7
59.01373	3.9
60.99269	0.6
61.98824	2.4
69.97399	3.0
71.01380	4.2
72.99305	1.0
73.02950	39.3
75.00873	4.6
78.95910	2.1
83.01415	0.8
85.02950	0.6
87.00880	1.1
88.98846	1.1
90.97128	0.9
93.83147	0.5
96.96969	0.9
99.00887	6.8
100.98790	0.6
101.02435	0.7
104.98577	0.6
110.06117	0.6
110.98575	1.3
111.00899	0.8
111.06466	0.6
112.98820	1.4
115.00390	9.2
115.13967	0.6
116.92892	2.3
117.01953	100.0
118.02276	2.7
126.98852	1.9
127.97512	0.7
129.01947	1.8
130.08832	0.8
131.02002	3.1
133.01450	10.2
133.05106	0.5
139.47914	0.6
142.99905	1.8
144.98209	5.4
146.99770	3.5
148.98599	1.1
156.91406	0.6
156.99950	12.4
157.99998	1.3
160.96474	0.7
161.39717	0.6
168.99977	3.5
172.88628	0.5
172.97699	31.9
173.00905	1.2
173.03043	1.2
173.98079	0.8
174.96550	2.0
175.02528	2.7
175.03886	0.6
180.88463	0.6
186.99269	1.6
187.00909	1.0
192.97614	0.7
199.01070	1.7
201.05896	0.9
205.03458	0.7
212.97127	3.1
212.98930	10.4
213.99130	0.9
219.01511	1.1
229.01982	0.7
236.96510	2.2
254.98291	1.6
272.99182	5.4
273.03757	2.4
273.09900	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.2121
Annotation	16-Oxo-palmitate
Peak:m/z	Relative Intensity
59.01373	0.8
61.98829	1.6
73.92786	0.2
75.00415	0.3
78.28597	0.3
85.06590	0.3
87.00887	0.7
89.02465	0.8
97.06596	0.8
99.08163	3.8
113.09774	1.8
123.08197	0.3
125.06116	0.9
141.09276	0.5
143.07167	4.2
153.12868	0.9
195.81934	0.3
223.20677	0.8
225.18562	0.3
225.22108	0.3
251.20168	1.0
267.19714	1.6
269.21207	100.0
270.21533	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	269.212
Annotation	2-keto palmitic acid
Peak:m/z	Relative Intensity
50.76278	0.5
52.10451	0.5
55.01847	0.8
57.03429	2.1
61.98828	1.2
69.03432	0.5
69.82385	3.8
71.01392	2.4
71.05029	7.7
81.03480	0.8
83.05024	2.1
98.20727	0.6
99.00878	1.1
109.22454	0.5
116.23690	0.5
116.90530	0.5
130.20819	0.5
144.91768	0.5
169.16000	0.6
188.59383	0.5
195.17552	2.0
197.19118	34.8
197.93642	0.6
198.19473	2.3
221.19037	0.6
223.20674	12.8
224.21021	1.2
225.22241	32.9
226.22533	2.1
251.20168	5.7
253.47852	0.5
269.21207	100.0
270.21555	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	270.0102
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	1.6
60.99898	0.4
61.98830	100.0
63.99256	0.4
70.02985	0.8
70.29311	0.3
71.01379	4.5
71.70755	0.5
72.99316	1.1
73.02959	1.8
75.00891	0.7
78.52402	0.3
78.95911	3.2
85.57683	0.4
87.00893	0.9
90.01976	0.4
96.96002	0.4
96.96961	4.6
97.87087	0.4
99.00896	2.2
100.98802	0.4
101.02449	0.5
107.01443	0.5
108.02190	1.7
109.02991	0.6
113.07217	2.5
114.01993	1.1
115.00367	3.0
116.92860	0.5
117.01948	4.1
119.05070	1.1
124.98865	0.5
133.01428	0.8
141.00484	0.5
142.99908	1.2
145.01436	6.0
145.65468	0.5
151.00336	0.8
152.03571	0.7
170.99376	0.7
172.97749	0.8
173.00917	0.7
175.02516	2.3
184.10941	1.1
189.00597	0.6
189.62943	0.4
198.99255	0.7
210.08928	0.5
210.97424	1.6
211.00174	1.1
251.99945	2.2
252.09932	1.1
269.21249	1.4
269.24728	2.0
270.08392	0.9
270.10968	1.6
270.21637	1.5
270.25375	0.6
270.97366	2.0
271.06195	1.4
271.22955	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0227
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63758	2.5
50.77869	2.0
57.03425	2.2
59.01369	10.8
61.94921	1.9
61.98829	50.2
71.01377	18.7
71.67577	2.4
72.99313	9.0
73.02951	29.8
75.00873	4.5
78.91874	3.4
78.95907	29.6
83.01389	4.4
85.02953	7.3
87.00896	4.1
87.89425	1.9
89.02474	4.2
93.03485	3.7
96.96026	5.0
96.96967	37.1
99.00883	12.6
100.98813	7.7
101.02490	4.4
103.00393	6.5
107.01418	5.6
108.02180	100.0
109.03020	11.1
110.06127	9.9
113.02431	4.6
115.00378	15.8
117.01963	55.9
119.05002	10.8
122.03680	2.8
128.07199	7.2
129.00459	4.3
130.08768	4.9
132.02986	2.2
133.01447	8.6
135.03134	2.9
135.04576	2.2
142.99930	14.5
144.98169	7.8
145.01419	2.1
151.00392	9.9
151.03990	4.4
154.91563	3.5
156.99899	4.3
161.00983	3.1
161.04564	7.6
172.00984	2.8
172.97646	18.0
173.00853	4.6
175.02486	39.1
177.01845	2.2
177.04025	2.3
182.04611	4.0
184.99503	2.5
198.99321	10.5
200.05649	10.8
201.00795	6.7
210.97353	12.8
211.00140	8.6
226.98756	4.0
233.32608	2.3
270.97604	23.8
271.06042	18.2
271.08447	4.8
271.22833	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	271.061
Annotation	Pinobanksin
Peak:m/z	Relative Intensity
53.14994	0.4
57.03447	0.9
59.01375	3.6
61.98829	1.3
63.02392	9.4
65.00323	15.8
65.48463	0.5
69.36945	2.3
69.37367	3.0
71.01396	0.4
73.02943	0.8
74.02435	0.5
82.83539	0.5
83.01389	9.0
93.03467	12.9
93.04037	0.9
99.92538	0.4
107.01402	24.1
108.02237	0.8
109.02983	1.1
119.05042	68.5
120.05384	2.1
121.02927	1.1
125.02470	1.5
143.04721	1.1
145.02966	1.3
151.00389	56.0
152.00743	2.0
156.67215	0.5
161.06116	1.5
165.01906	3.0
167.14482	0.5
169.01453	5.1
177.01961	7.6
179.14445	0.9
185.06041	1.2
185.13350	0.6
187.03992	2.2
188.95166	0.5
197.15413	0.9
209.15520	1.7
211.13293	2.9
211.15106	1.0
219.13815	0.5
227.07214	1.2
229.05087	0.6
229.15982	1.2
233.15511	0.7
235.13501	1.1
235.17097	1.3
237.14960	0.6
238.13618	2.1
253.05180	0.7
253.13831	0.8
253.16374	2.5
271.06097	100.0
271.15579	5.5
271.19135	17.5
271.22583	2.2
272.06479	7.5
272.15952	0.5
272.19345	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.2277
Annotation	16-hydroxy hexadecanoic acid
Peak:m/z	Relative Intensity
59.01376	0.5
63.02396	0.3
65.00306	0.3
70.16701	1.2
74.98486	0.2
107.01363	0.3
111.65974	0.2
119.05023	1.0
127.31163	0.2
130.56839	0.2
136.40480	0.2
151.00363	1.0
225.22238	3.7
226.22461	0.4
253.21667	1.2
269.21167	0.7
271.06161	1.9
271.22757	100.0
272.23111	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	269.103
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56154	0.8
55.01878	9.2
57.03454	7.6
57.05032	0.7
58.00581	2.9
59.01377	41.3
60.01718	0.8
61.98821	7.1
69.03452	1.9
70.87811	1.0
70.88145	1.7
71.01385	100.0
72.01720	2.2
72.99313	5.5
73.02948	32.8
73.03361	1.7
74.02463	1.4
75.00890	2.2
83.01391	17.4
84.24628	0.8
85.02955	50.5
86.00071	1.0
86.03241	1.1
87.00883	7.2
89.02451	7.8
93.03464	13.6
94.25278	0.8
95.01386	6.4
95.03482	0.7
97.02948	2.1
99.00890	15.2
101.02451	77.8
102.02773	2.4
107.05012	0.7
111.00880	1.8
113.02456	40.6
118.02977	1.1
119.03321	0.9
121.02982	0.9
125.02439	2.1
129.01953	2.3
137.02452	23.3
139.00352	1.1
143.03496	4.0
159.03011	9.6
161.04562	31.7
162.04855	1.4
166.06311	1.0
181.06865	0.9
205.03557	2.2
209.07214	1.3
225.05937	0.8
265.94022	0.9
269.04712	1.7
269.10263	11.6
269.13333	1.6
269.21170	17.5
269.24753	7.1
270.10693	1.1
270.21439	0.9
280.01450	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03457	1.7
59.01376	100.0
60.01711	1.2
60.99316	0.5
61.98829	1.6
70.58973	1.8
77.31982	0.5
83.05034	0.7
86.36425	0.5
87.00887	1.0
89.32566	0.5
95.05048	0.6
97.06499	0.6
99.04533	2.8
108.17332	0.5
109.06612	1.3
112.81225	0.5
117.72318	0.6
163.11249	1.0
165.12872	8.2
189.12877	1.7
189.89575	0.5
191.10811	1.0
195.94766	0.6
207.13893	16.0
208.14372	0.7
209.11824	19.6
210.12177	1.6
225.14992	11.7
226.15192	0.6
241.28889	0.5
251.12842	9.2
252.13367	0.8
253.08415	0.6
269.13916	92.2
269.21204	5.0
269.24811	1.9
270.14258	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	269.187
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25711	0.8
57.03431	1.1
58.02975	83.5
58.39169	0.7
59.01378	4.7
61.98834	11.1
70.02978	9.0
71.01379	3.9
71.05036	1.0
71.72375	1.2
72.00911	13.9
78.95892	1.5
80.23036	0.7
81.02203	9.6
81.03479	2.2
82.02995	1.0
83.05046	1.4
85.02975	0.9
86.02492	2.1
87.46474	0.8
89.02462	1.4
96.00925	32.1
97.01219	1.0
98.02482	1.1
109.05347	1.0
111.00910	0.7
114.02013	3.3
121.06724	0.8
128.53804	0.8
152.14456	1.4
154.16043	0.7
155.09178	0.7
158.48720	0.7
166.91081	0.9
172.13911	0.7
177.96138	0.8
181.15984	5.0
182.03749	2.5
182.19177	5.9
183.13934	0.9
184.45872	0.7
190.16026	2.3
198.15094	1.0
208.17073	59.9
208.91718	0.8
209.16589	5.1
225.09238	2.2
225.15041	2.3
225.19728	24.6
225.21953	1.6
226.02643	1.9
226.18124	9.8
226.20088	1.2
249.16229	1.3
251.17664	13.2
251.20032	1.2
252.16028	13.5
253.16266	0.9
269.08191	6.7
269.18713	100.0
269.21283	14.0
269.24881	9.3
270.08676	0.9
270.19049	7.8
270.21609	1.3
270.25235	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1964
Annotation	15-Methoxyisodauc-3-ene-1beta,5alpha-diol
Peak:m/z	Relative Intensity
52.25121	0.4
57.03449	3.7
59.01379	8.0
61.98818	0.6
69.03464	0.6
71.01373	1.7
73.02915	0.6
81.02216	0.5
83.05019	0.5
85.02955	0.7
87.00887	1.8
88.00378	0.4
95.05039	1.5
97.06599	8.6
99.00882	1.1
99.08163	1.8
101.02470	0.8
113.09738	6.8
125.06060	2.0
137.96109	0.5
139.39128	0.4
143.07156	31.5
144.07484	1.3
146.27937	0.5
151.11336	1.5
155.07178	1.5
157.08743	0.5
163.95479	0.4
169.12378	4.1
175.58664	0.4
193.15982	0.5
205.19730	0.8
209.01273	0.5
223.20592	1.3
227.26312	0.6
231.17522	0.6
241.61749	0.6
249.18579	31.1
250.18958	3.4
267.19632	100.0
268.17188	0.8
268.19995	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	268.0309
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92613	0.5
58.10126	0.4
59.01373	0.5
61.98831	100.0
70.95988	0.5
71.01386	1.4
71.10715	0.8
87.62284	0.5
89.02456	1.3
115.00404	3.0
133.01518	0.6
173.00893	0.5
237.86313	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.0308
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15099	0.4
54.26729	0.4
54.55396	0.4
61.98828	100.0
70.28352	1.5
71.01379	0.9
82.61169	0.4
99.00913	0.4
105.13589	0.4
113.12422	0.3
115.00440	0.5
120.56462	0.3
124.55901	0.3
128.07198	0.4
130.08775	1.4
135.03142	0.7
136.03487	0.8
142.99872	0.5
173.01038	0.6
178.31386	0.3
190.08508	0.4
247.31755	0.4
267.94907	0.5
268.07581	0.5
269.21417	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.0682
Annotation	Unknow
Peak:m/z	Relative Intensity
57.97559	9.9
59.01096	1.0
59.01374	11.1
60.01707	1.9
60.97527	1.4
63.96232	0.8
70.68843	2.0
71.05014	1.9
76.97021	2.9
79.95739	85.5
80.96521	18.8
87.00864	1.0
87.04504	1.1
87.69524	0.6
95.06145	0.6
95.95220	1.1
96.95992	0.5
108.96024	9.5
114.03873	0.8
126.12894	4.3
132.04927	0.8
140.93242	33.3
163.94873	0.8
170.11879	1.3
172.13443	10.4
178.98347	0.9
186.09560	2.1
193.05074	0.6
195.98676	1.4
208.01035	0.9
209.11713	0.8
210.99756	3.9
224.13748	5.9
225.01372	6.1
236.09613	85.1
237.09900	5.2
249.07494	0.7
250.05779	2.9
268.06805	100.0
269.07062	5.7
269.13892	3.4
269.18600	0.6
269.21188	3.4
269.24811	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	268.0823
Annotation	Unknow
Peak:m/z	Relative Intensity
57.10437	0.6
59.01373	2.9
61.98830	100.0
71.39355	0.6
71.39702	1.0
72.99310	0.8
89.02451	1.6
89.34093	0.6
91.01905	0.6
95.01456	0.8
98.72571	0.6
117.54404	0.7
121.02900	0.7
123.00931	0.7
137.02461	0.8
166.02319	1.5
226.93311	1.3
236.06627	0.7
263.17059	0.6
268.16229	0.9
269.08643	1.1
269.17804	1.7
269.21286	4.0
269.24429	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1028
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98583	1.0
55.01880	11.3
57.03446	7.3
57.69806	1.1
58.00595	3.3
59.01376	56.0
61.98828	4.1
69.03474	1.4
71.01382	100.0
72.01733	1.5
72.99306	4.1
73.02947	38.7
75.00905	2.6
83.01391	19.5
85.02955	53.7
86.00117	1.4
87.00854	5.0
89.02461	6.1
95.01389	7.4
97.02989	2.4
98.20689	1.6
99.00890	17.3
101.02451	83.6
102.02790	2.3
107.05004	1.5
111.00902	1.2
113.02457	44.1
114.02757	1.6
125.02502	2.1
129.01971	2.3
129.02913	1.0
131.12216	1.0
135.04611	1.1
143.03493	3.0
152.30223	0.8
159.02983	9.9
161.04567	35.2
161.05902	1.8
162.04831	1.1
187.58842	1.0
205.03528	1.8
225.14925	1.3
269.10269	11.5
269.13876	3.5
269.21216	12.3
269.24811	4.9
270.10367	1.1
270.21494	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.0872
Annotation	globosumone B
Peak:m/z	Relative Intensity
56.95157	0.3
59.01379	0.9
68.93178	0.3
69.51176	2.1
78.95912	1.5
86.06659	0.2
87.00843	0.4
96.96973	4.4
107.01466	0.3
109.50791	0.3
122.03763	0.4
134.07402	1.7
142.42903	0.3
143.11491	0.3
145.02934	0.4
147.04486	0.4
147.08136	0.4
148.01672	2.5
148.05348	0.7
149.06177	0.4
155.92468	0.3
161.06084	0.8
162.06888	7.8
163.04030	3.1
163.07410	0.4
164.04816	11.2
165.05206	0.4
165.68105	0.3
173.02414	0.9
177.05605	0.4
179.03444	0.4
179.07043	0.5
191.03574	0.5
191.07141	5.0
192.04301	25.1
193.04700	1.8
205.05061	3.3
206.05855	7.6
207.06628	51.4
208.06996	3.1
212.67056	0.3
217.05121	0.5
219.06584	0.4
220.07486	0.4
221.04820	1.6
221.08186	8.9
222.08409	0.6
231.06512	0.3
232.03760	0.6
234.05380	1.0
238.04829	9.3
239.05150	0.5
249.07689	8.0
265.07159	1.3
267.08716	100.0
268.09067	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	267.0872
Annotation	Botryolide C
Peak:m/z	Relative Intensity
52.88087	0.7
55.04557	0.6
55.56315	0.7
57.60509	0.7
59.01365	2.1
67.25096	0.7
70.70015	0.9
70.70348	1.6
72.88434	0.7
73.69282	0.6
78.58781	0.8
82.00288	0.7
87.00883	1.0
87.88087	0.7
103.36286	0.7
134.03764	2.5
134.07407	1.1
143.07466	0.7
145.02884	0.7
148.01659	2.5
151.11182	0.8
153.31059	0.7
161.06049	1.4
162.06859	7.2
163.03967	2.3
164.04808	10.5
173.02417	0.9
179.03543	0.8
191.07167	5.1
192.04295	26.9
193.04663	1.3
199.82744	0.7
205.05016	3.2
206.05864	7.4
207.06630	52.5
208.07005	2.5
221.04526	1.6
221.08154	8.5
231.06639	0.9
234.05388	1.3
238.04790	8.7
249.07661	7.8
267.08710	100.0
268.09061	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	267.1236
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25591	0.8
55.88028	0.7
57.03438	3.8
57.97553	6.5
59.01378	100.0
60.97530	1.1
61.98825	1.7
63.96226	1.2
64.13225	0.8
69.36606	8.7
71.01406	1.7
71.05023	3.3
76.97015	2.3
79.95737	60.5
80.96520	13.5
83.04994	0.9
87.00887	5.0
95.95245	1.2
101.02451	2.5
108.96014	7.2
111.00841	1.0
121.02956	0.8
126.12918	4.3
140.93237	25.3
161.09708	1.1
161.13390	2.5
163.11282	1.6
167.94254	0.9
170.11903	1.4
172.13435	8.0
186.09621	1.9
195.98703	1.1
205.12456	1.0
207.10297	2.4
209.04536	1.0
210.99800	2.2
223.13387	46.5
224.13736	3.5
225.01401	4.1
236.09613	67.9
250.05759	2.0
267.12338	8.8
267.15939	2.7
268.06805	81.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1963
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03418	0.8
57.76684	0.7
59.01101	1.3
59.01376	16.8
59.29308	0.7
61.98813	1.9
69.03447	1.0
71.01385	2.8
71.71640	0.9
83.05049	0.8
87.00899	1.6
89.02412	0.9
99.08173	1.2
101.02454	1.6
113.09741	2.0
119.43174	0.7
121.02890	0.8
135.00969	0.7
138.83139	0.7
149.09760	3.5
167.10793	36.7
168.11087	1.8
168.90216	0.7
177.16588	1.0
205.19603	1.2
223.20869	0.8
248.17545	0.9
249.18599	24.9
250.18962	1.8
267.19632	100.0
268.19989	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	266.0669
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90979	0.3
59.01379	2.3
61.08265	0.3
61.98832	100.0
68.30912	0.3
70.02424	1.8
78.95907	0.9
87.00890	1.0
87.11307	0.5
92.67744	0.3
95.01401	0.3
130.91556	0.3
134.04787	1.3
138.46454	0.3
139.24660	0.3
147.67950	0.4
160.01772	0.5
177.02022	0.3
178.02330	0.7
193.08461	0.7
203.07173	0.8
208.03543	0.4
221.07936	1.8
222.08546	4.1
233.07843	0.5
251.08841	2.8
266.11154	4.4
266.18509	0.5
267.16202	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.0893
Annotation	Adenosine
Peak:m/z	Relative Intensity
59.01378	0.1
64.00365	0.1
65.01440	0.1
70.85238	0.1
70.85607	0.2
73.57005	0.1
85.75263	0.1
87.00887	0.1
92.02556	1.1
93.02879	0.1
107.03648	4.4
122.34919	0.1
129.19608	0.1
134.04744	100.0
135.04237	0.2
135.05199	2.0
151.02641	0.4
247.76967	0.1
266.08932	6.7
267.09189	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.0871
Annotation	globosumone B
Peak:m/z	Relative Intensity
57.03377	0.5
59.01301	3.8
59.01616	0.4
61.78680	0.3
69.77359	1.4
69.77781	1.1
71.01310	3.4
71.01734	0.7
72.99271	0.7
75.00797	1.4
79.88364	0.3
80.68314	0.4
83.01361	0.4
85.02955	3.4
87.00869	2.2
87.02177	0.3
89.02384	1.1
95.01322	0.5
97.92177	0.4
99.00822	0.8
108.02130	0.5
113.02460	4.4
120.05706	0.6
121.02892	1.6
121.03706	0.4
122.03711	0.4
123.08091	0.4
129.01918	0.3
134.07327	1.6
135.04446	0.4
137.06059	0.6
145.02872	0.3
146.03613	0.3
147.04591	0.4
147.08130	0.9
148.01680	3.0
148.05275	1.2
161.06096	1.0
162.06885	7.5
163.04010	3.3
163.07462	0.3
164.04814	11.8
165.05016	0.4
166.00052	0.3
173.02408	0.9
179.03397	0.7
179.07127	0.6
191.03534	0.6
191.05510	0.5
191.07152	5.5
192.04298	27.3
193.04668	1.1
205.05107	3.5
206.05846	9.2
207.06641	55.5
207.98434	0.4
208.06975	3.5
209.04640	0.6
219.06621	0.6
220.07413	0.6
221.04774	2.4
221.08185	8.4
222.08459	0.5
223.06079	0.4
234.05414	1.2
238.04828	11.2
249.07744	8.6
250.07930	0.8
265.07401	1.7
267.08823	100.0
268.09088	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	265.1808
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74792	0.8
57.03437	2.9
57.09565	1.0
59.01377	24.8
59.10565	0.8
59.40661	0.9
61.98815	1.5
65.03977	0.9
65.94443	1.0
68.99829	6.7
69.03455	1.9
71.01383	2.9
71.05025	12.9
71.17934	2.4
73.02942	1.4
80.02673	1.7
83.05043	2.7
85.02953	1.1
85.06599	1.6
95.05067	1.2
96.96002	3.9
97.06584	1.8
99.00896	7.4
106.04249	1.7
112.86089	1.0
121.10218	1.0
134.04736	1.5
149.13373	2.9
163.03989	3.0
163.14919	6.3
175.14893	1.3
177.12796	3.3
179.14459	6.2
181.12332	1.7
181.29555	0.9
189.12868	2.6
191.14398	8.1
193.12286	3.9
195.13930	5.1
196.14345	1.3
203.18066	8.4
207.13907	55.1
208.14247	4.2
219.13815	1.7
221.11835	1.3
221.19162	1.9
229.15808	1.2
235.13414	6.1
237.14824	1.0
247.17029	42.3
248.17322	4.7
265.14670	8.7
265.18051	100.0
266.15710	1.2
266.18448	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	265.1807
Annotation	Tetranor-12R-HETE
Peak:m/z	Relative Intensity
57.03447	5.0
59.01380	16.6
69.03458	1.2
71.01382	2.8
71.70026	0.7
83.05028	2.8
95.05029	3.8
96.96035	3.0
97.06599	17.6
99.08165	1.6
101.02402	0.9
109.06617	2.3
111.08175	6.7
113.03280	0.6
113.09747	12.8
121.10255	17.9
122.10593	0.8
125.06102	3.0
127.07655	9.4
137.06111	1.7
139.07683	1.4
139.11333	3.3
143.07156	45.7
144.07515	1.5
149.09752	5.5
149.13359	1.6
155.07170	19.2
156.07492	0.9
157.08737	6.1
163.04010	1.4
167.14450	0.9
169.08708	2.0
173.90126	0.7
175.14940	0.7
178.06467	0.8
203.18073	8.8
204.18259	0.9
221.19162	4.8
229.16006	0.9
247.17035	41.3
248.17412	3.8
258.82715	0.7
265.14920	4.1
265.18066	100.0
266.18417	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	265.2172
Annotation	(R)-hydroprene
Peak:m/z	Relative Intensity
53.91809	0.2
59.01376	1.2
61.98835	0.3
62.73646	0.2
63.59124	0.2
68.99823	0.4
73.04190	0.2
73.49822	0.2
93.00386	0.2
96.96022	6.7
97.36256	0.2
98.19859	0.4
106.31667	0.2
110.03759	0.4
204.01225	0.2
247.20644	0.4
265.15012	5.7
265.21710	100.0
266.15088	0.6
266.22052	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	265.1808
Annotation	Tetranor-12R-HETE
Peak:m/z	Relative Intensity
57.03445	1.0
58.62820	0.7
59.01379	26.4
61.98833	1.6
69.03459	0.9
71.01383	2.1
71.05022	6.4
71.59617	1.4
71.59968	0.8
78.95890	1.2
81.03482	0.9
83.05006	1.9
96.96010	2.2
97.06609	1.3
108.02171	1.7
121.62574	0.8
129.05638	0.8
135.11835	1.2
149.13391	3.2
163.04021	2.0
163.14917	4.3
175.14810	0.8
177.01903	0.8
178.06384	1.0
181.12393	1.1
189.12781	1.5
193.12300	0.9
193.15962	1.2
195.40215	0.9
203.18069	11.3
204.18398	1.3
207.13905	69.6
208.14270	6.3
221.15457	3.2
235.79982	0.8
247.17010	63.1
248.17346	6.7
265.07208	1.4
265.14819	5.3
265.18060	100.0
266.18399	10.5
288.11053	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1807
Annotation	Tetranor-12R-HETE
Peak:m/z	Relative Intensity
51.98077	1.6
56.25942	1.8
57.03453	3.1
59.01376	11.2
67.40979	1.7
70.28661	5.5
73.54350	2.0
74.13447	1.6
75.62126	1.8
85.06620	2.1
95.05028	3.8
97.06605	14.8
99.08158	2.7
113.09698	2.6
121.10253	60.1
122.10621	2.7
125.06094	4.8
143.07158	94.9
144.07500	3.8
149.13318	3.6
157.08702	5.4
167.10820	12.6
195.10258	3.7
203.18108	14.3
247.14426	3.6
247.17032	98.5
248.17351	11.4
265.18073	100.0
266.18335	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	265.1292
Annotation	Unknow
Peak:m/z	Relative Intensity
53.61029	1.7
55.01875	6.5
57.03448	6.9
58.00587	2.3
59.01378	70.9
61.98834	3.1
62.53494	1.2
65.65144	1.3
71.01383	100.0
71.25280	1.5
71.56570	3.3
72.01727	1.6
72.99315	6.7
73.02946	28.7
73.04082	5.5
75.00876	2.5
83.01389	14.1
85.02957	50.0
87.00891	6.9
89.02454	16.9
95.01400	5.5
97.02962	1.9
99.00899	14.3
101.02454	77.5
101.06081	5.4
102.02800	2.1
103.07684	3.0
111.00885	2.2
113.02454	41.6
119.03507	5.5
120.99644	2.7
125.02422	1.5
129.01927	2.4
131.03545	1.7
134.04761	10.0
143.03540	5.8
143.07162	6.8
144.69623	1.3
147.04533	2.2
159.03021	8.0
161.04585	47.2
161.06050	4.0
162.04961	2.0
163.03990	2.6
164.07199	4.2
168.88904	1.6
177.05882	5.3
178.06384	1.4
186.89876	4.2
187.57101	1.7
205.03479	2.4
205.05154	1.9
221.09348	4.0
265.07462	18.1
265.12885	36.5
266.07346	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	265.1445
Annotation	5-(1,4-Dihydroxy-2,2-dimethyl-6-methylenecyclohexyl)-3-methyl-2,4-pentadienoic acid
Peak:m/z	Relative Intensity
57.03447	35.9
59.01378	24.4
61.98837	2.0
69.64926	3.1
69.65326	10.4
71.01397	3.2
73.02937	1.9
79.71184	1.4
83.05036	19.5
83.20728	1.6
85.02924	1.9
95.01382	2.2
95.05027	4.3
96.96017	1.5
97.02973	2.3
97.06605	28.7
98.19917	3.2
106.12346	1.5
107.05058	1.6
109.02966	4.0
109.06590	5.1
111.04535	72.2
112.04900	1.9
119.08681	4.9
123.08176	2.1
125.06099	32.5
134.04750	2.1
134.70538	1.6
135.04572	2.9
135.08174	5.5
137.80780	1.6
138.06885	36.2
139.07643	6.6
145.10257	9.6
147.08159	2.1
149.06067	3.3
151.07675	6.5
151.11258	1.8
152.08333	1.6
153.09233	100.0
154.09578	6.1
161.04626	1.8
163.03987	4.5
163.11259	1.9
165.09232	21.3
166.09923	2.3
168.88892	2.3
169.91052	2.1
177.12880	4.6
179.10785	8.2
186.89978	4.3
193.74730	1.4
201.12872	2.3
203.14418	53.3
204.14790	4.6
206.13127	2.1
221.15460	35.5
222.15744	2.8
247.13380	2.6
251.41005	1.5
265.07260	2.3
265.14432	79.7
266.14743	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	265.0715
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00719	0.3
59.01379	2.5
64.42802	0.3
64.73531	0.3
66.61853	0.4
69.50576	0.7
69.50984	1.9
74.99103	0.5
76.24249	0.3
79.80740	0.3
80.09275	0.3
87.00874	0.4
101.02459	0.3
121.29206	0.3
122.03714	0.4
134.07390	3.7
142.13315	0.3
147.04552	0.4
149.02524	0.3
161.06136	2.6
162.03250	0.7
162.06880	17.8
163.07236	1.0
173.02429	2.7
177.05547	1.4
177.09415	0.6
178.06328	1.1
187.04097	0.6
191.03467	1.4
205.05075	0.5
206.05826	13.7
207.06192	0.7
217.17532	0.3
221.08186	100.0
222.08528	7.2
232.03700	0.6
238.04825	18.9
239.05196	1.3
248.03813	0.3
265.07150	23.7
266.07495	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.0751
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99586	0.5
59.01143	0.5
59.01386	4.7
70.11924	0.5
71.01373	0.8
71.59370	1.1
87.00883	4.4
99.08163	2.9
101.02428	0.9
102.98584	1.2
113.06095	0.9
116.92861	1.5
120.99676	11.7
121.77615	0.5
134.04778	1.2
136.04176	0.5
143.07155	52.9
144.07481	2.0
161.06094	0.8
162.01711	0.5
163.04089	0.5
165.86104	0.5
177.05922	45.6
178.06227	1.7
184.77568	0.5
186.89981	1.2
265.07483	100.0
266.07846	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	265.108
Annotation	Papyracon D
Peak:m/z	Relative Intensity
52.88224	0.4
53.65276	0.4
59.01378	6.0
61.98826	1.6
71.01375	0.6
71.72377	0.6
78.95902	4.9
80.96514	0.9
82.96111	3.3
82.96925	0.6
99.63795	0.4
109.02972	0.8
121.02991	1.0
123.00907	0.7
124.01640	0.8
134.04817	0.7
135.04539	0.7
137.02486	3.3
138.03218	1.2
148.58731	0.4
149.02483	5.0
150.03169	0.7
151.04062	0.7
152.01166	0.7
163.04015	2.4
165.01990	3.9
165.09204	0.7
166.02704	2.4
168.88972	0.7
175.07687	0.5
176.08348	0.5
177.01950	18.9
177.09119	0.5
178.02480	1.4
178.06284	0.8
179.03513	1.0
179.07161	0.6
186.89951	0.7
189.01895	1.0
191.07182	1.8
192.07938	16.3
193.08694	12.7
194.09048	0.5
197.15343	0.6
198.01553	0.9
203.07146	1.0
204.07916	3.2
205.05084	0.9
206.05833	1.4
206.09337	0.6
207.03006	5.2
207.10240	4.2
219.06660	6.4
220.07410	24.9
221.08186	100.0
222.08574	7.0
231.06454	0.7
232.07410	5.5
233.07854	0.7
247.09721	2.6
250.08458	60.3
251.08792	3.9
265.10797	81.5
265.14142	2.9
266.11179	6.2
266.14377	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.165
Annotation	12-Oxo-2,3-dinor-10,15-phytodienoic acid
Peak:m/z	Relative Intensity
59.01379	24.0
60.01710	0.3
61.87706	0.3
61.98835	0.3
69.67230	2.3
80.02686	0.5
83.32630	0.2
92.52000	0.3
95.05025	0.6
97.06614	0.6
106.04218	0.4
107.05057	0.5
119.04986	0.4
120.05843	0.3
123.08263	0.3
127.11600	0.3
135.08180	0.8
147.08179	0.7
148.08986	3.5
149.09694	1.2
151.11353	2.1
161.09688	0.4
163.11293	5.4
164.11655	0.7
165.12862	30.6
166.13193	1.5
189.12866	2.7
191.14424	11.3
192.14772	0.6
217.15965	0.5
219.14177	0.5
219.17546	11.6
220.17851	0.9
227.14439	0.6
238.30542	0.3
245.15457	4.2
246.15767	0.3
263.16501	100.0
264.16821	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	263.2015
Annotation	KDC 165
Peak:m/z	Relative Intensity
59.01379	2.7
59.04456	0.3
61.98830	0.5
71.01406	0.6
71.27883	0.6
78.42629	0.3
85.01417	0.3
181.27887	0.3
219.21289	0.5
245.19083	0.5
261.18582	0.6
263.20135	100.0
264.20480	10.4
264.23285	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.0715
Annotation	Diaportinol
Peak:m/z	Relative Intensity
53.34514	0.3
58.04696	0.3
59.01379	5.4
69.52036	0.5
69.52440	1.9
71.01391	2.1
71.01707	0.4
73.02942	0.7
79.52586	0.3
79.95064	0.3
80.96522	0.5
83.01403	0.4
85.02959	0.8
98.20625	0.7
99.00826	0.3
101.02438	2.2
101.06085	0.6
102.06497	0.4
110.53197	0.3
113.02504	0.8
116.98208	0.3
133.03017	0.4
134.03769	0.6
135.04524	0.8
147.04510	0.3
149.02415	0.4
161.02440	1.5
161.04558	1.0
161.06081	0.7
162.03244	38.7
163.00429	0.6
163.03601	2.4
174.03262	0.3
175.03999	2.2
176.04819	7.1
177.01984	0.6
177.05470	0.6
177.09283	0.5
186.90031	0.6
189.05589	7.1
190.02731	37.6
191.03296	3.6
191.05379	0.6
193.05093	0.9
196.00673	0.4
203.03510	4.9
204.04283	11.1
205.05061	74.2
206.02466	0.4
206.05399	3.9
207.06697	0.6
215.19380	0.4
218.05835	0.7
219.03053	3.8
219.06599	4.8
232.03790	1.2
233.04509	0.7
235.06094	1.4
236.03250	7.1
247.06122	3.7
248.06389	0.6
263.05692	1.5
265.07156	100.0
266.07483	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	263.1651
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	3.0
59.01377	6.7
67.75999	0.5
69.03443	0.9
69.55475	1.1
69.55879	3.4
83.05028	1.9
93.03506	0.5
93.07088	1.1
95.05032	6.8
97.06603	25.0
99.04524	0.5
99.08205	0.5
111.08158	0.4
113.09747	3.1
119.08707	0.5
121.09374	1.1
121.10249	18.1
122.10596	1.5
129.57996	0.5
135.08188	0.6
139.07660	2.2
141.05473	0.5
147.08180	6.1
148.08563	0.5
157.08728	9.4
158.09082	0.5
165.12863	3.3
169.08693	2.9
181.08679	2.0
183.10208	1.5
189.12883	0.6
201.16495	2.5
219.17496	3.6
245.15442	2.4
246.15704	0.6
263.16498	100.0
264.16855	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	262.072
Annotation	Dimethylthiambutene
Peak:m/z	Relative Intensity
59.01379	34.0
60.22359	0.9
67.07173	0.8
70.74506	2.5
71.01383	13.5
72.99251	0.8
73.98343	0.8
79.95762	0.8
101.02479	1.4
109.01708	0.8
115.00392	24.2
125.09679	1.0
130.06587	1.1
131.05067	6.4
136.54590	0.7
146.06139	100.0
147.04556	22.3
147.06371	5.1
148.04837	1.1
156.08214	6.2
172.07767	0.9
174.09248	6.1
175.03938	1.5
176.04755	2.6
176.08284	2.4
182.06078	1.0
188.10141	0.9
200.07188	10.0
204.04282	3.4
218.08226	55.5
219.03183	1.0
219.06616	6.6
219.08583	3.1
236.03217	2.8
244.06174	1.3
262.07190	79.2
262.11734	2.2
263.07556	6.7
263.12988	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	263.077
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
59.32808	0.4
60.01713	1.7
69.36629	3.1
69.37048	0.9
71.01390	1.1
71.14243	0.4
73.02953	0.9
79.29576	0.3
80.79874	0.3
95.82297	0.3
98.19913	0.6
101.02479	1.6
113.02464	0.7
144.36127	0.4
159.02986	0.4
201.12816	0.6
219.14005	0.5
263.09802	0.7
263.12964	1.5
263.16595	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0771
Annotation	Unknow
Peak:m/z	Relative Intensity
58.04500	0.3
59.01378	100.0
60.01721	1.1
61.37971	0.3
64.49897	0.3
67.39169	0.3
71.01396	0.3
71.43415	0.6
73.02977	0.5
73.79672	0.2
76.18447	0.3
82.45026	0.3
89.99290	0.3
101.02491	0.5
167.90332	0.3
207.06772	0.4
235.06303	0.7
263.16522	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1287
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
57.03447	3.3
59.01380	12.5
66.55840	1.0
69.39272	12.1
71.01391	5.8
71.05013	1.5
76.71380	0.9
79.05539	2.2
83.05038	3.5
85.02951	1.9
85.59914	0.9
95.05040	4.6
97.02955	11.8
97.06606	1.3
105.07101	3.9
107.05022	3.2
108.05830	6.9
109.02962	8.3
109.06617	4.9
111.00892	1.0
111.04537	16.3
111.08212	1.4
113.02381	0.9
113.06091	12.0
118.81626	0.9
119.08672	4.9
121.06610	4.2
122.03760	15.1
123.04581	1.8
123.08173	9.1
124.05256	1.5
125.02543	1.1
125.06097	19.6
126.06479	1.3
135.08168	3.3
136.05328	18.8
137.06116	8.2
137.09741	1.6
138.06882	19.6
139.07678	40.7
139.08755	2.2
140.08017	2.1
147.08125	1.6
148.05328	8.8
149.06068	4.4
151.07666	83.5
152.04852	6.8
152.08455	44.5
153.09244	13.4
159.11816	4.3
161.09718	9.0
163.07663	15.1
163.11327	1.2
164.08266	1.3
167.07176	5.1
171.08075	1.3
175.11324	1.7
180.62611	1.0
185.09683	2.3
186.10451	3.5
188.08461	2.8
189.09186	7.5
201.12857	34.1
202.13181	2.5
203.10802	25.4
204.11555	72.6
205.11853	3.9
219.13907	100.0
220.14261	9.2
263.09970	1.3
263.12894	15.1
277.03433	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.1493
Annotation	Cordiaquinol J
Peak:m/z	Relative Intensity
50.56961	3.1
51.02382	3.0
57.03442	6.2
59.01374	16.2
61.13921	3.2
61.98831	6.2
69.03442	22.1
71.01392	7.5
71.69668	5.7
73.09054	3.1
81.03465	7.8
85.02952	3.9
87.00893	3.9
87.02409	21.6
93.03473	14.8
95.01392	43.2
95.05026	12.6
97.02970	4.0
99.92553	3.7
105.03476	74.6
106.04296	5.1
107.05044	100.0
108.05342	4.8
112.98606	4.8
113.09737	9.0
115.92071	7.8
119.05009	8.7
121.06609	6.2
123.04504	3.9
125.09736	8.1
130.04271	6.2
131.05019	6.1
133.02940	3.7
133.06592	3.5
134.03674	3.9
135.04544	6.3
137.09767	5.6
143.05055	7.5
145.02885	5.5
145.06653	4.4
147.04550	17.9
147.11826	6.4
153.09235	10.4
155.10777	4.7
157.06706	3.7
158.39883	3.4
160.05299	4.0
161.06090	26.7
162.03203	4.3
162.06883	5.2
163.07642	8.1
167.10829	4.7
171.04445	4.4
172.05316	20.7
173.06001	4.9
174.93456	4.0
185.02353	3.6
185.06017	5.0
186.06836	5.4
189.12904	5.0
191.10774	11.5
199.14975	8.9
201.12927	6.1
205.05051	5.2
206.05846	3.7
211.13380	38.9
214.92955	7.2
215.14359	9.2
217.05023	4.5
217.12297	5.4
219.13995	5.1
243.13893	66.7
244.14267	5.0
261.03931	4.5
261.07675	4.9
261.08389	5.6
261.11353	47.8
261.14938	99.0
261.22153	15.9
262.11603	7.0
262.15201	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	261.113
Annotation	Farinosin
Peak:m/z	Relative Intensity
57.93989	0.5
59.01369	1.8
59.51066	0.5
61.98828	0.7
69.46473	5.3
70.40433	0.5
71.01378	0.9
87.00889	0.7
105.07092	0.7
107.01411	0.7
107.05053	0.8
108.02205	1.5
115.92103	1.4
116.92857	1.1
120.05852	1.2
122.03746	0.6
125.09757	0.7
145.02960	4.0
146.03714	0.8
148.01691	7.0
148.05351	0.8
149.02458	2.2
149.06078	2.1
162.06825	1.3
163.03969	0.7
164.04807	48.8
165.05164	2.8
174.93546	0.6
187.07475	0.6
192.04297	100.0
193.04991	20.9
194.05156	0.6
196.03780	1.8
197.90254	1.2
211.13329	1.1
211.57043	0.6
214.92859	0.8
217.05101	0.7
217.08788	1.2
217.12323	4.2
238.04707	1.0
261.11301	71.5
261.22266	2.3
262.11694	6.4
283.65826	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.113
Annotation	Parthenin
Peak:m/z	Relative Intensity
55.23017	0.2
59.01369	0.6
60.24625	0.2
61.98829	0.3
65.00303	0.3
71.12477	0.2
71.16829	0.6
81.75720	0.2
93.19280	0.3
99.92567	0.4
105.03522	0.2
105.07099	0.4
107.05041	0.8
109.06612	2.0
110.07816	0.3
114.05629	0.6
115.92115	0.3
117.03455	0.6
121.03010	0.2
134.07379	1.3
145.02971	0.6
147.04524	2.1
148.01651	1.0
149.02425	1.0
149.06065	0.5
157.02992	0.3
159.04514	0.9
161.02449	0.5
161.06116	2.1
162.03230	0.5
162.06885	7.0
163.07248	0.3
172.05283	0.8
173.02458	8.8
173.06085	11.2
173.09624	0.3
173.13342	0.7
174.02960	0.6
174.06429	0.9
174.93355	0.2
175.04007	1.7
185.02457	0.4
187.04025	4.2
189.05568	0.6
189.09331	0.4
189.12877	0.3
191.03519	0.5
197.90266	0.3
199.04016	0.9
201.09221	0.3
202.09990	0.4
205.05055	0.6
206.05864	4.3
211.13454	0.6
217.05104	3.9
217.08716	5.4
217.12302	6.4
218.09123	0.3
218.11926	1.6
225.09177	0.6
238.04813	8.9
239.05093	0.4
243.10304	0.6
246.08984	0.4
246.29442	0.2
261.07758	14.9
261.11295	100.0
262.08102	1.0
262.11633	9.0
262.13971	0.2
271.74783	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.113
Annotation	Unknow
Peak:m/z	Relative Intensity
59.33425	0.4
71.13219	0.6
106.20229	0.4
142.53539	0.5
146.03780	0.6
147.04526	2.6
158.03740	0.5
159.04533	10.3
160.04948	0.5
161.06108	1.3
162.06851	1.4
173.02443	1.2
173.06091	2.7
174.06831	1.9
175.07578	0.6
175.11354	0.7
179.71838	0.4
188.04721	0.6
191.03413	2.2
201.09230	1.6
206.05821	4.7
215.10786	0.5
217.12337	20.3
218.12703	1.5
235.16927	0.5
238.04831	7.9
239.05054	0.5
243.10240	2.0
261.11301	100.0
262.11676	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	261.113
Annotation	Unknow
Peak:m/z	Relative Intensity
65.78992	0.2
71.18913	0.4
84.50504	0.2
87.43558	0.2
105.07119	0.6
107.05062	1.0
109.06613	2.3
120.47044	0.2
131.08684	0.3
134.07388	1.4
149.06082	0.8
158.07240	0.2
159.04494	0.2
161.02431	0.4
161.06110	2.2
162.03261	0.3
162.06888	7.1
163.07208	0.4
173.02409	1.2
173.06041	0.4
173.09656	0.4
173.13362	0.5
174.03088	0.2
183.08228	0.3
185.02452	0.4
189.09270	0.5
189.12918	0.2
191.03506	0.5
192.03972	0.2
199.11293	0.5
205.04984	0.3
206.05843	3.9
207.06230	0.3
213.05589	0.3
215.10800	0.3
217.05106	2.6
217.08780	1.9
217.12326	5.9
218.12589	0.5
225.09251	0.6
238.04828	7.5
239.05019	0.5
243.10251	0.8
246.08940	0.4
261.11292	100.0
262.11639	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	259.0974
Annotation	Tristin
Peak:m/z	Relative Intensity
53.08014	0.4
59.01377	5.3
61.98824	1.5
67.67214	0.5
69.50395	3.1
77.27100	0.4
81.03477	0.9
83.66793	0.5
99.92598	2.2
115.92089	0.6
116.92864	1.6
133.06613	0.5
149.02501	0.6
175.04007	4.0
176.04802	14.5
177.05165	0.7
203.03589	2.8
204.04282	17.9
205.04590	1.0
215.03502	9.6
215.10826	1.0
216.03909	0.7
223.83974	0.8
235.84109	0.5
236.03265	17.7
237.03625	0.9
238.24237	0.5
243.06741	0.6
259.09738	100.0
260.10083	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	259.1185
Annotation	TRIPROPIONIN
Peak:m/z	Relative Intensity
51.50655	0.7
55.32256	0.9
59.01375	61.7
69.70765	3.4
69.71198	2.0
71.01365	1.7
71.05013	2.5
73.02948	41.1
78.95908	1.8
81.03455	0.9
83.05030	2.9
95.05048	1.2
96.96964	2.2
97.06599	6.9
99.04563	1.1
101.06097	1.4
107.05054	3.2
110.03776	0.8
111.04585	1.0
111.08172	0.9
113.06104	1.3
115.04039	5.1
123.08172	6.2
125.05244	1.3
125.06109	17.5
126.06359	1.1
128.07155	1.2
137.09773	3.6
141.03816	1.3
141.09233	4.0
149.16158	0.9
150.57217	0.7
167.07141	8.3
168.07471	0.8
179.10799	2.1
181.08681	2.0
185.08200	97.5
186.08551	5.8
197.11853	10.2
199.09763	7.8
215.12930	3.8
241.10818	4.5
242.11314	0.9
259.11847	100.0
260.12207	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	259.1185
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50655	0.7
55.32256	0.9
59.01375	61.7
69.70765	3.4
69.71198	2.0
71.01365	1.7
71.05013	2.5
73.02948	41.1
78.95908	1.8
81.03455	0.9
83.05030	2.9
95.05048	1.2
96.96964	2.2
97.06599	6.9
99.04563	1.1
101.06097	1.4
107.05054	3.2
110.03776	0.8
111.04585	1.0
111.08172	0.9
113.06104	1.3
115.04039	5.1
123.08172	6.2
125.05244	1.3
125.06109	17.5
126.06359	1.1
128.07155	1.2
137.09773	3.6
141.03816	1.3
141.09233	4.0
149.16158	0.9
150.57217	0.7
167.07141	8.3
168.07471	0.8
179.10799	2.1
181.08681	2.0
185.08200	97.5
186.08551	5.8
197.11853	10.2
199.09763	7.8
215.12930	3.8
241.10818	4.5
242.11314	0.9
259.11847	100.0
260.12207	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	259.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03424	0.5
58.51426	0.4
59.01373	1.0
63.45156	0.4
66.63123	0.4
67.93377	0.4
69.03466	0.5
70.98341	0.9
71.05025	0.4
78.95901	1.1
80.02685	1.7
81.03461	1.3
83.05028	6.4
84.02182	3.5
95.05033	0.6
96.96968	1.0
97.06593	0.7
99.92592	1.0
101.06045	0.4
101.47385	0.4
125.06116	0.6
127.02259	0.6
127.11395	0.5
129.01855	2.6
135.08194	0.9
163.11302	5.0
164.11739	0.5
165.12886	2.9
177.90327	1.2
181.12332	0.7
181.42407	0.4
191.10820	1.4
209.11829	100.0
210.12175	6.3
221.84087	0.5
227.12883	13.8
228.13158	1.0
245.15887	0.4
259.15564	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.0073
Annotation	Tichocarpol A
Peak:m/z	Relative Intensity
53.45474	1.3
59.01369	7.0
70.87189	1.6
71.01382	2.4
71.59377	1.7
72.99308	12.8
74.02470	1.8
75.00881	3.1
78.95906	4.0
79.95744	5.3
80.96506	2.8
83.01361	1.5
83.05032	2.6
85.02978	1.4
87.00907	1.8
93.03468	18.0
93.31350	1.4
96.96026	3.0
96.96973	1.7
97.06533	1.6
101.02454	1.5
103.92058	5.0
107.05050	1.7
109.02876	1.4
119.05038	39.9
121.02996	1.9
123.65188	1.2
129.01924	1.3
135.04549	25.8
147.04555	2.2
154.12405	1.4
163.04041	31.7
173.82329	1.5
181.05083	74.5
182.05431	3.2
199.00665	11.5
199.94144	2.7
212.01624	1.3
215.00172	6.0
242.89673	2.1
261.00726	100.0
261.08420	2.2
261.11282	13.8
261.13474	4.1
261.22192	4.4
262.01031	6.1
277.48758	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	261.0767
Annotation	Funadonin
Peak:m/z	Relative Intensity
59.01374	1.1
61.98846	1.0
64.52739	0.3
65.00321	0.6
65.15330	0.3
69.31044	0.3
70.94820	0.4
71.68077	0.5
100.91786	0.4
105.03490	0.4
105.07072	0.6
107.05106	1.0
109.06631	2.2
114.05601	0.9
115.92087	0.9
117.03487	1.3
117.07178	0.5
121.02956	0.5
125.09727	0.6
129.03429	0.3
134.07390	1.1
143.05118	0.7
145.02972	1.5
147.04520	4.5
148.01668	1.5
149.02470	2.2
149.06068	0.9
157.02956	0.6
159.04506	1.3
161.02499	0.6
161.06090	1.7
162.03296	0.4
162.06891	7.2
163.04076	0.7
163.07472	0.6
172.05295	2.0
173.02472	18.1
173.06084	24.0
174.02789	0.7
174.06441	1.7
175.04057	4.8
187.04010	9.3
187.09746	0.5
188.04411	0.6
189.05644	2.0
191.03581	0.5
197.67249	0.4
197.90288	1.1
199.04051	3.0
199.07713	0.4
205.05064	1.2
206.05855	5.5
206.97571	0.4
211.13382	1.6
214.92905	0.7
217.01698	0.5
217.05103	6.2
217.08698	8.9
217.12305	6.4
218.05479	0.9
218.09056	0.5
218.09982	0.5
218.11870	3.2
225.09244	0.8
238.04822	8.0
238.57759	0.4
239.05212	0.5
243.06378	0.5
243.10167	0.5
261.07684	36.2
261.11273	100.0
261.22165	1.6
262.08035	3.9
262.11609	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	255.1965
Annotation	SCHEMBL16293729
Peak:m/z	Relative Intensity
54.14206	0.4
55.01883	0.6
57.03451	1.8
59.01384	0.7
69.53193	0.7
69.53603	2.7
71.01387	1.7
71.05023	6.2
75.00887	0.7
78.48382	0.4
78.52411	0.3
83.05026	1.2
99.00891	0.9
137.42015	0.4
137.70757	0.4
155.14436	0.5
179.11069	0.4
181.15984	1.4
183.17549	22.2
184.00211	0.6
184.17885	2.0
207.17719	0.6
209.19115	8.4
210.19489	0.8
211.20671	22.1
212.21075	1.9
237.18629	3.6
255.08893	0.8
255.19679	61.4
255.23296	100.0
256.19980	6.5
256.23642	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	257.0679
Annotation	Posoquenin
Peak:m/z	Relative Intensity
51.49653	0.3
54.51615	0.2
55.27216	0.3
59.01382	0.9
66.56734	0.3
69.19005	0.3
70.83904	0.8
75.00841	0.2
75.94473	0.3
84.87578	0.3
104.61053	0.3
168.05629	0.7
186.06728	0.7
186.52547	0.3
214.06212	36.3
215.06532	2.3
256.23627	2.6
257.06781	100.0
257.23862	1.6
257.33069	0.3
258.07080	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	259.0224
Annotation	D-Allose 6-phosphate
Peak:m/z	Relative Intensity
52.96632	1.9
57.03441	7.2
59.01383	9.5
60.92178	2.1
61.98833	6.6
70.33641	8.6
71.01382	22.9
72.00906	3.6
72.99305	6.5
73.02964	3.0
75.00909	2.8
78.91895	3.4
78.95909	87.5
80.48917	2.1
82.99550	1.9
83.01401	7.4
85.02959	9.8
86.82963	1.9
87.00887	7.2
88.98812	6.6
96.23788	1.9
96.96972	100.0
98.02481	2.3
99.00890	20.8
101.02466	3.4
102.05622	6.6
111.00900	22.4
112.04026	1.9
112.98835	43.3
113.99107	2.0
114.35711	1.9
115.00377	6.1
115.60356	2.0
119.08926	2.4
128.03575	12.4
129.01959	15.8
129.10353	6.1
130.08749	31.5
133.63515	1.9
135.04494	2.9
136.63791	1.9
138.98001	7.2
142.99812	2.6
144.03008	8.7
145.01428	2.7
145.06229	3.3
147.03067	3.8
150.05612	2.2
167.08218	2.2
171.15129	4.9
173.00980	12.6
191.01945	3.9
197.13042	2.9
199.00233	2.3
205.03551	3.1
215.13954	9.6
241.01140	3.5
241.08191	4.9
241.11865	9.2
259.02243	26.5
259.09229	7.6
259.12903	26.3
259.18597	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	252.0733
Annotation	Neopterin
Peak:m/z	Relative Intensity
51.48760	0.2
53.54586	0.2
54.78857	0.3
59.01106	0.4
59.01378	4.4
61.98832	0.5
70.99722	0.5
71.00046	0.3
79.80508	0.3
79.95740	100.0
80.95694	0.6
80.96538	0.7
98.20576	0.3
105.94218	0.3
126.12871	0.8
136.23119	0.2
160.11629	0.7
188.11150	9.2
189.11453	0.5
193.07152	0.5
240.68683	0.3
252.07320	50.2
253.07529	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	253.0925
Annotation	3-beta-D-Galactosyl-sn-glycerol
Peak:m/z	Relative Intensity
55.01878	1.3
57.03466	0.9
58.00591	2.3
59.01379	100.0
60.01715	1.6
61.98850	1.2
69.03435	0.8
71.01384	36.4
72.99318	2.4
73.02962	4.3
83.01395	4.0
83.29012	0.7
85.02953	7.5
87.00872	3.7
89.02451	31.7
95.01408	3.2
97.02924	1.5
98.20702	1.1
99.00901	1.4
101.02454	34.4
103.06541	0.8
113.02461	15.5
113.03183	1.3
119.03513	7.4
125.02421	0.9
125.04107	1.0
128.88849	0.7
129.01997	0.8
131.03548	1.9
138.19479	0.7
143.03517	3.4
161.04584	17.3
179.05618	5.1
193.07219	6.9
229.38641	0.9
253.09274	58.6
253.21716	3.1
254.09573	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.108
Annotation	Striatisporin A
Peak:m/z	Relative Intensity
55.01876	0.7
57.03446	8.8
59.01375	13.2
60.99296	2.1
61.98806	0.9
64.85696	0.5
65.03964	1.0
68.27258	0.6
69.95264	2.7
70.92153	0.5
71.01382	2.3
71.05013	1.3
73.02963	0.8
76.96413	0.5
78.54513	0.5
80.02648	0.6
81.03469	2.1
81.10856	0.6
83.05020	4.3
85.02950	5.4
93.03458	5.3
95.05022	2.6
97.02978	1.4
97.06588	2.8
98.20571	0.8
99.04517	0.9
106.95789	0.6
107.05036	3.5
108.02183	1.3
109.02945	1.7
109.06609	9.5
110.03732	0.8
111.04546	0.8
113.02473	1.6
115.00402	0.8
115.07594	0.6
121.06615	8.6
122.03756	4.0
123.04499	0.8
123.08169	2.1
124.05334	1.1
127.07598	0.5
133.06598	9.0
134.06935	0.6
135.04521	1.2
136.05322	1.4
137.02467	11.9
137.06097	3.9
139.07666	2.0
145.06604	2.1
147.08173	12.7
148.08485	0.9
149.06099	1.4
149.09741	13.7
150.10051	0.9
151.07645	1.2
153.05605	1.0
157.06566	6.8
158.07333	0.8
161.04614	0.9
161.06018	1.1
165.05573	1.0
165.09221	5.6
167.10738	0.9
171.08183	1.6
173.09715	36.6
174.10080	3.4
175.07623	3.9
176.08333	1.6
189.09227	1.5
191.09032	1.0
191.10786	18.5
192.11154	1.2
193.07181	2.0
194.09590	0.6
206.06358	0.5
209.11848	2.1
253.10796	100.0
254.11118	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	253.2173
Annotation	Delta2-cis-Hexadecenoic Acid
Peak:m/z	Relative Intensity
59.01373	20.1
71.30959	10.3
72.95685	4.6
91.75462	3.8
155.98244	3.9
193.07434	3.8
246.93707	4.2
253.21703	100.0
254.22064	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	253.2173
Annotation	Delta2-cis-Hexadecenoic Acid
Peak:m/z	Relative Intensity
59.01376	11.9
60.90521	0.4
61.98826	2.1
64.10452	0.4
64.50681	0.3
65.00317	0.6
65.19069	0.4
69.10626	0.4
71.28604	0.5
71.28959	0.9
98.20230	0.6
101.15979	0.4
121.02954	0.4
137.23090	0.4
170.60938	0.4
193.07179	2.1
253.21709	100.0
254.22044	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	254.0152
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
70.72874	0.8
70.73244	0.6
75.00898	0.3
90.41717	0.3
93.64182	0.3
107.71304	0.3
111.07664	0.3
142.99886	0.5
149.80801	0.3
151.57526	0.5
151.98048	0.3
197.99971	0.3
234.11949	0.3
255.23244	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	254.0153
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	100.0
69.68294	0.3
71.16415	0.7
71.71035	0.3
92.68711	0.3
126.03255	0.3
132.32030	0.3
142.99875	0.7
214.06242	0.3
238.78775	0.3
271.94553	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.0594
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	0.8
61.98825	1.1
71.23254	1.5
71.23598	0.6
73.04078	2.5
85.06596	2.5
87.00887	11.7
102.98600	1.5
120.99673	38.1
129.05585	13.5
140.67775	0.7
145.03325	1.0
163.04362	69.2
164.04665	3.3
181.08281	0.6
221.09274	1.9
221.98969	0.6
251.05934	100.0
251.10251	2.5
252.06255	7.2
274.95609	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1135
Annotation	Unknow
Peak:m/z	Relative Intensity
53.61411	0.8
55.01878	6.8
57.03447	7.8
58.00589	3.6
59.01377	63.1
60.01710	0.8
61.98829	52.0
62.12521	0.8
67.74995	0.8
69.64651	6.6
71.01384	100.0
72.01713	2.4
72.99310	7.0
73.02950	34.9
73.04065	1.1
75.00873	3.6
78.91900	6.1
78.95915	3.6
81.03481	1.9
83.01393	15.7
84.02184	1.0
84.73996	0.9
85.02956	44.6
85.06609	0.8
86.03304	1.1
86.99117	2.2
87.00872	11.3
87.04520	3.5
89.02451	19.6
89.06105	1.4
93.03468	0.8
95.01400	6.5
96.96027	2.2
96.96944	1.5
97.02953	2.9
99.00888	15.7
99.04462	0.9
101.02455	80.5
102.02786	2.4
111.00896	3.2
113.02465	38.2
114.02802	1.0
115.00390	2.6
115.04034	1.8
116.07197	1.5
119.03522	4.7
119.05206	0.8
120.99675	19.3
125.02475	3.3
129.01965	3.4
129.05603	5.9
131.03551	1.4
133.02922	0.8
143.03525	5.2
145.01393	1.4
145.03375	0.8
147.04543	2.1
159.03015	13.2
161.04584	52.9
162.04916	1.7
163.04364	31.5
164.07167	5.1
167.03511	7.0
179.05605	1.3
191.05634	1.4
205.03540	2.5
205.66078	0.8
221.09355	1.3
233.09457	0.9
239.68201	0.8
250.80159	2.1
251.05927	42.0
251.11365	35.4
251.14522	1.6
251.20079	0.9
252.06316	4.0
252.11694	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	251.2012
Annotation	Hugonianene B
Peak:m/z	Relative Intensity
50.02620	0.3
50.87712	0.3
51.39032	0.3
57.03433	0.5
59.01379	6.9
61.98839	2.5
63.93577	0.3
65.00336	0.3
71.01382	0.9
71.27790	0.7
73.11870	0.3
83.05045	0.3
85.02955	0.7
87.00876	0.4
89.02473	0.3
101.02454	0.7
111.00934	0.3
119.55315	0.4
129.01941	1.1
133.93446	0.3
159.02992	0.4
161.04657	0.3
179.14241	0.3
191.05627	0.7
223.13527	0.4
233.19104	1.8
251.20154	100.0
252.20502	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	251.2016
Annotation	Hugonianene B
Peak:m/z	Relative Intensity
59.01370	1.9
71.08831	0.5
71.09176	1.0
74.26174	0.5
143.17497	0.4
233.19154	0.6
251.20151	100.0
252.20483	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	249.1859
Annotation	Unknow
Peak:m/z	Relative Intensity
56.78326	0.4
59.01380	5.4
61.98824	1.2
69.55375	3.1
73.02905	0.3
74.01234	0.3
78.74514	0.4
81.92974	0.3
83.05023	1.0
87.00910	0.3
101.02481	0.3
133.03116	0.4
161.02490	0.6
175.21161	0.4
177.16417	0.4
184.00218	0.6
184.50317	1.8
184.99997	1.2
191.05656	4.0
192.05832	0.5
205.16084	0.6
205.19577	1.2
231.17445	1.0
233.10284	2.0
247.17067	0.6
248.58127	2.6
248.97269	0.6
249.08020	1.6
249.13133	3.9
249.18584	100.0
250.14589	4.8
250.18886	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	249.1859
Annotation	roughanic acid
Peak:m/z	Relative Intensity
52.65048	0.3
55.70494	0.3
59.01376	5.9
61.98836	1.5
64.89831	0.3
65.38951	0.3
69.70838	1.6
69.71259	0.7
70.74974	0.3
71.01389	0.6
75.00899	0.3
79.95734	0.5
83.05028	0.5
87.00876	0.3
98.19959	0.5
104.90042	0.3
148.17302	0.3
177.01900	0.8
179.14456	0.7
184.00226	0.7
184.50340	1.3
185.00075	0.7
205.01462	0.4
205.15979	1.1
205.19640	1.5
231.17543	1.2
232.13196	0.3
234.08992	0.4
247.17061	0.6
248.58177	1.2
248.97302	0.5
249.08147	1.6
249.18587	100.0
250.11801	0.5
250.14555	5.4
250.18910	11.1
264.31570	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1858
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	5.1
61.98840	1.2
69.68061	1.4
71.01377	0.6
79.95739	0.4
83.05019	0.6
87.00828	0.2
91.13194	0.2
97.06590	0.2
98.19866	0.2
107.33851	0.2
161.02534	0.2
177.01942	0.3
177.16508	0.4
177.96725	0.4
179.03452	0.3
184.00232	0.4
185.00024	0.2
205.15997	0.6
205.19595	1.7
219.06494	0.2
229.15887	0.2
231.17531	1.2
232.13385	0.2
233.08235	0.5
234.08955	3.0
247.17023	0.5
248.58104	0.6
248.97307	0.5
249.11333	4.5
249.18579	100.0
250.11565	0.6
250.14491	3.5
250.18913	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	249.1857
Annotation	roughanic acid
Peak:m/z	Relative Intensity
52.17982	0.2
55.42830	0.2
55.89450	0.2
59.01114	0.2
59.01378	3.9
69.36913	0.3
69.37318	1.8
71.01369	0.4
73.17136	0.2
82.59985	0.2
83.05019	0.5
83.97327	0.2
89.47816	0.2
93.48730	0.2
141.54364	0.2
177.01964	0.3
177.16530	0.4
177.26877	0.2
205.01253	0.2
205.19612	1.5
231.17471	1.3
247.16977	0.4
249.18571	100.0
250.14496	1.3
250.18912	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	249.1859
Annotation	roughanic acid
Peak:m/z	Relative Intensity
50.01493	0.4
59.01367	1.3
61.85635	0.4
69.29186	0.4
71.04473	0.9
71.06915	0.3
83.05017	0.4
91.69580	0.4
97.92036	0.4
102.04254	0.4
114.96468	0.4
149.89664	0.4
177.10590	0.4
205.19615	1.2
210.49269	0.3
231.17567	0.6
249.18585	100.0
250.18924	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	249.1132
Annotation	Methylripariochromene A
Peak:m/z	Relative Intensity
53.19576	0.8
57.57148	0.7
59.01375	7.4
61.98839	5.9
65.61678	1.0
67.36604	0.7
70.20951	3.5
71.01392	0.7
73.02925	1.2
79.95751	1.7
87.00877	1.0
98.19944	0.8
104.76685	0.9
108.02180	0.8
119.01324	0.8
119.08664	2.1
126.22311	0.8
157.86345	1.2
160.05324	2.2
175.07631	4.4
177.01967	1.5
177.05629	0.8
177.85907	1.0
179.03488	6.6
184.00253	0.9
184.50336	1.1
191.01917	1.0
191.03528	2.8
191.07079	1.2
193.05081	2.5
193.08714	3.2
205.01465	1.0
205.15965	5.7
217.08675	1.4
219.06609	5.0
232.13277	1.0
233.08176	17.6
234.08965	74.3
235.09319	6.0
248.58122	2.2
248.97305	1.3
249.11310	100.0
249.15094	12.6
249.18579	24.5
250.11646	10.2
250.14508	15.4
250.18956	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	249.1495
Annotation	Hebelophyllene A
Peak:m/z	Relative Intensity
51.23988	0.4
53.28768	0.4
56.00803	0.4
57.03449	0.9
59.01376	3.5
60.99044	0.4
61.98827	2.3
71.71181	0.7
75.00844	0.4
83.05024	2.2
97.06599	2.2
121.02970	1.3
123.00991	0.4
131.08652	0.4
135.04549	0.4
137.09756	1.9
147.04535	0.9
149.02458	0.9
149.09741	0.7
157.86313	1.3
161.02458	1.3
161.06107	1.3
166.87784	0.4
171.11714	0.5
177.01901	2.0
177.84517	0.4
177.86040	0.4
182.18828	0.4
187.14934	10.9
188.15279	1.4
191.03522	0.9
203.85649	0.5
205.05058	1.4
205.08725	0.6
205.12367	0.7
205.16013	1.2
206.05415	1.8
207.96735	0.4
218.29369	0.4
221.04533	0.6
234.05359	0.5
234.08952	0.8
248.97321	0.9
249.00339	0.8
249.07990	2.5
249.14951	100.0
250.15053	14.1
250.18338	0.6
250.18922	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.0431
Annotation	Glycerophosphoglycerol
Peak:m/z	Relative Intensity
54.83974	0.7
57.03441	2.0
59.01380	12.6
61.98830	18.6
63.01184	0.7
63.99249	1.1
68.99773	1.0
71.01387	21.5
72.99307	5.7
73.02950	2.7
75.00886	0.8
78.95911	100.0
83.01396	2.9
85.02953	2.3
87.00891	5.9
88.04051	1.5
89.02467	5.6
89.54002	0.7
94.92543	1.8
96.96970	11.9
99.00900	7.4
101.02455	15.5
103.00335	1.0
103.92091	0.9
111.00904	7.2
112.98826	15.1
113.02477	1.6
115.00393	10.8
116.07184	2.4
119.03526	15.7
120.99382	0.7
128.03531	2.0
129.01976	4.1
129.10358	3.5
130.08774	1.0
141.89662	0.7
145.01454	23.6
145.06197	3.4
146.01790	1.1
146.92567	0.9
149.04539	0.8
150.98090	1.6
152.95937	2.1
152.99603	78.8
153.70337	0.8
153.99951	1.5
170.97005	2.6
171.00653	36.6
173.00938	5.5
189.00436	2.0
191.01901	0.9
209.06683	7.7
226.97752	4.1
227.10469	1.3
244.98898	2.8
245.04317	98.3
245.11290	5.4
246.04640	4.8
260.94553	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1131
Annotation	Methylripariochromene A
Peak:m/z	Relative Intensity
59.01400	0.7
61.98837	0.6
71.10582	0.7
89.96404	0.2
106.16914	0.2
121.02984	1.2
123.00912	0.3
123.04521	0.5
133.02945	0.3
137.02481	0.5
137.06139	0.5
149.02510	0.8
149.06126	0.7
151.04057	0.8
161.02461	0.3
161.06104	0.8
161.09769	0.7
163.04129	0.3
165.01965	0.4
171.08220	0.7
171.53026	0.2
173.05978	0.5
174.06880	0.3
175.07668	0.7
176.08464	0.7
177.09198	0.2
179.03510	2.5
179.07188	0.9
180.04175	0.3
187.07686	0.4
188.08473	0.3
189.09233	2.9
190.09973	1.0
191.03499	2.4
191.07187	0.6
191.10730	0.5
192.07941	0.5
193.05074	3.2
194.05713	0.5
205.08725	0.5
205.12329	1.7
215.07120	1.4
216.07930	1.4
217.08658	2.5
219.06627	5.3
220.07024	0.5
221.11987	0.6
222.09038	0.8
231.10205	0.6
233.08180	16.6
234.08957	67.4
235.09297	6.2
249.11299	100.0
250.11676	10.9
250.14424	1.5
266.08112	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1131
Annotation	Pterosin Q
Peak:m/z	Relative Intensity
59.01388	4.3
61.98826	1.6
69.50934	4.3
73.02961	0.7
77.41033	0.5
87.00876	0.8
93.03436	0.6
93.07280	0.5
98.20715	1.1
113.81561	0.6
121.02940	1.9
123.04506	0.9
137.02463	1.0
147.04486	0.8
149.02510	2.7
161.02513	0.8
161.05983	1.2
161.09694	0.6
171.07982	0.8
175.07660	0.9
177.01927	6.2
178.02397	0.8
179.03456	2.4
187.07634	0.8
189.09123	2.7
191.03508	1.6
191.10661	0.8
193.05070	3.8
205.01389	1.1
205.08681	1.5
205.12314	1.1
205.15918	0.8
215.07121	1.2
216.07829	1.4
217.08638	2.6
219.06602	4.8
220.06993	0.9
222.09122	0.7
231.10124	0.7
232.13644	0.8
233.08186	16.5
233.49986	0.6
234.08960	60.4
235.09315	5.9
249.11299	100.0
249.18375	3.9
250.11644	9.2
250.14484	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	249.1133
Annotation	Norsecoglutinosone
Peak:m/z	Relative Intensity
50.78499	0.5
51.96123	0.5
57.54342	0.6
59.01378	4.7
61.98831	3.5
67.01881	5.0
71.72189	0.9
73.02966	1.1
74.03764	0.6
75.00893	0.8
80.96526	2.4
84.50982	0.6
105.07113	8.1
107.05028	1.7
115.61874	0.6
121.02966	1.0
122.75183	0.6
127.17551	0.5
131.05054	7.6
135.04474	0.8
145.06654	0.9
147.08163	6.9
148.53398	0.6
149.02545	0.9
149.06105	33.1
150.06474	1.3
157.86339	1.1
171.08177	1.9
173.06061	3.7
175.04010	10.6
176.04428	0.7
177.01935	2.3
177.05559	3.0
177.96704	0.7
181.12489	0.7
189.09210	2.5
189.93092	0.6
191.07146	90.5
192.07501	7.8
205.01355	1.2
215.07149	1.1
223.13107	2.7
231.10289	5.9
232.13411	0.7
233.07991	0.6
235.09442	1.0
237.11113	1.4
249.11299	100.0
249.14850	3.1
249.18425	6.4
250.11641	12.1
250.14505	10.1
250.18661	0.8
267.12131	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	243.1963
Annotation	13-Hydroxymyristic acid
Peak:m/z	Relative Intensity
55.00741	0.4
56.16608	0.4
59.01379	100.0
60.01710	2.2
60.13317	0.4
61.98831	20.0
67.01892	1.1
68.68117	0.4
86.04379	0.4
86.15666	0.5
99.92596	22.2
110.01429	0.4
111.00893	2.0
115.92114	1.6
116.92891	0.7
116.93751	0.4
154.99841	0.7
169.14209	0.4
173.92632	2.2
197.19077	0.8
197.90765	0.4
205.96887	0.4
206.80084	0.4
229.69855	0.5
243.02975	0.6
243.19638	51.7
243.89801	0.7
244.19969	5.7
246.65767	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	244.0673
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	0.5
61.98830	100.0
63.99257	0.5
68.79752	0.6
69.41416	0.4
70.00964	1.6
72.46230	0.5
98.20726	0.4
149.45329	0.4
221.30978	0.5
258.83878	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.0431
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	6.6
61.98801	2.4
70.57208	4.1
71.01396	4.0
72.99313	71.8
73.99627	1.4
76.54008	1.3
78.95910	59.0
89.02451	3.8
92.92802	7.4
94.92520	22.9
96.92212	5.4
96.96982	5.7
101.01882	1.3
101.02446	7.9
108.90205	7.4
110.89912	1.7
114.93624	3.1
119.03513	9.8
128.95969	2.2
145.06195	1.6
146.92622	8.4
149.25053	1.4
152.95975	58.0
152.98402	2.8
152.99588	44.1
153.96298	2.5
162.90887	1.2
169.98627	2.9
170.97029	100.0
171.00636	20.8
171.97397	3.6
209.06627	3.6
212.01308	1.3
212.14442	1.3
244.90253	26.4
245.04297	72.4
246.04608	3.3
249.06367	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1237
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45178	1.0
53.30168	1.1
59.01371	4.5
61.98840	8.7
64.32542	1.1
70.32162	4.6
71.05042	3.8
71.57752	1.0
97.02963	4.5
97.06602	1.7
99.00888	16.8
99.92593	2.4
110.03769	1.5
121.14249	1.3
125.09735	6.1
127.11271	1.6
142.02740	1.4
163.11316	8.5
164.11557	1.3
181.12352	17.6
182.12729	1.3
195.81990	1.1
197.11742	1.2
199.13422	21.3
207.10266	37.8
208.10623	2.2
225.11319	73.0
226.11661	4.2
243.12375	100.0
244.12749	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	243.1236
Annotation	Pandangolide 1a
Peak:m/z	Relative Intensity
57.03451	2.9
59.01377	65.2
60.01715	1.3
61.98831	6.7
65.19866	0.4
65.52306	0.4
67.01877	0.4
69.03454	0.5
69.88290	1.9
71.01403	0.4
72.99311	0.5
73.02950	4.8
83.04993	0.9
85.02965	0.7
87.00859	0.5
95.05010	0.5
98.49516	0.4
99.04581	0.4
99.92593	0.8
109.06638	0.4
111.00922	0.7
115.00363	0.5
116.05061	0.6
129.05576	1.0
137.09741	1.2
139.11305	32.8
140.11644	1.8
142.06633	0.8
146.17285	0.4
155.10767	0.7
163.11272	1.7
165.09201	1.8
171.10240	0.4
181.12350	23.4
182.12677	2.0
183.10268	50.8
184.10606	3.9
186.05565	0.5
193.02248	0.4
197.11754	0.6
199.13403	17.6
200.13663	2.0
201.11304	2.9
207.10336	0.8
225.11333	15.1
226.11678	1.5
243.02773	1.0
243.12364	100.0
244.10422	0.4
244.12677	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	243.1237
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28925	0.6
57.03437	1.9
59.01378	56.9
60.01707	1.0
61.98818	2.4
71.18008	1.8
73.02946	3.1
79.11785	0.7
83.05036	0.9
93.52147	0.7
99.92571	1.4
128.67545	0.7
137.09712	1.1
138.46207	0.7
139.11308	35.1
139.54320	0.7
140.11617	2.6
150.07950	0.6
155.10820	1.0
163.11282	1.9
165.09169	2.3
168.79478	0.8
181.12346	20.8
182.12708	2.1
183.10275	49.6
184.10628	4.7
199.13403	19.1
200.13747	1.7
207.10291	2.0
225.09279	0.6
225.11304	16.5
226.11641	1.9
243.12367	100.0
243.69182	0.7
244.12703	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	243.1237
Annotation	Unknow
Peak:m/z	Relative Intensity
54.56235	0.5
55.15147	0.5
57.03437	1.0
59.01372	3.7
61.98830	20.2
71.01375	0.8
71.05022	2.1
73.02942	0.8
97.02949	2.5
97.06606	1.0
98.76218	0.5
99.00893	11.2
99.92587	9.1
109.06623	0.5
110.02480	1.2
110.03706	0.6
111.00880	1.0
115.92088	0.8
123.08254	0.6
125.09743	3.5
136.05304	0.6
142.02730	0.7
153.12932	0.6
154.99889	0.6
155.14404	1.1
161.67198	0.5
163.11305	5.1
167.18265	0.5
169.12228	0.7
171.10283	0.8
181.12354	15.3
182.12651	1.2
197.11789	1.4
197.90630	1.6
199.13435	18.5
200.13777	2.1
207.10258	22.9
208.10626	2.2
222.06134	0.7
225.11317	45.6
226.11652	3.4
243.12361	100.0
243.89975	2.3
244.07265	1.0
244.12698	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	243.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83643	0.4
57.03446	1.4
59.01376	3.2
60.32382	0.4
61.98833	14.2
65.03970	1.4
67.01884	0.4
70.86228	1.3
71.01348	0.5
71.05004	0.7
73.02943	0.8
79.85336	0.5
83.05033	1.0
85.02954	0.6
85.06590	0.5
88.04025	2.2
97.06612	0.9
99.00864	0.5
99.04536	0.6
99.92602	1.3
101.02465	0.6
101.59823	0.4
105.07125	1.7
109.02983	0.9
110.02505	1.2
111.00870	0.6
113.06092	0.6
119.08663	1.5
123.08124	0.4
125.06121	0.5
129.09227	1.6
129.10350	4.1
130.08755	42.7
131.09105	1.4
137.09686	1.0
141.09229	0.8
141.10303	0.6
143.07140	0.8
144.07924	1.9
156.01242	2.1
157.13432	0.8
163.04108	0.5
163.11307	8.7
164.11615	1.0
181.12381	1.6
185.08286	0.5
197.90587	0.7
199.13408	2.1
199.18172	22.0
200.18486	2.0
243.02945	0.7
243.12357	5.6
243.17128	100.0
243.89984	1.5
244.02809	0.9
244.17445	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	243.0986
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	2.4
59.01370	6.2
61.98827	9.7
66.03494	3.0
68.01414	3.4
69.03453	1.9
70.02978	14.4
71.01392	7.0
71.67854	2.4
72.00912	63.1
72.99303	3.3
73.02954	8.0
80.05062	12.1
81.03349	1.4
82.02988	13.3
82.06629	9.8
83.01391	2.9
83.05035	2.6
83.69537	1.2
85.02969	2.0
86.02457	6.5
87.00883	2.9
89.28474	1.5
96.00928	6.7
96.04559	8.5
98.02493	13.1
98.06120	6.3
99.00895	11.2
99.04568	1.6
100.04063	11.6
101.02459	1.5
107.67163	1.3
108.04574	4.2
108.08195	5.2
108.78735	1.3
109.06630	2.1
110.02496	5.8
110.06132	1.6
111.05811	1.4
112.07690	2.3
113.02500	1.5
113.03556	2.8
114.05588	2.3
115.00395	3.6
116.03477	1.9
120.08198	1.6
124.07703	3.3
125.06116	2.8
126.05625	3.9
127.05178	1.7
128.03572	14.8
130.08757	2.1
131.63234	1.4
134.06117	2.9
136.04065	16.6
136.07678	6.7
138.05594	10.4
138.09268	2.1
140.07176	12.4
144.03040	83.4
145.01462	7.8
145.03343	2.8
146.04582	2.0
151.08804	4.7
152.07182	30.1
153.03175	1.6
153.06644	6.5
153.10316	1.7
156.06633	7.7
163.08786	7.4
164.07179	30.3
165.07608	2.5
169.09836	6.6
170.08257	3.1
180.06645	10.1
181.09848	26.8
182.08231	5.0
182.10081	2.0
188.62920	1.4
197.09267	8.6
199.10889	4.7
200.05705	3.6
207.07803	1.5
208.06180	17.5
225.08795	100.0
226.07179	9.1
226.09181	7.4
243.09862	71.0
244.08156	2.4
244.10258	5.4
244.12813	1.3
251.02815	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1808
Annotation	SCHEMBL1717294
Peak:m/z	Relative Intensity
57.03447	42.8
58.03775	1.7
59.01360	0.8
61.98830	24.2
65.36788	0.5
69.03461	1.5
69.64362	3.9
69.64780	1.0
72.46875	0.6
74.05956	0.5
83.05025	0.7
97.93163	0.9
98.19957	1.4
103.92023	0.7
126.90388	0.6
169.15988	2.4
173.87547	0.6
176.76805	0.6
181.07207	1.5
181.15958	2.5
183.09987	0.6
183.17497	2.3
193.15950	0.7
195.17567	2.8
197.19112	45.5
198.19437	3.8
213.18631	1.5
213.91670	0.8
241.18077	100.0
242.18407	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	241.1809
Annotation	SCHEMBL1717294
Peak:m/z	Relative Intensity
55.01862	1.1
57.03442	3.4
57.60137	0.5
61.98830	5.5
66.93163	0.6
69.03439	1.0
69.18094	0.5
71.01382	2.4
71.05023	10.5
71.66303	1.0
82.59412	0.5
83.05037	2.9
99.00882	0.9
100.01682	0.6
103.92005	1.1
111.18833	0.5
140.31868	0.5
167.14400	2.2
169.15991	42.7
170.16347	3.4
181.07178	1.1
193.15962	0.6
195.17543	15.1
196.17897	1.3
197.19115	43.4
198.19452	5.3
223.17038	7.9
224.17357	0.9
241.18079	100.0
242.18416	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	242.0518
Annotation	Unknow
Peak:m/z	Relative Intensity
59.19244	0.4
61.98831	100.0
62.98534	0.4
69.96453	2.4
69.96776	0.5
75.74172	0.3
134.36662	0.4
140.20801	0.4
151.35464	0.4
244.14723	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.0621
Annotation	Spongouridine
Peak:m/z	Relative Intensity
55.01875	1.2
57.03444	0.7
59.01376	2.3
61.15247	0.6
66.03490	15.0
68.01410	2.7
68.05063	0.8
70.02956	0.8
70.88008	1.4
70.88386	1.4
71.01391	5.0
72.00910	3.8
72.99301	1.5
73.02938	1.1
80.05075	1.1
81.02237	1.2
81.03417	0.6
82.02991	35.8
83.01396	2.3
83.03320	1.2
85.02960	0.8
90.96930	0.6
94.02984	2.8
94.57848	0.7
96.04572	2.4
98.02482	1.7
98.06111	0.9
99.00905	4.8
100.04059	1.8
108.04570	3.8
110.02493	100.0
111.00900	0.9
111.02022	7.5
111.02835	4.9
112.98840	6.2
115.00357	1.0
117.01961	1.8
120.04597	1.3
122.02486	8.0
123.02879	0.8
124.04019	2.8
128.03560	0.7
129.01938	2.1
132.03076	1.1
134.02576	0.7
138.01978	1.1
140.03561	10.0
142.99893	4.4
144.03050	16.1
145.01379	1.2
150.05611	1.9
152.03549	17.2
152.07172	1.0
153.02998	6.7
153.04066	0.8
163.08765	1.0
173.00925	4.6
181.09883	0.7
195.07758	4.6
200.05653	45.1
201.05978	2.8
205.03545	2.8
205.92981	0.6
206.04031	0.8
210.98288	1.1
213.08769	1.7
225.08801	12.3
226.12012	0.7
243.00938	1.3
243.06212	36.8
243.09785	3.4
244.06537	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.0985
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14666	2.8
55.01876	4.7
57.03444	8.6
59.01384	15.8
61.98830	19.8
62.37406	2.5
63.98086	2.9
64.12949	3.1
66.03495	4.4
68.05066	3.7
68.99834	2.9
70.28951	13.9
71.01389	24.3
71.32258	2.4
72.00905	17.4
72.99323	14.0
73.02930	7.9
75.00880	5.8
76.10774	3.1
76.66609	2.8
80.05070	4.4
82.03001	26.7
83.01389	7.6
85.02964	6.9
87.00874	7.8
89.02492	3.2
94.02981	3.2
98.02502	7.2
98.06142	3.8
98.19982	3.4
99.00893	33.4
100.04058	10.7
101.02467	6.9
110.02492	39.2
111.00896	16.3
112.98081	4.9
112.98837	60.4
113.99171	4.2
115.00385	18.2
117.01964	3.6
123.11405	2.6
129.01949	23.4
140.03633	4.0
142.99886	51.2
144.03053	100.0
145.01465	24.4
145.03409	3.5
146.88321	2.5
150.05602	12.4
152.03543	5.0
152.07162	6.4
153.03008	3.8
163.08798	5.6
164.07179	4.5
167.08182	5.0
173.00931	72.0
174.01247	6.2
181.09804	5.3
195.07761	23.7
200.05641	21.1
205.03552	39.6
210.98320	16.5
213.08812	7.8
225.08823	75.0
226.09113	6.6
243.00951	10.7
243.06184	16.6
243.09848	23.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1447
Annotation	A factor
Peak:m/z	Relative Intensity
51.35851	0.4
59.01378	100.0
60.01711	1.3
60.68406	0.4
60.99298	0.6
61.98826	8.4
61.99121	0.6
69.68067	2.7
71.05019	2.1
83.90973	0.4
101.02500	0.5
110.85127	0.5
134.02760	0.5
155.80316	0.4
163.11378	0.4
179.14366	0.8
181.07199	1.3
197.11995	0.4
210.84204	0.4
241.14450	38.3
241.21742	1.7
242.14842	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	236.0785
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02015	0.3
54.79141	0.4
57.97544	0.6
59.01373	1.2
59.99126	0.5
61.98826	2.0
63.28395	0.4
63.96239	100.0
64.96181	0.4
69.46822	1.5
69.47247	1.6
69.52769	0.3
71.01404	0.4
79.95750	1.0
98.19879	0.4
116.05416	40.9
117.05766	1.4
126.12919	0.9
161.02477	0.7
176.06052	0.4
188.11160	22.3
189.11537	1.5
205.05080	1.8
236.07680	0.5
236.09854	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1496
Annotation	Rumphellolide C
Peak:m/z	Relative Intensity
59.01378	53.1
60.69106	1.3
61.98832	10.2
65.30318	1.2
65.33768	1.3
68.01444	1.2
69.03460	19.5
70.84907	2.8
71.01369	3.0
72.78819	1.2
77.96894	1.1
85.02946	2.1
88.88262	1.2
95.68466	1.3
97.06606	47.4
98.06921	1.8
111.08168	1.5
121.10252	9.4
123.08182	52.9
124.08511	3.5
129.01921	1.3
139.07687	8.0
147.11801	10.6
149.06096	1.4
163.52029	1.4
165.09229	1.4
165.12946	2.2
167.07182	7.0
175.14989	8.6
179.10744	6.7
193.15991	2.5
219.13947	9.3
237.14960	100.0
238.15300	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	239.1289
Annotation	5OH-HIP
Peak:m/z	Relative Intensity
57.03448	44.7
58.03780	1.2
59.01380	86.5
60.01723	1.7
61.98838	2.4
62.16115	0.7
69.03458	3.9
69.94959	3.6
71.01386	4.4
71.05051	0.9
73.02984	1.0
81.03515	1.0
83.01424	1.0
83.05051	2.1
85.02990	2.4
85.06621	2.2
87.00880	7.9
87.01326	0.8
88.01294	0.7
89.02474	2.6
91.82049	0.7
95.05057	2.2
97.02988	0.9
99.00899	2.4
101.02487	2.1
107.05055	2.3
109.06605	9.5
111.04593	0.6
111.08167	0.8
117.01977	1.6
119.03469	0.9
120.05822	1.3
121.03007	1.5
121.06646	0.9
122.03764	0.8
123.08179	47.7
124.08527	2.7
125.02496	1.7
125.09737	7.2
133.10309	0.8
135.08179	13.0
136.08546	0.9
141.01918	1.2
141.05605	2.2
145.32745	0.6
149.09721	0.9
151.11313	10.1
155.20389	0.7
161.04582	9.7
177.04088	0.8
177.09273	0.9
177.12875	2.9
179.05627	47.5
179.10791	1.6
180.05988	2.3
195.10269	9.0
195.13910	100.0
196.14255	9.2
223.02863	1.9
223.07794	0.7
224.02875	0.7
233.00981	0.6
239.09383	7.6
239.12878	36.2
240.09558	1.3
240.13263	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	241.1082
Annotation	1-Acetoxy-7-hydroperoxy-3,7-dimethyl-2E,5E-octadien-4-one
Peak:m/z	Relative Intensity
57.03440	6.2
57.47146	0.7
59.01378	100.0
60.01719	1.2
61.98829	19.7
70.12252	3.6
70.12650	1.5
70.55713	0.8
71.01394	2.0
71.05014	2.2
73.02951	1.0
80.25928	0.7
83.05045	1.3
85.02951	0.9
99.04528	4.1
101.02468	1.3
119.08662	3.8
135.08165	1.1
135.11844	1.1
137.09749	8.1
159.77612	0.7
161.09766	0.9
163.06245	0.7
163.07661	2.7
166.78166	0.7
179.10793	5.5
181.07191	7.4
181.08731	21.1
182.09053	1.1
195.13867	1.1
197.11844	46.6
198.12210	5.2
223.09735	1.9
241.10825	24.5
241.14410	4.8
241.17964	1.4
241.21783	4.8
242.11102	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1081
Annotation	Phaeofuran B
Peak:m/z	Relative Intensity
53.08136	0.5
57.03458	1.2
58.33518	0.5
59.01387	2.7
61.98351	0.5
61.98827	13.6
62.04496	0.4
69.03468	3.7
69.43162	1.5
69.43578	3.2
69.76843	0.4
71.01390	0.6
71.05025	4.1
83.05041	0.6
101.02498	0.5
101.95351	0.5
103.25309	0.5
103.92068	1.2
123.08192	0.7
125.09718	2.4
132.58833	0.5
151.11281	1.7
153.12886	3.6
161.09756	1.0
177.09280	0.5
179.10779	6.2
180.11006	0.8
181.07191	1.6
197.11841	100.0
198.12192	8.4
213.91718	0.6
222.98985	0.6
223.09734	2.8
223.97498	0.5
239.59464	0.5
241.05460	1.8
241.10814	92.1
241.21753	2.0
242.11150	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	233.1183
Annotation	Espeletone
Peak:m/z	Relative Intensity
55.46984	0.3
57.03447	0.4
59.01377	34.3
60.01693	0.7
61.98848	0.4
67.01881	0.9
70.32623	1.3
71.01382	1.1
73.21686	0.4
75.00930	0.3
79.05552	1.0
83.01402	0.6
83.04991	0.3
93.03467	5.6
95.34188	0.3
109.06603	3.4
111.00892	0.5
111.04546	1.0
115.02007	0.3
121.06609	1.5
123.04509	1.1
123.79659	0.3
128.67998	0.4
129.01959	0.6
135.04555	3.3
136.05321	4.3
139.37756	0.3
147.11784	1.7
149.00999	0.7
149.02408	0.4
149.06033	0.5
150.06877	6.8
160.05238	0.4
160.98871	0.4
161.06073	0.6
162.06871	0.4
163.04041	1.6
164.04706	0.4
171.08220	0.7
173.04561	6.4
173.09724	5.2
174.04938	0.7
174.10156	0.5
175.04047	0.5
177.05588	4.5
178.03908	0.3
178.06354	8.4
179.06725	0.8
188.98587	0.8
189.01881	0.4
189.05577	4.3
189.09216	0.4
189.12799	2.7
190.06241	0.7
191.10788	22.9
192.11115	1.5
208.45773	0.3
215.10730	2.4
217.08751	6.8
218.05846	0.9
218.09102	0.6
232.97520	0.7
233.11835	100.0
233.15302	19.1
234.12183	9.8
234.15718	1.7
235.09689	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.0612
Annotation	CHEBI:67765
Peak:m/z	Relative Intensity
59.01379	10.4
61.01797	0.4
61.29051	0.4
61.98835	4.2
69.03458	1.0
70.26717	1.7
73.02923	0.5
85.02976	0.5
87.04523	8.7
92.02705	0.4
93.03467	43.0
94.03806	1.6
95.01398	0.9
108.02173	2.3
121.02978	6.3
126.59827	0.4
133.02921	0.7
134.03339	0.4
135.04547	1.0
137.02449	1.1
143.05048	0.6
145.06607	4.2
147.04556	0.9
148.05328	1.0
158.03734	0.7
161.02487	1.2
161.06113	4.1
162.02856	0.4
162.89357	0.4
163.07666	100.0
164.08018	8.4
173.06081	1.8
177.00246	0.4
189.05615	0.6
191.07149	39.8
192.04395	0.6
192.07506	3.7
207.06635	1.7
217.04985	4.0
235.06122	44.6
235.09892	1.2
236.06453	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	235.0975
Annotation	Carboxyibuprofen
Peak:m/z	Relative Intensity
51.13896	0.3
51.58223	0.3
59.01377	13.0
61.98830	7.2
70.19675	1.7
71.01377	0.7
73.02949	0.4
75.00842	0.7
76.08817	0.3
80.10822	0.3
83.01395	0.5
89.92602	0.3
93.03461	0.4
94.03003	0.9
99.92613	0.4
101.02449	0.3
103.04279	0.3
105.24346	0.3
105.32529	0.4
107.00691	0.4
107.01391	0.8
109.02964	0.5
113.02421	0.4
115.92079	0.5
121.02951	0.6
122.03741	4.1
132.02213	0.8
133.87868	0.3
134.89485	0.5
135.04520	0.5
144.05791	1.8
147.04504	0.7
147.11786	0.8
148.05283	0.7
148.93915	0.4
149.02457	2.0
149.09734	3.6
158.07310	0.4
160.01688	2.2
161.02409	0.6
161.06116	0.6
162.06825	0.5
162.89369	1.0
163.02940	0.3
163.07632	0.5
164.04742	0.5
173.09741	3.5
174.03232	0.7
174.05545	0.4
174.10068	0.6
189.09229	0.6
191.02402	1.0
191.07129	1.0
191.10794	10.1
192.04283	0.7
192.11128	1.3
203.07135	1.3
207.02873	0.3
207.06694	0.8
207.95206	0.6
212.88799	0.3
217.06407	0.5
217.08675	4.7
218.08926	0.5
220.06290	2.2
235.09743	100.0
236.10083	11.8
236.13861	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	236.0049
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85685	0.3
61.98831	100.0
62.98500	0.4
63.58720	0.3
63.77121	0.3
70.51724	0.3
70.52056	1.1
71.01398	0.8
72.99303	0.4
75.00882	0.7
87.00900	1.8
112.51588	0.4
112.98830	0.4
115.00413	0.8
133.01485	1.7
135.01213	0.4
135.03046	1.3
135.92175	0.4
142.99870	4.5
173.00958	0.9
173.99052	0.3
237.04233	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.0819
Annotation	Coumarsabin
Peak:m/z	Relative Intensity
54.90889	0.4
59.01378	84.9
59.97294	0.4
60.01700	1.7
60.99300	0.9
61.98834	0.9
67.01888	2.2
70.32884	0.4
71.01381	2.6
71.69576	0.8
72.99310	0.5
74.67184	0.4
75.00894	0.6
78.87096	0.3
79.05536	0.4
81.03462	8.4
83.01422	0.7
93.03465	11.5
94.03837	0.9
96.80699	0.4
99.00910	0.7
99.92648	0.3
103.05569	1.2
105.03462	0.5
107.05074	1.8
111.00890	0.8
111.04544	2.2
115.92077	0.5
121.02961	0.7
129.01965	1.2
129.07202	0.4
133.02971	0.7
133.06589	0.7
135.51474	0.4
136.01698	0.6
145.02960	0.5
145.06622	1.6
145.10272	4.1
147.08119	0.6
149.02499	2.0
156.05882	0.7
159.04568	0.5
160.89375	0.5
161.02428	0.9
161.06108	3.1
161.09760	0.5
162.03282	0.8
163.07614	0.5
171.08176	1.3
173.04570	15.0
173.06075	0.9
174.03316	0.5
174.04842	0.9
174.06822	0.7
177.01878	0.5
185.02463	0.8
187.07634	0.6
188.98549	2.8
189.01936	5.8
189.05602	8.3
189.07468	1.0
189.09219	17.8
190.02519	1.4
190.05974	0.9
190.09607	1.6
197.06039	1.1
200.04741	0.6
203.03543	0.4
205.05083	0.6
214.69026	0.4
215.07098	1.2
218.05832	8.1
219.06245	0.7
232.97549	2.4
233.04446	2.8
233.08191	100.0
233.15457	44.3
234.04895	0.5
234.08517	10.1
234.15802	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	233.0818
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01561	0.3
58.60930	0.4
58.65406	0.3
59.01377	28.1
60.01716	0.6
61.87208	0.3
61.99467	0.3
64.50746	0.3
67.01897	1.0
71.01413	1.3
74.99096	0.3
93.00124	0.4
93.03468	4.6
99.00915	0.6
111.04556	0.9
117.03474	1.7
124.50401	0.3
133.02945	1.0
134.99419	1.0
149.00974	7.2
150.00990	0.6
161.02455	15.7
161.06425	0.6
162.02866	1.4
173.04564	6.3
173.07040	0.3
174.04930	0.6
184.00246	0.6
189.01941	60.6
190.02309	4.8
190.06351	8.1
191.06790	0.9
217.07181	9.8
218.05829	100.0
219.06171	9.2
232.97502	0.8
233.08147	30.0
233.10353	10.8
233.15439	18.7
234.08493	3.6
234.10542	1.4
234.15782	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.0819
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	0.6
59.01378	62.8
60.01726	1.1
60.99319	0.4
61.98824	0.5
65.00339	0.3
65.10995	0.3
65.11318	0.4
67.01885	1.8
71.01379	2.4
71.57732	0.5
73.02935	0.4
75.00864	0.5
83.01421	0.4
84.71971	0.3
93.03469	8.5
95.05011	0.4
99.00911	0.5
103.92068	0.7
105.03473	0.8
111.00921	0.9
111.04540	1.2
115.92039	0.5
117.03496	1.4
119.05061	0.4
121.03001	0.5
123.04542	0.7
127.76549	0.4
129.01987	1.3
133.02971	20.2
134.03316	1.2
136.01665	0.7
145.02974	1.6
147.00899	20.1
148.01297	1.0
160.89272	0.4
161.02464	13.1
161.06076	0.9
162.02846	1.0
162.06870	1.4
163.04004	0.5
173.04572	11.2
174.04933	0.6
175.00380	12.2
175.03935	0.5
176.00749	0.7
177.01945	1.4
179.03604	0.4
188.98569	2.7
189.01942	58.9
190.02299	6.3
190.06358	11.4
191.06763	0.8
196.78693	0.4
203.03465	1.8
205.15976	0.5
218.05840	100.0
219.06187	10.0
232.97563	1.9
233.04553	27.7
233.08183	49.8
233.15450	29.5
234.05011	2.9
234.08536	4.5
234.15788	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	233.0454
Annotation	Ancistroquinone B
Peak:m/z	Relative Intensity
50.95176	0.4
52.64243	0.3
57.03454	0.5
57.34761	0.4
59.01377	100.0
60.01719	2.0
60.99308	0.6
61.98834	1.3
64.73156	0.4
67.01881	1.8
69.03454	0.4
70.77084	1.1
71.01375	2.3
72.99318	0.5
73.00710	0.3
73.02965	0.5
75.00889	1.1
81.03476	0.5
83.01403	0.8
85.02944	0.4
88.98905	0.4
93.03467	9.7
93.04034	0.6
94.03801	0.4
99.00872	0.7
101.02471	0.5
103.92042	0.4
111.00893	0.6
111.04553	1.4
111.88080	0.3
115.92087	0.7
115.94250	0.4
117.03516	0.5
121.02972	0.5
129.01991	1.2
133.02994	1.8
136.01683	1.2
145.02919	0.5
149.02455	3.5
159.04559	0.4
160.89304	1.4
161.02455	3.4
161.06088	1.0
161.89439	0.7
162.03239	53.4
163.03584	4.1
173.04558	13.7
174.03337	0.4
174.04903	1.1
188.98552	5.0
189.01888	0.7
189.05534	0.8
190.02724	40.5
191.03107	3.3
194.02171	0.6
204.04068	0.6
205.01472	1.5
205.05055	57.0
206.05415	5.4
218.05905	0.6
232.97531	4.3
233.04541	52.8
233.15451	38.7
234.04913	5.0
234.15739	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	233.0457
Annotation	Ancistroquinone B
Peak:m/z	Relative Intensity
57.03443	0.7
59.01381	97.0
60.01709	1.3
60.99298	0.8
61.98829	1.0
65.00337	0.5
67.01904	2.3
67.38118	0.4
69.03450	0.7
69.79066	2.4
71.01389	3.6
71.51607	0.4
72.99304	0.5
73.02947	0.7
75.00880	1.0
78.95940	0.5
79.22362	0.4
81.08654	0.4
83.01435	0.5
85.02977	1.1
89.04066	0.5
93.03477	11.7
94.03855	0.7
95.05040	0.4
99.00871	0.6
99.92570	0.6
101.02477	0.7
105.03494	2.4
111.00945	0.8
111.04546	2.3
115.92100	0.8
117.03429	2.2
121.02977	1.1
123.04530	0.8
129.01938	0.8
133.02975	36.4
134.03336	1.9
136.01678	1.1
144.58568	0.4
145.02980	1.9
147.00909	11.0
148.01378	0.7
149.02338	0.4
151.04100	0.5
159.04538	0.7
160.89253	0.7
161.02466	18.6
161.06114	0.6
162.02873	1.0
162.06860	1.0
163.04037	0.9
173.04562	16.2
174.03421	0.6
174.04893	1.2
175.00406	6.7
176.00812	0.7
177.01964	2.5
179.03433	0.4
188.01131	0.4
188.98557	3.4
189.01952	100.0
190.02316	7.5
190.06366	5.7
203.03548	1.0
215.03484	0.5
218.05844	52.4
219.06219	5.1
232.97577	3.1
233.04553	51.3
233.08194	27.1
233.15463	45.8
234.04956	5.5
234.08527	2.5
234.15831	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	233.0819
Annotation	Unknow
Peak:m/z	Relative Intensity
53.64361	0.2
56.47751	0.2
57.03442	0.3
57.30278	0.2
59.01378	30.9
60.01713	0.6
60.99306	0.2
61.98826	0.4
66.26471	0.2
66.82397	0.2
67.01902	0.9
69.90346	1.3
71.01395	0.8
73.02945	0.2
75.00885	0.3
83.01389	0.3
85.02974	0.2
90.77055	0.2
93.03468	4.1
111.04484	0.4
115.92063	0.3
117.03522	0.3
119.01273	0.2
129.01958	0.3
133.02960	0.5
145.02960	1.2
147.00900	21.6
148.01208	1.5
161.02460	4.5
162.02951	0.4
162.06927	2.3
173.04561	4.6
173.06049	0.3
174.03249	0.4
174.04874	0.3
175.00381	11.7
176.00682	0.7
179.03540	0.4
188.01192	0.2
188.98560	0.8
189.01941	13.3
189.05594	0.7
189.09154	0.2
190.02431	1.3
190.06363	11.4
191.06729	1.1
203.03488	1.8
207.38216	0.3
218.05841	100.0
219.06184	9.6
219.08379	0.3
232.97501	0.8
233.04431	1.3
233.08191	46.7
233.15454	15.8
234.08510	5.2
234.15848	1.8
239.94911	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.135
Annotation	Leu-Thr
Peak:m/z	Relative Intensity
55.01860	6.5
56.98021	1.9
59.01372	3.7
65.03962	3.2
69.22412	1.2
70.04001	1.2
70.05582	5.1
70.05994	3.2
71.01385	4.0
72.00916	4.3
72.04555	1.8
76.02172	1.4
82.02986	52.4
83.01391	1.8
87.00912	1.9
87.92539	3.0
97.01182	5.4
99.00871	9.0
111.35474	1.6
116.03538	1.6
123.94661	2.4
125.00687	43.7
126.01019	2.7
136.99222	1.4
140.10826	6.9
141.10355	55.3
142.08781	2.4
142.10706	3.2
142.12375	4.0
143.01733	24.1
144.02072	1.7
144.03017	6.4
159.94368	1.3
167.11867	9.6
168.10307	96.9
169.10701	7.0
169.13519	7.0
173.81088	1.4
185.12962	90.0
186.13277	5.8
195.11409	9.7
213.02272	1.8
213.12445	100.0
214.12816	6.7
231.03191	3.9
231.13527	70.6
232.13870	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	231.1351
Annotation	H-Thr-Leu-OH
Peak:m/z	Relative Intensity
59.01378	1.9
61.25431	0.5
61.98826	0.8
70.76643	1.1
70.76974	0.6
72.99316	1.8
73.04073	15.3
73.68922	0.4
78.95911	0.9
87.92554	1.5
103.92060	0.8
114.09214	0.6
123.94724	0.5
124.90351	0.5
130.08754	86.2
131.09109	4.0
141.10345	0.6
143.03661	0.5
143.11920	25.0
144.12302	0.9
173.50864	0.5
181.64368	0.5
187.10892	100.0
188.11255	6.2
188.97218	1.5
189.74248	0.5
231.08650	1.5
231.13490	30.5
232.13835	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	231.1602
Annotation	SCHEMBL4748090
Peak:m/z	Relative Intensity
57.03448	1.3
59.01381	1.4
61.98825	0.2
64.52891	0.2
66.00397	0.2
71.09994	0.5
87.92525	1.1
96.96006	0.4
103.92008	0.4
105.93679	0.2
123.94664	0.8
125.09750	0.3
127.11299	2.2
128.11629	0.3
155.14410	0.5
158.45392	0.2
163.74431	0.2
171.10277	3.4
172.10596	0.3
183.13957	0.6
185.15475	0.4
195.13826	0.5
213.14925	3.9
214.15317	0.6
229.14464	3.3
230.14793	0.4
231.16002	100.0
232.16341	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	231.2117
Annotation	Aplotaxene
Peak:m/z	Relative Intensity
59.01379	18.9
61.98827	12.2
69.83672	8.0
78.14015	1.1
90.21056	1.3
97.02979	1.5
97.06583	2.1
99.92562	1.9
113.06116	1.7
121.58183	1.3
122.33119	1.5
123.94704	1.5
146.96596	4.4
169.01471	3.2
187.98743	1.5
231.06660	1.8
231.10416	1.7
231.17526	2.5
231.21172	100.0
232.21530	16.0
245.19133	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.0303
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.3
57.03447	10.9
59.01378	63.3
60.99294	1.6
61.98831	21.6
67.01872	4.8
68.99812	3.2
71.01385	53.6
71.63618	1.4
71.64049	1.8
72.99306	6.4
73.02942	5.5
74.78478	1.0
78.95936	1.7
82.69249	1.0
83.01401	7.9
83.81002	1.1
85.02958	9.8
87.00881	4.2
88.04063	5.4
89.02458	2.6
93.03476	7.7
96.96980	2.1
99.00901	16.8
101.02457	1.7
111.00883	17.2
115.00391	47.5
129.01961	25.4
130.02293	1.4
132.03050	17.8
133.01447	100.0
133.05083	7.0
135.95679	2.2
146.97043	1.5
149.04530	3.4
173.00934	6.2
173.04543	4.6
191.94577	2.1
199.19629	1.1
233.04678	1.3
233.06613	7.2
233.10303	2.3
233.15463	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	233.0302
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57082	2.1
55.01871	2.6
57.03444	16.4
57.29749	1.8
59.01377	100.0
60.99303	2.6
67.01891	6.3
68.99802	4.0
69.97573	1.9
71.01385	71.6
71.08893	2.5
71.09248	3.6
71.32478	1.9
73.02955	12.8
83.01405	14.6
85.02966	13.4
87.00871	3.0
93.03484	5.7
94.03820	1.8
96.96962	3.2
99.00886	34.0
101.02445	2.8
111.00893	26.2
115.00379	4.0
129.00992	2.3
129.01955	39.6
145.05005	1.8
161.06042	2.6
173.00923	8.3
173.04550	3.4
217.25056	2.3
233.10295	4.8
233.15417	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	229.1445
Annotation	Dodecanedioic acid
Peak:m/z	Relative Intensity
52.56934	0.2
57.03444	1.4
59.01371	0.5
60.31367	0.2
69.70499	1.7
71.05016	0.7
83.05038	0.5
84.02171	0.5
85.02963	0.6
97.06598	0.4
99.92604	1.4
106.39461	0.2
115.92074	0.3
125.09738	2.4
127.11304	3.6
128.11668	0.2
146.36691	0.3
155.14439	2.3
165.12831	0.7
167.14409	1.4
168.14722	0.3
171.10289	4.3
183.13959	0.9
185.11819	0.8
185.15475	0.4
197.11816	0.5
201.15009	0.4
203.30069	0.2
209.11835	3.0
210.12161	0.4
211.13419	6.8
212.13785	0.6
227.13071	0.3
229.14453	100.0
230.14793	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	229.1558
Annotation	Val Ile
Peak:m/z	Relative Intensity
57.03445	1.6
59.01369	2.2
61.98822	2.1
69.03424	0.7
71.01411	0.6
71.64836	0.7
71.65263	0.7
75.00880	1.0
78.95932	0.7
83.05045	0.9
85.02959	0.6
87.00867	1.0
96.97011	0.7
97.02979	0.6
97.06621	0.6
99.92593	2.0
114.09253	1.1
115.08797	4.5
116.92905	1.1
130.08762	30.6
131.09085	1.4
144.04619	0.8
152.85091	0.6
155.10773	0.9
185.16611	26.3
186.17003	2.2
187.96028	0.5
197.38025	0.7
229.05164	1.3
229.10910	5.8
229.15598	100.0
230.11148	0.8
230.15887	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	229.1809
Annotation	13-Hydroxytridecanoic acid
Peak:m/z	Relative Intensity
54.31091	0.7
57.03451	0.7
59.01378	100.0
60.01699	1.7
71.01402	0.6
71.71922	0.8
92.57664	0.5
99.92603	6.9
115.92019	0.7
116.92865	1.2
183.17560	0.9
211.13510	0.7
229.14731	3.6
229.18065	37.0
230.15416	0.6
230.16382	0.7
230.18433	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	229.1443
Annotation	Dodecanedioic acid
Peak:m/z	Relative Intensity
57.03447	1.2
58.00611	0.1
59.01380	0.1
65.43643	0.1
67.01881	0.1
69.03446	0.1
71.01392	0.1
71.05034	0.4
80.02657	0.1
83.05027	0.5
84.02192	0.4
85.02943	0.7
86.03253	0.1
86.86832	0.1
97.06589	0.4
119.86800	0.1
122.27512	0.1
123.08156	0.2
125.09738	2.7
126.10091	0.1
127.11301	4.0
128.11679	0.2
134.44885	0.1
151.11346	0.1
153.09221	0.1
153.12874	0.1
155.14430	1.6
156.14761	0.1
163.11264	0.2
165.12851	0.7
166.13107	0.1
167.10730	0.1
167.14415	1.5
168.14784	0.1
171.10278	3.7
172.10620	0.3
175.11310	0.1
181.12221	0.1
183.13890	1.1
185.15417	0.2
193.12341	0.3
197.11729	0.1
199.13396	0.1
201.14955	0.3
202.15381	0.1
209.11842	2.7
210.12213	0.2
211.13397	6.4
212.13733	0.6
227.12869	0.2
229.14435	100.0
230.14769	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	229.1445
Annotation	Dodecanedioic acid
Peak:m/z	Relative Intensity
54.51970	0.1
54.62012	0.2
54.77673	0.1
55.01879	0.2
57.03451	1.0
57.15460	0.2
59.01377	0.3
71.05017	0.3
71.69713	0.3
83.05042	0.9
84.02163	0.4
85.02956	0.5
97.06577	0.4
109.88458	0.2
113.01917	0.2
125.09741	1.8
126.10129	0.2
127.11311	3.5
128.11594	0.3
135.08134	0.2
139.11481	0.2
143.10843	0.2
151.79884	0.2
155.14418	0.9
163.11217	0.2
165.12839	0.7
167.10829	0.3
167.14420	2.1
168.14760	0.4
171.10289	3.7
172.10638	0.2
181.12332	0.2
183.13892	1.8
193.12360	1.1
209.11841	2.8
210.12224	0.2
211.13402	9.5
212.13713	0.9
218.65216	0.2
229.14445	100.0
230.14780	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	229.1445
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	1.1
57.90782	0.2
59.01352	0.3
69.03437	0.2
69.49357	2.1
71.05022	0.9
76.86047	0.2
83.05022	0.7
84.02170	0.8
85.02950	0.7
97.06599	0.6
99.92590	0.4
101.06078	0.3
109.12738	0.2
125.06013	0.3
125.09750	3.8
127.11311	4.9
128.11615	0.3
153.99217	0.2
155.13289	0.2
155.14445	2.4
157.83443	0.2
165.12833	0.7
167.14417	1.9
171.10286	0.4
183.13898	0.8
185.15424	0.3
209.11821	2.0
210.12152	0.3
211.13416	3.7
212.13751	0.3
229.14439	100.0
230.14774	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	227.1289
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24812	0.6
70.08582	2.5
79.63187	0.7
83.05003	0.7
98.19864	0.7
111.08163	0.8
134.89478	0.7
153.46472	0.7
165.12865	17.9
166.13200	1.5
183.13916	100.0
184.14267	8.5
200.60977	0.7
209.11836	5.2
210.12094	0.9
227.12895	26.9
227.20114	1.9
228.13226	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	227.1654
Annotation	13-Hydroxy-2-tridecenoic acid
Peak:m/z	Relative Intensity
50.40710	1.1
52.33775	1.1
55.01894	1.8
57.03439	4.5
59.01366	2.9
61.98822	4.7
69.03439	1.6
71.01375	3.5
71.05018	11.4
71.20389	1.5
71.20715	2.3
78.08839	1.2
83.01405	1.1
83.05017	4.0
99.00906	2.8
99.92593	7.9
104.29724	1.2
111.00899	1.8
116.52567	1.3
117.70566	1.2
139.11261	2.3
147.11806	1.5
153.12907	2.1
155.14432	50.7
156.14757	4.7
165.12770	2.4
172.96820	1.1
175.36407	1.2
180.83104	2.0
181.16002	18.7
182.16333	2.4
183.13979	10.4
183.17548	56.0
184.17886	4.6
202.54416	1.1
209.11819	5.8
209.15468	7.2
210.15813	1.8
227.09155	2.0
227.13213	9.6
227.16512	100.0
227.19922	20.2
228.08878	1.6
228.16859	13.2
228.20399	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	227.1653
Annotation	13-Hydroxy-2-tridecenoic acid
Peak:m/z	Relative Intensity
57.03449	50.9
58.03782	1.3
59.01365	1.1
67.01888	1.5
67.58829	0.8
69.03450	2.6
69.39844	9.1
84.12326	0.8
95.01422	2.1
99.92590	3.0
107.33951	0.8
111.00878	1.6
132.10431	0.8
139.00348	1.5
139.11343	1.4
152.99583	1.5
155.14406	3.1
165.12871	3.4
167.14430	2.2
169.15994	2.5
181.07288	1.1
181.15988	3.3
183.13998	8.0
183.17552	58.7
184.17841	5.3
197.19167	1.5
198.34605	0.9
199.16997	1.3
209.11839	11.0
210.12181	1.3
226.98322	1.0
227.12871	5.5
227.16530	100.0
227.19948	19.5
228.16876	9.4
228.20401	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1193
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10045	0.5
55.01888	1.2
57.03404	0.6
57.33770	0.4
59.01382	1.6
61.98825	0.9
66.58801	0.5
69.03422	0.5
69.95410	1.3
69.95818	1.9
70.02983	1.8
71.01390	2.2
72.00910	10.7
72.04556	0.9
72.99323	0.5
73.02950	3.8
75.76100	0.5
81.26708	0.5
82.02986	35.4
82.06628	0.5
83.01408	1.2
83.03328	0.8
85.02968	0.8
87.00849	0.5
88.04064	0.7
97.04131	0.5
98.02477	1.3
99.00885	5.9
99.05637	0.6
100.04047	4.6
101.69019	0.5
109.06618	0.6
110.09803	0.9
111.08180	0.9
116.03537	1.3
122.06118	1.0
128.03554	1.5
130.08759	2.3
138.09239	4.0
139.08784	13.8
140.07106	0.6
140.09105	1.1
140.10857	1.3
141.09224	0.7
143.11876	2.4
144.03043	22.3
145.03369	0.5
156.10269	0.5
160.03529	0.5
165.10353	1.9
166.08745	30.0
167.09050	2.1
167.11926	6.4
183.11401	22.5
184.11781	2.2
185.12973	2.2
191.65947	0.5
211.10883	100.0
212.11234	7.5
229.01477	0.6
229.11975	25.5
229.14238	0.9
230.12148	2.0
230.15419	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.129
Annotation	Unknow
Peak:m/z	Relative Intensity
54.49287	0.2
55.31031	0.2
57.03448	0.4
58.75776	0.2
59.01368	0.5
59.46138	0.2
61.98837	0.3
69.33350	2.2
69.33774	0.5
71.01383	0.3
71.05017	0.7
80.02685	1.5
81.03458	1.8
82.99571	0.3
83.01408	0.4
83.05035	7.3
84.02166	3.4
84.05341	0.3
95.05055	0.7
97.02970	0.3
97.06624	0.5
99.92556	0.6
109.06597	0.5
125.06072	0.9
125.09761	0.4
135.08142	0.9
139.11308	0.4
145.87898	0.2
147.11801	0.3
163.10066	0.4
163.11317	4.8
164.11671	0.7
165.12859	4.7
173.45213	0.2
181.07191	0.4
181.12349	0.8
183.13885	1.2
191.10834	1.8
199.13370	0.7
209.11835	100.0
210.12183	10.0
227.03531	0.3
227.12889	5.9
227.16513	0.3
227.20169	2.0
228.13211	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1289
Annotation	Cladospolide B
Peak:m/z	Relative Intensity
57.03438	0.4
59.01374	0.4
69.63811	2.4
71.05054	0.5
80.02681	2.0
81.03463	1.4
83.01412	0.5
83.05034	6.6
83.05494	0.6
84.02175	3.9
84.05374	0.3
94.81526	0.3
95.05042	1.1
98.20641	0.6
125.06077	0.7
125.09727	0.4
135.08186	1.0
147.11856	0.5
163.11304	4.6
164.11641	0.3
165.12849	3.4
181.12369	0.7
183.13943	0.8
191.10748	1.1
209.11833	100.0
210.12169	10.1
227.12898	4.0
227.20152	0.8
228.13242	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.129
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86787	0.8
57.03432	1.8
59.01372	2.1
61.98811	2.2
70.91095	1.3
71.01386	0.9
81.03461	0.8
83.05016	1.5
95.01364	0.8
95.05073	1.0
97.06567	2.0
98.82916	0.7
99.92587	4.8
101.02453	0.7
111.00865	1.3
111.08170	3.0
114.31245	0.8
115.24511	0.8
139.11337	1.5
154.99936	1.1
163.11296	1.0
165.12871	25.5
166.13217	1.9
180.83119	3.6
181.07196	2.5
181.12427	0.8
183.04657	1.0
183.13921	32.9
184.14270	2.3
197.26524	0.8
199.13428	1.0
208.93353	1.0
209.11836	20.3
210.12253	1.5
227.12892	100.0
227.16577	3.1
227.20148	14.0
228.13231	9.7
228.20520	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1289
Annotation	Traumatic Acid
Peak:m/z	Relative Intensity
52.62069	0.2
57.03460	0.3
59.01379	0.4
59.95992	0.2
61.98820	0.4
69.03461	0.3
70.98469	0.6
81.33383	0.2
99.92606	0.8
111.08192	1.1
135.08282	0.2
151.28441	0.2
156.14020	0.3
165.12868	20.6
166.13161	1.8
180.83101	0.6
181.12379	0.5
183.13916	100.0
184.14343	8.9
209.11812	2.1
212.56415	0.3
219.13188	0.2
227.12891	26.2
227.20155	2.4
228.13240	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	227.1289
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	0.8
70.58375	0.5
70.58733	1.0
71.01381	0.3
71.05008	0.3
80.02683	2.2
81.03471	1.6
83.05032	6.9
84.02155	2.7
84.05341	0.3
93.03479	0.4
95.05041	0.8
97.06594	0.4
99.46176	0.3
99.92612	0.6
109.06592	0.4
111.08121	0.4
125.06113	0.5
135.08182	1.0
136.35934	0.3
139.11290	1.1
147.11647	0.3
163.11305	5.5
165.12875	3.8
166.13203	0.3
180.83070	0.4
181.12350	0.8
183.13901	1.2
187.39560	0.3
191.10826	1.5
199.13457	0.5
209.11827	100.0
210.12192	10.4
210.14232	0.5
227.09233	0.6
227.12875	5.3
227.16525	0.6
227.20161	2.2
228.13229	0.3
228.20631	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1289
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	1.3
59.01377	100.0
59.98522	0.1
60.01715	1.5
60.99306	0.4
69.72749	0.6
69.73158	0.3
83.05033	0.3
95.05023	0.4
97.06599	0.6
98.20010	0.3
98.40019	0.1
99.92613	0.3
109.06635	0.3
149.09711	0.1
165.12845	1.3
167.10786	1.0
181.07236	0.2
183.13916	1.0
199.13382	0.3
209.11879	0.9
226.91570	0.1
227.12883	30.0
227.20125	1.1
228.13205	3.2
238.35799	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1132
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	0.9
57.98380	0.6
58.32491	0.6
59.01377	7.3
61.98830	26.3
71.01385	0.7
73.02947	16.5
83.01411	0.7
83.05026	1.2
89.02489	0.8
93.03468	3.1
95.05042	1.5
97.02989	1.4
99.04550	0.7
101.02480	0.8
107.92127	0.7
109.02994	1.0
109.06595	4.2
121.06592	1.0
125.25125	0.6
126.90509	2.2
137.02454	2.3
138.01976	0.8
141.86823	2.0
143.86528	2.4
151.11320	0.7
153.02000	0.8
153.12865	2.8
159.88000	0.6
161.87668	1.0
162.83922	1.5
163.00368	0.7
163.11293	10.5
164.11539	1.0
165.01930	1.9
174.85147	0.7
178.83426	14.6
180.04250	1.4
181.12354	100.0
182.12819	8.0
195.02988	1.7
195.06599	1.6
196.91615	0.7
197.11929	2.7
199.60831	0.8
207.10248	8.7
208.10684	1.3
210.05370	2.3
224.80658	0.9
224.82753	1.7
224.90565	2.2
225.04001	1.2
225.07675	2.1
225.11324	17.0
225.14891	13.6
225.18451	1.4
225.92636	8.2
226.11714	1.7
226.15092	1.0
229.75307	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1495
Annotation	Annuionone E
Peak:m/z	Relative Intensity
59.01377	9.6
61.01789	1.2
61.98830	50.7
62.44225	0.7
68.99813	0.8
71.01376	1.5
71.57688	1.4
80.45224	0.8
93.03451	5.4
109.02967	1.4
126.90551	1.7
135.58202	0.9
136.98811	1.6
137.02440	3.8
138.01962	1.3
143.07135	1.8
143.86472	1.5
151.00443	0.9
153.12843	3.3
154.01471	1.0
159.82243	0.8
162.45760	1.0
163.11276	2.1
163.14987	1.2
165.01950	3.0
166.02655	0.8
177.45938	0.8
178.83415	7.6
180.04297	1.6
181.12341	3.6
181.15944	1.3
195.02922	1.5
195.06587	1.8
195.13931	7.7
197.11777	2.0
197.15524	3.6
207.10371	1.6
207.13901	21.5
208.14250	2.4
210.05391	1.9
218.42511	0.9
224.90565	2.8
225.00392	1.9
225.07718	2.2
225.11333	5.5
225.14961	100.0
225.92670	17.6
226.15302	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	225.186
Annotation	Myristoleic acid
Peak:m/z	Relative Intensity
52.67792	0.2
55.01872	0.5
59.01370	0.7
60.19279	0.2
61.98837	1.1
65.00316	0.8
68.99821	6.9
70.93566	0.2
70.93884	0.4
71.01378	0.2
79.67166	0.2
84.02164	0.3
85.02938	0.4
93.03480	0.8
97.02940	0.3
109.02961	0.2
126.90538	0.5
136.98898	0.3
137.02470	0.5
138.01981	0.3
139.12479	0.2
153.12914	0.3
154.96614	0.2
165.01869	0.3
179.18030	0.2
180.04352	0.2
181.12257	0.2
183.39047	0.2
195.03036	0.2
195.17569	0.8
206.99358	0.3
210.05292	0.2
223.17088	0.2
224.80336	0.2
224.90544	0.5
225.00456	0.6
225.18607	100.0
226.18939	12.3
226.21242	0.2
235.55409	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.186
Annotation	Myristoleic acid
Peak:m/z	Relative Intensity
59.01374	0.9
61.98825	1.6
65.00321	1.9
68.99837	0.3
70.52049	0.9
71.05018	0.2
93.03454	1.5
98.20605	0.2
101.09029	0.2
112.24994	0.2
126.90508	0.5
136.98849	1.1
137.02470	0.7
138.01981	0.3
138.39214	0.2
141.86818	0.6
143.86560	0.7
145.01443	0.2
161.87550	0.3
178.83403	3.9
181.01424	0.3
195.06703	0.3
197.11742	0.3
197.19168	0.3
206.99286	0.5
207.10278	0.3
224.80368	0.4
224.82613	0.4
224.90564	0.7
224.96794	0.3
225.00504	1.0
225.18605	100.0
225.92697	0.5
226.18951	13.5
234.57327	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1038
Annotation	Pro-Hyp zwitterion
Peak:m/z	Relative Intensity
50.88269	1.1
55.01899	1.8
57.03437	2.6
58.02962	2.0
59.01368	6.3
61.98827	6.6
68.99824	2.0
70.02991	2.1
71.01379	6.7
71.64230	2.1
72.99298	1.6
73.02953	1.6
74.02473	5.2
75.78891	1.5
78.95908	4.0
82.02989	18.7
82.06640	4.9
83.01391	4.2
84.04553	3.7
85.02966	3.7
86.02484	2.5
87.00897	2.5
96.04563	3.1
96.95980	1.4
97.06632	3.0
98.02496	2.9
98.06130	7.4
99.00915	3.2
99.92585	6.1
100.07701	5.7
104.18910	1.2
108.04581	1.9
109.01762	1.9
111.00915	6.6
111.04575	1.6
112.04061	3.8
112.07787	1.7
112.98811	12.0
113.07221	2.0
115.00369	1.8
121.02966	2.3
121.06602	1.6
122.06149	3.7
122.09773	3.0
123.04542	1.7
127.00388	4.5
127.05151	7.4
128.03558	100.0
129.01950	3.2
129.03897	3.2
139.07742	1.7
144.03052	3.2
149.06036	1.6
155.11816	2.9
163.08818	1.8
165.10353	9.6
165.12865	4.8
166.05003	1.9
166.08710	1.8
173.00989	4.1
173.92630	1.5
181.07188	4.2
181.09851	5.5
183.11414	3.4
183.13919	13.0
186.38405	1.2
205.25899	1.4
209.09297	7.4
209.11758	3.3
210.07780	1.7
226.99625	2.1
227.03535	1.9
227.10497	50.3
227.12862	9.1
227.16504	3.8
227.20180	21.9
228.10674	4.0
228.20605	2.5
249.75539	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	219.1026
Annotation	Precocene II
Peak:m/z	Relative Intensity
50.03368	0.3
51.65408	0.3
54.68451	0.3
59.01373	1.0
61.98831	5.3
70.80157	0.3
70.89291	1.0
93.03455	0.5
95.01381	0.6
95.09765	0.3
95.55129	0.3
105.03471	0.6
108.02161	0.6
108.74634	0.3
109.02979	1.0
118.60310	0.4
121.02972	19.4
122.03290	0.9
123.00899	1.4
123.04526	0.7
137.02483	2.1
149.02457	41.5
150.02820	2.8
160.08980	0.9
160.72482	0.4
163.07660	5.0
164.04803	20.8
165.05136	1.4
172.88425	0.3
175.07614	0.5
176.08495	0.7
177.05600	0.4
191.07048	0.6
196.03770	30.1
197.04114	1.9
197.33371	0.3
204.07895	2.3
209.31679	0.3
219.10263	100.0
219.17485	7.0
220.10587	11.3
220.17923	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1391
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36045	0.9
54.84640	1.0
59.01373	2.5
61.98828	10.8
62.94601	0.9
65.03970	1.5
67.01904	1.2
70.89159	3.0
71.05015	1.3
79.05522	1.4
81.03463	29.2
84.02178	1.5
88.03181	1.6
93.03463	7.5
94.17568	0.9
95.01400	2.2
95.05035	1.0
97.02970	1.5
105.03502	1.2
106.04253	23.6
107.05042	91.7
108.02187	14.2
108.05379	4.7
111.08157	1.2
119.05003	1.3
120.05846	1.6
121.02996	3.8
121.06557	1.2
123.04502	1.0
125.09737	3.2
130.04268	1.7
134.03757	25.9
138.03181	2.3
139.11316	2.1
144.05981	0.9
147.04524	2.9
148.05328	2.4
151.11292	3.0
162.06902	2.1
165.09183	1.0
167.10805	2.8
169.12437	1.2
173.13306	1.1
177.12846	13.1
184.26807	1.0
191.14435	7.7
192.14769	1.4
193.10738	1.5
193.12378	19.0
194.05916	1.6
194.12733	1.6
201.12904	3.2
202.13165	1.0
219.13908	100.0
219.17212	14.3
220.14272	10.7
220.17702	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	225.1133
Annotation	Unknow
Peak:m/z	Relative Intensity
55.42318	0.3
57.03440	0.5
59.01147	0.3
59.01382	3.3
60.01706	0.3
61.01785	0.3
61.98531	0.4
61.98831	7.9
70.61187	0.6
70.61539	1.0
71.01386	0.5
71.05004	0.6
76.46071	0.3
81.03454	0.6
83.01344	0.3
83.05040	0.7
89.02462	0.3
89.67975	0.3
91.41263	0.3
93.03458	1.4
94.93633	2.4
95.05009	0.5
97.02960	9.6
97.06566	0.7
98.03292	0.4
99.00890	3.3
109.06608	2.8
110.03758	3.0
121.06585	0.5
123.04507	0.7
123.08208	0.4
125.09720	1.3
126.90536	0.5
135.08174	2.0
136.05321	2.2
137.02405	0.7
141.86853	0.4
142.02733	5.0
143.03145	0.4
143.86528	1.2
151.11264	0.4
153.12827	1.1
161.09709	1.1
162.83925	0.5
163.00436	0.5
163.11304	9.8
164.11624	1.1
165.01877	0.7
166.82094	0.3
178.83418	3.4
179.10822	1.0
180.04315	0.8
181.12357	30.2
182.00836	0.4
182.12692	2.9
189.09120	0.4
191.26965	0.3
195.06535	0.5
197.11861	2.1
207.10263	60.6
208.10603	6.9
210.05238	0.9
224.82655	0.4
224.90559	0.7
225.11317	100.0
225.92665	3.1
226.11661	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	217.0483
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45609	24.4
53.11608	26.2
66.62696	28.8
69.71733	25.3
70.65819	100.0
108.75737	26.1
124.89165	40.0
161.88034	26.6
188.89505	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	217.0483
Annotation	Unknow
Peak:m/z	Relative Intensity
55.23380	4.3
56.21899	4.2
59.01378	59.1
61.98832	44.6
69.64309	31.2
71.01390	18.3
71.72282	4.7
72.99308	5.5
83.01377	8.0
85.02924	8.2
89.02440	17.0
99.92617	4.7
100.81861	4.3
101.02444	11.5
115.00365	7.2
116.92094	7.8
116.92876	100.0
124.89136	40.8
127.03978	4.4
133.01439	11.4
145.02849	4.7
152.37344	4.0
170.88721	15.3
173.02490	7.6
174.05586	5.3
174.99274	12.1
179.05566	5.2
181.07164	29.8
188.89467	31.9
199.85117	30.3
200.85069	5.8
216.85423	12.0
216.87968	6.4
217.00153	13.1
217.04967	15.3
217.08722	4.6
218.04623	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	217.0507
Annotation	Ancistronaphthoic acid B
Peak:m/z	Relative Intensity
52.48781	0.3
56.56353	0.3
59.01380	28.5
60.01722	0.6
60.21378	0.3
61.98831	5.8
69.45639	0.3
70.13877	1.0
70.14281	0.6
71.01382	0.5
73.02947	0.4
85.02990	0.6
87.95736	0.3
88.04054	0.3
89.02462	0.6
89.03967	0.4
90.97172	0.5
96.96030	0.6
99.04544	0.3
99.92593	0.4
101.02472	0.3
104.50043	0.3
105.03472	0.4
112.90593	0.3
115.00441	0.4
116.92873	3.8
117.03463	4.4
119.01382	0.4
124.89142	5.3
127.04053	0.8
129.03403	0.4
132.98227	0.6
133.01434	0.8
133.02957	1.4
145.02975	3.5
147.00899	13.5
147.04539	2.6
161.02461	4.6
162.06877	0.8
163.04047	1.8
170.88667	1.6
173.02449	65.6
173.06094	2.5
174.02812	5.8
174.05467	0.4
174.99234	6.4
175.00426	4.2
175.03989	1.5
181.07178	1.3
188.89471	4.3
189.01941	7.4
189.05602	2.7
190.06367	4.8
199.04155	0.4
199.85115	1.4
202.02748	1.2
203.03503	0.7
216.85349	1.0
216.88048	0.8
217.00458	8.7
217.05057	100.0
218.05748	31.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.1082
Annotation	3-Hydroxysebacic acid
Peak:m/z	Relative Intensity
56.15472	0.3
57.03431	0.7
59.01376	13.5
61.98807	1.4
62.96383	0.5
66.93765	0.4
69.55020	0.6
69.55425	2.9
71.01362	0.7
73.02939	0.7
74.23627	0.3
75.04527	0.3
83.05028	0.5
85.02963	0.8
89.02494	0.4
96.95988	0.5
116.92870	0.6
121.66709	0.4
124.89127	2.1
125.09734	0.9
126.10770	0.4
127.03980	0.4
127.11275	2.1
132.98199	0.6
133.71425	0.4
137.09734	2.6
140.00060	0.3
145.02988	0.7
146.06126	0.5
153.09212	1.3
155.09450	0.7
155.10786	33.1
156.11122	2.6
171.10277	41.6
172.10599	3.1
173.02438	1.1
173.06100	0.4
174.03214	0.4
174.05652	0.5
174.99257	2.6
181.07208	0.7
181.08688	0.7
188.89484	1.8
189.01915	0.5
199.09753	5.3
200.10170	0.6
217.00073	3.3
217.04727	2.7
217.10791	100.0
218.04622	1.2
218.11124	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	217.1193
Annotation	Ser Leu
Peak:m/z	Relative Intensity
52.57121	0.6
55.34228	0.7
59.01378	25.2
61.98821	1.7
69.66803	5.2
70.21050	0.6
71.01385	9.9
71.05019	12.8
72.00899	0.7
73.04070	12.4
73.36575	0.7
79.39920	0.6
83.01395	0.9
83.04988	0.8
85.02965	0.9
87.00889	0.8
88.04047	72.5
89.02476	1.8
96.96019	1.4
99.00886	0.8
99.04536	4.4
101.02436	0.8
114.09224	1.0
115.00394	1.4
116.07209	1.7
116.92933	0.9
127.04011	0.9
129.05630	0.9
130.08754	82.0
131.09126	3.7
133.01424	1.4
141.10361	2.7
143.11917	18.5
144.12262	1.6
146.08250	38.5
154.40709	0.6
155.11896	1.1
172.05371	0.9
173.06107	1.3
174.99283	6.8
181.07254	1.1
187.10898	100.0
188.11253	6.5
199.11009	1.4
200.09256	3.0
216.98224	1.1
217.00197	6.9
217.03229	1.2
217.05023	3.9
217.11948	54.2
218.00728	0.6
218.04868	0.8
218.10355	22.1
218.12329	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	213.1496
Annotation	3-Oxododecanoic acid
Peak:m/z	Relative Intensity
55.01834	1.0
57.03448	66.8
58.03785	1.1
59.01369	1.7
61.98829	1.8
67.86044	0.8
69.03462	3.9
71.05025	1.1
83.04994	1.0
95.01420	0.8
97.02954	1.7
98.19900	3.3
115.99960	0.8
125.02467	1.3
131.16193	0.7
140.57021	0.9
141.12868	3.9
151.07788	0.9
151.11241	1.0
153.12875	4.6
155.14423	3.7
167.14435	5.4
168.98909	3.5
169.15988	65.7
170.16336	7.4
182.88757	0.9
185.15472	2.5
194.99446	1.9
197.52661	1.0
197.99181	2.0
213.11563	2.7
213.14964	100.0
213.18501	3.5
214.01421	1.1
214.15285	10.7
230.59570	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	215.0925
Annotation	Isoketocamphoric acid
Peak:m/z	Relative Intensity
57.03459	1.0
59.01378	100.0
60.01718	1.7
60.67283	0.7
61.98835	2.5
63.87826	0.6
69.38691	5.4
70.15463	0.6
70.93970	0.6
71.01390	2.0
71.05044	1.7
72.99334	0.8
73.02955	0.9
80.89384	0.6
83.05025	1.0
85.02968	0.6
89.02461	1.8
91.43860	0.5
93.03483	1.1
97.06575	1.8
99.00905	2.9
101.02484	0.7
101.06060	0.8
109.06611	0.7
111.08175	10.2
113.02451	0.9
122.89417	4.7
125.02454	0.6
125.09747	1.9
127.11361	0.8
129.05611	0.6
129.11217	0.6
135.08243	1.0
143.10719	0.9
144.00920	8.6
145.01268	0.7
145.06674	0.8
146.06104	0.6
152.55927	0.7
153.09239	12.2
153.10490	0.8
155.07181	7.1
168.86011	0.5
171.02005	1.3
171.10280	36.4
172.00346	0.8
172.10643	2.8
179.07083	0.6
186.89764	4.0
193.91209	0.7
197.08218	4.8
197.11757	0.7
198.08521	1.0
215.00999	73.9
215.07213	2.7
215.09227	36.7
215.12529	4.9
215.16551	1.0
216.01343	6.5
216.09680	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	215.1653
Annotation	11-Hydroxydodecanoic acid
Peak:m/z	Relative Intensity
54.09869	0.4
56.68531	0.5
59.01377	100.0
60.01715	1.7
61.98827	1.6
69.52299	2.6
69.52709	1.2
89.02478	0.5
98.20679	0.8
101.02411	0.5
106.67190	0.5
122.89442	4.6
129.24458	0.4
144.00909	1.3
169.16034	0.5
186.89789	3.5
215.00977	10.6
215.03061	0.9
215.16522	28.0
216.01437	0.7
216.16855	3.0
216.43022	0.5
229.96992	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1497
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01721	0.3
54.54559	0.3
57.03431	0.4
59.01366	0.9
61.98829	2.3
70.23513	1.5
74.55059	0.3
96.33926	0.3
97.07377	0.3
102.53463	0.3
118.92441	0.3
120.89895	1.0
122.49850	0.3
137.09683	0.3
167.14418	8.7
168.14755	0.8
168.98973	1.9
169.12433	0.6
183.13908	4.5
184.14215	0.4
184.90312	0.4
192.59099	0.3
195.13921	9.9
196.14270	1.4
211.13402	1.1
213.01891	0.5
213.14963	100.0
214.15298	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	213.1496
Annotation	Putaminoxin E
Peak:m/z	Relative Intensity
51.63462	0.2
59.01364	0.4
61.98820	0.2
70.89749	0.6
72.03968	0.2
77.89639	0.2
83.81421	0.2
91.33317	0.2
92.93315	0.2
93.03458	0.7
103.91399	0.2
106.49277	0.2
113.39404	0.2
165.12810	0.3
169.12262	0.3
177.12936	0.2
182.99899	0.3
183.13910	24.1
184.14272	2.6
195.13908	21.4
195.15833	0.2
196.14262	2.3
199.54089	0.2
211.13380	0.6
213.14966	100.0
214.01434	0.2
214.15312	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	213.1497
Annotation	NFX-4
Peak:m/z	Relative Intensity
50.15319	0.7
51.58049	0.8
57.03443	6.0
58.00609	0.8
61.98841	3.9
69.03451	1.7
71.01379	2.7
71.05025	15.1
71.29746	2.0
83.05031	5.5
97.02947	1.1
99.00894	2.2
113.09718	1.0
120.67240	0.7
120.89916	1.0
139.11281	2.4
141.12871	62.3
142.13217	4.3
160.60585	0.8
166.65323	0.7
167.14433	26.9
168.14745	3.4
169.15994	78.1
170.16335	6.5
185.11797	1.0
195.13899	12.3
196.14204	0.8
213.14966	100.0
214.15340	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	213.1133
Annotation	(-)-Pestalotin
Peak:m/z	Relative Intensity
57.03442	3.9
59.01371	1.3
61.98834	0.8
65.17490	0.4
65.93992	0.3
68.60607	0.3
69.03465	1.0
69.46360	3.9
71.05019	0.6
73.02946	0.4
79.95738	0.5
81.03481	0.4
81.04176	0.4
83.05038	1.1
84.02528	0.4
85.06599	0.6
95.05046	0.5
109.06591	0.6
111.04495	0.5
111.08170	8.1
119.08583	0.4
120.89877	0.5
123.08174	33.9
124.08487	2.5
125.09728	4.3
127.10323	0.5
137.09738	6.4
138.10075	0.5
139.11299	53.3
140.11638	4.4
151.11290	9.6
152.11661	1.2
153.09238	1.0
167.10762	1.7
169.08694	0.4
169.12346	6.3
170.12663	0.6
183.13988	0.6
184.90236	0.4
194.99290	0.4
197.99208	0.5
213.01308	2.0
213.11322	100.0
213.18567	1.6
213.51323	0.5
214.11668	9.3
223.77103	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1133
Annotation	2,2'-(3-methylcyclohexane-1,1-diyl)diacetic acid
Peak:m/z	Relative Intensity
57.03461	0.7
59.01379	2.6
59.41271	0.6
61.98833	6.6
62.08730	0.5
66.36605	0.6
67.35095	0.5
71.69397	0.6
73.02956	0.7
81.03475	0.7
83.05042	1.1
85.02958	0.6
87.25066	0.5
88.04046	0.5
93.03427	0.6
97.02959	1.3
97.06584	1.0
118.92494	0.7
120.89893	3.2
125.09762	0.7
151.10120	1.0
151.11304	13.5
152.11688	0.7
157.86349	1.1
164.45705	0.6
165.05521	0.5
168.98976	3.6
169.12350	100.0
170.12712	7.2
177.90291	1.8
183.13852	0.6
184.90227	3.3
194.99438	0.9
195.10269	1.0
195.13933	0.8
197.99236	0.6
198.62308	0.6
213.01791	0.8
213.05681	1.3
213.09242	1.2
213.11325	21.0
213.14880	6.4
213.18521	3.7
214.11642	2.3
222.57980	0.6
229.67259	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1339
Annotation	7-Oxo-11-dodecenoic acid
Peak:m/z	Relative Intensity
59.01378	2.6
61.98829	6.8
63.20475	0.3
63.99260	0.3
67.01873	0.3
69.03450	1.3
69.42931	0.4
70.99826	1.0
71.01363	0.7
73.02956	0.4
78.95898	0.9
83.05017	0.6
85.02962	0.4
89.02434	0.4
92.56657	0.3
95.01396	1.2
95.05011	0.4
97.06546	0.4
98.02457	0.3
116.88268	0.3
121.02935	0.8
123.00890	0.5
123.04507	0.4
124.04031	0.6
124.89571	0.4
125.04400	1.1
126.56467	0.3
139.11252	0.5
148.01717	0.4
151.06123	2.3
153.05603	0.9
165.12920	0.4
167.10799	2.4
167.14452	1.9
181.01443	0.8
181.05132	0.4
183.13911	13.4
184.14235	1.3
192.97699	0.5
193.12320	3.3
196.03777	1.5
210.95015	0.8
211.06059	1.2
211.13397	100.0
211.94696	0.7
212.13737	10.5
232.69301	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1704
Annotation	trans-Delta2-11-methyl-Dodecenoic Acid
Peak:m/z	Relative Intensity
52.43741	0.8
59.01366	1.9
61.98827	6.5
65.07201	0.8
71.01388	1.0
71.70554	0.9
86.05172	0.7
89.02444	1.1
94.02985	1.0
95.01404	3.9
97.02951	0.8
99.00925	0.7
111.00887	1.4
112.98692	0.7
123.00897	2.9
124.04050	1.5
125.04406	2.0
151.06160	2.7
154.06326	0.9
164.98314	0.9
166.99907	1.0
167.10811	0.9
167.14421	1.3
192.97754	1.0
196.03723	0.9
201.21747	0.6
210.98790	1.2
211.06082	1.6
211.07954	1.3
211.13506	5.2
211.17049	100.0
212.17380	12.1
231.81613	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1339
Annotation	MKN-003B
Peak:m/z	Relative Intensity
53.70329	0.5
57.03455	0.7
59.01382	3.3
61.98831	16.3
69.03468	1.5
69.88979	1.7
69.89398	2.0
71.01390	1.5
78.95911	1.2
81.03465	1.9
82.61330	0.5
85.02985	0.6
89.02518	0.7
93.03455	0.6
94.02980	1.0
95.01406	2.2
97.02959	0.7
101.02464	0.8
109.06605	1.6
111.08173	8.6
121.02961	0.8
121.92261	0.7
123.00875	1.0
124.04082	1.7
125.04409	2.3
126.28578	0.7
126.90468	0.8
137.02486	0.6
139.00435	0.8
139.03996	0.9
149.13371	100.0
150.13728	10.2
151.06145	4.5
153.05627	1.0
155.14452	0.8
163.04042	0.6
165.12886	1.4
166.93916	0.6
166.99826	1.0
167.10799	0.9
167.14426	25.4
168.14757	2.3
181.01399	1.0
183.13924	1.1
183.92285	0.9
192.97745	0.7
196.03804	2.1
210.94971	1.6
211.04108	0.9
211.06120	2.2
211.07910	0.8
211.09862	1.1
211.13394	27.6
211.94684	1.8
212.07561	0.7
212.13728	3.6
233.82072	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.134
Annotation	6-epi-7-Iso-cucurbic acid
Peak:m/z	Relative Intensity
54.92170	0.5
57.03445	0.6
59.01378	7.2
60.99304	1.1
61.98837	4.8
66.03496	0.5
69.77203	3.4
71.01378	0.6
75.00917	0.6
78.95900	1.1
81.03465	1.0
83.05039	1.2
89.02429	0.7
95.01397	1.9
97.06601	3.9
98.06963	0.5
101.02441	0.7
102.06744	0.5
108.74467	0.5
109.02963	0.6
109.06586	0.7
111.04529	0.6
112.98615	0.7
121.02996	0.8
123.00890	1.0
123.03554	0.5
123.04558	1.0
124.04070	0.8
124.89503	0.5
125.04434	0.7
130.72180	0.5
133.05127	0.5
137.02530	0.5
137.09750	0.7
139.00400	0.5
139.04045	0.6
139.07674	0.8
139.45709	0.5
149.13365	2.3
151.06151	3.4
153.01956	0.5
153.05612	0.9
165.12871	1.9
166.91138	0.6
166.93756	0.4
167.10774	2.9
167.14452	4.8
181.01463	1.5
181.05089	0.9
183.13904	0.8
192.97621	0.6
193.12369	6.5
194.12756	0.6
196.03671	2.3
209.11887	1.1
210.93022	0.6
211.06094	1.5
211.13405	100.0
212.13751	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	211.0613
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46218	0.3
57.03444	0.4
59.01373	1.0
61.98802	0.4
65.00325	1.1
66.97247	0.3
68.99847	0.3
71.01391	0.6
79.29731	0.3
83.01403	0.3
85.02956	0.4
89.02472	0.5
95.01394	0.9
97.02954	4.9
99.27143	0.4
101.02484	0.4
109.02959	0.4
123.00878	0.5
125.09752	1.1
127.52032	0.3
127.56004	0.3
137.02467	2.2
139.07716	0.4
151.06143	1.6
153.01952	30.5
154.02295	1.6
164.98244	0.5
167.03468	0.8
167.10780	0.7
181.01437	100.0
182.01775	6.2
195.02998	1.8
196.03773	97.0
197.04106	7.5
198.72841	0.3
211.06120	31.8
211.09691	1.5
211.13356	2.1
212.06436	3.0
218.82758	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0613
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	1.2
61.98841	0.7
65.00320	0.8
71.01382	0.6
73.62114	0.5
81.03465	0.5
95.01418	0.8
97.02989	4.6
101.02451	0.5
105.56830	0.4
109.02966	0.6
110.36450	0.4
115.42258	0.4
121.02908	0.4
123.00904	0.5
124.04026	0.4
125.02412	0.4
125.04372	0.5
125.09719	1.2
137.02470	2.1
151.06125	1.9
153.01958	30.3
154.02296	1.5
164.98276	0.6
167.03465	0.8
167.10776	0.5
181.01442	100.0
182.00206	0.4
182.01796	6.0
183.14063	0.4
189.39030	0.4
195.02997	1.5
196.03778	99.1
197.04092	6.9
211.06125	33.2
211.09706	2.0
211.13379	2.0
212.06403	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	211.1341
Annotation	7-Oxo-11-dodecenoic acid
Peak:m/z	Relative Intensity
53.13097	0.1
57.03430	0.3
59.01365	0.7
61.98822	0.3
66.63903	0.1
66.86720	0.1
69.03445	0.8
71.01385	0.2
71.04505	0.3
81.03491	0.1
83.05031	0.6
85.06595	0.5
91.05497	0.1
95.01417	0.3
95.05001	0.1
97.06590	0.2
103.99068	0.1
110.42057	0.1
111.08125	0.2
113.09737	0.3
123.00873	0.1
123.03615	0.1
123.04488	0.1
124.04069	0.3
125.02442	0.1
125.04404	0.2
125.09744	0.1
137.02415	0.2
137.09744	0.2
143.31229	0.1
149.09782	0.2
151.06104	0.6
153.05595	0.2
155.10828	0.6
156.99800	0.1
164.98318	0.2
165.12845	0.4
166.99736	0.2
167.10797	0.9
167.14397	1.3
175.11360	0.2
181.01393	0.2
181.12408	0.3
183.13911	11.4
184.14273	1.0
192.97762	0.1
193.12350	3.6
194.12682	0.4
196.03758	0.3
211.13399	100.0
212.13745	10.5
216.57893	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	210.0409
Annotation	5-(2'-Formylethyl)-4,6-dihydroxypicolinate
Peak:m/z	Relative Intensity
57.03443	1.3
58.40577	0.6
59.01105	0.7
59.01376	7.1
61.60876	0.6
61.98833	10.1
69.36918	1.5
69.37343	3.9
71.01373	1.6
77.03951	0.6
78.23943	0.6
78.95905	4.9
81.03453	1.6
83.01402	1.0
85.02978	0.7
89.02464	1.0
93.03477	0.9
94.02993	2.2
98.20694	1.3
101.02438	0.9
103.04296	1.9
104.05076	32.4
105.05414	1.9
107.05105	0.6
108.04552	0.6
109.02991	1.2
120.04575	4.8
121.02985	0.8
122.03274	1.5
122.06108	1.4
123.04518	1.5
123.08172	1.0
124.00426	0.9
124.04060	6.5
125.02470	7.0
129.05571	1.9
134.03758	0.6
136.01721	1.3
137.02492	0.6
141.01851	0.7
148.01636	2.7
148.04065	54.5
149.04440	2.8
149.06070	1.1
151.03961	2.1
151.06120	3.7
153.02000	0.6
153.05565	2.3
163.04022	1.8
166.05107	100.0
166.49869	0.5
166.91055	2.1
167.03503	0.8
167.04106	0.8
167.05449	6.3
167.06935	1.1
167.10733	1.1
167.19115	0.6
181.01437	1.6
181.05150	4.0
196.03790	1.7
209.95004	2.8
210.02028	0.8
210.04077	15.4
210.07851	1.9
210.90091	0.8
211.00154	1.5
211.04330	0.9
211.06114	4.8
211.09756	0.7
211.13342	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1184
Annotation	Libanotic acid
Peak:m/z	Relative Intensity
57.03448	2.7
59.01378	100.0
60.01717	1.8
61.98832	4.5
65.00340	0.2
66.01082	0.2
66.03481	0.2
69.03452	0.3
70.37687	0.7
70.38056	0.4
73.92358	0.2
78.77534	0.2
80.02703	0.7
81.03464	1.4
82.53972	0.2
83.01400	0.2
83.05061	0.5
85.02961	0.2
89.02460	0.4
91.01902	0.3
93.03474	0.4
94.03001	1.7
94.45201	0.2
95.05042	0.3
97.02934	0.3
97.06598	2.8
98.20687	0.3
109.06602	3.7
110.06975	0.3
120.02238	0.3
121.02969	26.6
122.03300	1.7
124.04050	5.5
131.19040	0.2
136.01657	0.3
147.11780	0.3
149.09743	0.3
163.11259	0.2
164.94141	0.6
165.01952	0.4
165.05620	0.4
165.09201	0.3
165.12866	4.3
166.13266	0.5
179.03416	0.2
181.05055	0.2
194.02161	0.3
209.01314	0.2
209.04579	4.1
209.06467	0.3
209.08470	0.5
209.11826	18.9
209.94939	1.4
210.04839	0.5
210.07759	0.5
210.12167	1.7
220.12572	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1184
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06578	0.4
57.03454	2.4
59.01380	12.9
61.98832	36.4
62.31676	0.5
65.00326	0.8
66.03494	0.6
67.73724	0.4
69.03461	13.9
71.01391	1.5
71.05040	2.8
73.02953	0.8
80.02731	0.5
81.03445	0.7
83.05035	2.9
85.02944	0.5
89.02444	0.7
91.01944	1.1
91.92133	0.8
92.99849	0.7
93.03478	2.7
94.02997	5.4
95.05033	2.0
96.96011	1.5
97.06611	0.6
99.21405	0.4
108.05827	0.8
109.02995	1.3
109.06595	1.3
110.25024	0.5
111.08184	2.4
114.05584	0.6
120.02193	0.7
121.02973	100.0
121.10252	1.0
122.02504	0.9
122.03293	6.2
123.00842	0.6
124.04060	20.4
127.07662	1.0
133.02966	0.7
133.37334	0.4
135.04541	0.7
135.08191	1.6
136.01628	1.1
136.98868	0.5
137.02452	1.3
137.09781	0.5
139.07727	0.6
147.11818	1.3
149.09859	0.5
153.09204	3.2
163.11316	2.0
164.94115	2.1
164.98306	0.9
165.05562	0.6
165.09201	2.7
165.12871	13.3
166.02713	0.7
166.13142	1.1
173.09705	0.9
179.03529	1.1
181.05008	1.0
181.10828	0.8
181.12360	11.2
181.13951	0.7
182.12695	1.1
191.10796	17.5
192.11139	1.9
194.02206	2.1
194.05930	1.0
208.93195	1.0
209.01111	0.9
209.02724	0.9
209.04591	15.6
209.08316	2.8
209.11835	66.6
209.94904	13.6
210.04860	1.4
210.07727	1.9
210.12190	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	209.0456
Annotation	Clavatoic acid
Peak:m/z	Relative Intensity
57.03440	0.8
59.01157	0.3
59.01382	3.8
60.72929	0.3
61.60011	0.4
61.98828	3.0
69.89178	2.0
69.89596	0.5
71.01380	0.8
73.02921	0.5
81.03457	1.5
83.01370	0.4
83.05024	0.7
85.02963	1.7
87.00887	0.7
87.25079	0.3
89.02449	1.0
91.01911	0.9
93.03471	0.9
94.02982	3.6
96.96026	0.5
97.89639	0.4
107.05051	0.4
111.00918	0.4
120.02179	0.6
121.02975	68.7
121.06609	100.0
122.03300	4.1
122.06934	6.0
123.04564	1.0
124.04068	10.2
129.01938	0.9
135.04526	0.7
136.01666	1.1
136.98795	0.4
137.02455	0.5
137.06187	0.4
149.02470	0.4
151.00375	0.4
151.04019	1.4
161.02435	0.4
164.94193	0.7
165.05585	49.3
166.05969	3.5
168.64485	0.4
169.97435	0.4
176.16890	0.4
179.03517	5.9
180.03883	0.6
183.10283	0.3
194.02220	1.2
194.05858	6.1
209.04587	16.9
209.06541	1.5
209.08299	3.3
209.11784	5.5
210.04944	1.5
210.07603	1.0
210.12215	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1183
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	0.5
59.01383	3.9
61.98826	2.0
65.03956	0.8
66.03472	0.7
67.01904	0.4
69.03464	0.5
69.69405	2.8
71.01380	1.0
73.02942	0.6
78.95905	11.4
81.03461	100.0
82.03794	4.8
83.05026	2.2
85.02944	1.0
87.00896	0.6
89.02453	0.9
93.03470	0.9
94.02990	4.4
95.01410	0.8
95.05004	0.9
101.02462	0.5
108.02226	0.4
109.02957	3.3
111.04539	0.7
111.08166	5.6
112.08518	0.3
113.20492	0.4
120.02187	0.5
121.02969	50.2
122.03266	3.2
123.04551	0.4
124.04058	11.6
127.07667	6.9
128.08057	0.4
129.01945	0.6
136.01630	0.4
137.06108	0.4
141.09247	0.6
147.11813	1.0
153.03223	3.5
163.11317	2.3
165.01918	0.5
165.05579	0.6
165.09196	0.6
165.12814	1.7
171.78600	0.4
178.99834	0.5
179.03482	0.7
191.10799	5.6
192.11073	0.6
194.02179	1.0
194.05873	0.9
201.22241	0.4
209.02724	0.7
209.04543	7.5
209.06502	1.2
209.09608	3.6
209.11815	49.2
210.04980	0.9
210.07741	1.3
210.12170	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	209.0667
Annotation	beta-D-Sedoheptulopyranose
Peak:m/z	Relative Intensity
53.00312	1.0
55.01874	3.6
57.03449	24.4
58.00592	1.2
59.01379	19.6
61.98829	25.2
67.01888	1.0
67.32304	0.6
68.99800	1.6
69.03468	1.2
71.01387	12.0
71.58932	1.2
71.69821	0.6
72.99307	2.3
73.02944	3.4
83.01394	6.9
84.02173	6.1
85.02958	61.9
86.00113	0.8
86.03301	2.0
87.00883	28.7
87.04524	1.0
89.02461	6.3
97.02966	2.5
99.00910	7.1
101.02450	3.4
111.00891	8.8
112.98827	10.5
115.00387	2.0
124.98825	2.3
129.01959	43.1
130.02255	1.7
130.18518	0.7
133.01450	2.6
139.31589	0.7
141.01987	3.9
142.99881	42.1
144.00244	1.9
148.04103	1.6
159.02994	10.6
166.05119	2.3
173.00919	14.4
174.01260	1.0
208.98653	1.6
209.06673	100.0
209.94922	8.6
210.07040	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	206.0824
Annotation	N-Acetyl-L-phenylalanine
Peak:m/z	Relative Intensity
50.94851	0.5
57.03451	0.7
58.02974	35.9
59.01383	6.5
61.76561	0.5
62.30767	0.6
66.21687	0.5
70.02982	13.7
70.72249	1.7
70.85703	0.5
71.01405	0.8
72.00911	5.9
72.99332	0.8
73.02966	0.8
80.74372	0.5
83.01399	0.7
84.45045	0.5
91.05537	11.7
92.05876	0.5
99.00883	0.9
111.04094	0.7
119.05029	1.0
127.00375	0.9
129.01967	1.2
135.04530	1.4
147.04539	38.0
148.04884	2.5
152.84349	0.5
161.66438	0.6
162.02051	0.6
162.09277	1.2
164.07181	100.0
165.07510	8.1
177.01888	1.8
192.04236	3.2
206.08226	43.0
207.06612	2.5
207.08565	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	206.9745
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	2.6
60.37234	0.1
61.98830	100.0
62.98540	0.2
70.14521	0.6
71.01379	0.3
75.00903	0.1
77.88068	0.1
85.02985	0.1
99.00899	0.3
101.02472	0.1
119.25472	0.1
123.04554	0.2
129.01964	0.5
130.02342	0.1
142.04654	0.1
147.03011	0.6
149.02455	0.2
162.98489	1.2
163.17282	0.1
164.96439	0.5
165.05611	0.1
177.01950	1.0
192.04280	1.1
206.97453	9.8
207.06696	0.5
207.97568	1.5
214.28281	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	205.0355
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	8.8
57.03442	6.9
58.00596	4.8
59.01380	81.3
67.01897	4.4
68.08580	3.1
68.99814	13.4
71.01397	72.8
72.01675	4.3
72.99311	59.4
73.02955	11.4
75.00871	40.5
79.64478	3.1
83.01380	16.5
85.02971	8.1
87.00881	43.4
89.02443	9.6
96.99341	6.2
97.02003	2.9
99.00894	54.3
100.98775	4.0
101.02447	11.6
103.00404	7.8
105.47019	3.4
107.24136	3.0
111.00888	21.2
112.98822	59.1
114.99576	6.6
115.00387	100.0
116.21902	2.9
117.01945	15.1
117.12977	3.2
124.98814	12.5
125.02383	3.5
127.00394	10.0
129.01945	19.3
129.14159	2.9
130.08743	8.0
133.01501	4.3
142.99878	26.3
145.01434	22.6
154.99850	11.3
173.00906	12.8
175.02457	9.1
187.02567	3.9
205.03502	4.3
217.32439	3.2
220.48457	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	205.0871
Annotation	3-Dimethylallyl-4-hydroxybenzoate
Peak:m/z	Relative Intensity
55.01877	0.3
55.26293	0.2
59.01378	4.5
61.98813	0.5
64.33426	0.2
65.00299	0.3
68.99818	0.3
71.00762	0.2
71.01382	4.1
71.05455	0.4
71.05831	0.3
72.99314	2.1
73.02946	0.6
75.00879	1.6
83.01393	0.6
85.02962	0.3
87.00893	1.9
89.02428	0.2
89.92595	0.2
91.01878	0.4
92.02699	0.2
93.03431	0.2
95.01407	0.5
96.99310	0.4
99.00891	2.0
101.02435	0.3
103.00388	0.3
108.02200	1.1
111.00883	0.7
115.00389	4.4
117.01936	0.9
117.39656	0.2
119.05077	0.4
120.02168	1.1
121.79651	0.2
123.00878	0.2
124.98803	0.7
125.02467	0.2
127.00379	0.6
129.01950	0.6
131.05023	0.6
132.05833	13.5
133.06062	0.9
135.00896	6.5
142.99869	1.1
145.01413	1.0
148.01680	3.1
149.02441	0.2
151.00424	0.2
153.01981	1.3
154.99854	0.9
161.02412	0.3
161.09740	19.3
162.01907	0.2
162.03230	0.6
162.10088	1.8
162.89343	0.7
164.07150	0.2
175.02493	0.5
177.01897	0.3
177.09248	0.3
180.00615	2.0
190.02672	0.3
205.08710	100.0
205.15952	2.1
206.09056	10.7
206.11063	0.3
206.16399	0.2
224.65622	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.0827
Annotation	L-Tryptophan
Peak:m/z	Relative Intensity
59.01386	1.4
70.66714	1.9
72.00909	24.1
74.02478	34.5
80.32413	0.5
85.86263	0.6
96.39863	0.6
97.90259	0.7
116.05077	100.0
117.05424	6.2
130.06656	2.8
132.08287	1.1
142.06638	25.6
143.07014	2.0
157.07715	1.4
158.07983	0.6
159.09293	20.0
160.09605	1.1
161.04800	1.1
186.05641	4.3
203.08272	89.3
204.08580	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	203.9999
Annotation	Unknow
Peak:m/z	Relative Intensity
56.44319	0.1
58.11393	0.1
59.01377	6.7
60.01713	2.4
60.94835	0.1
61.01804	0.9
61.98830	100.0
62.98539	0.3
66.29415	0.1
70.70890	0.3
71.01392	0.6
72.99335	0.3
73.02932	0.1
75.00882	0.3
83.01424	0.1
85.02962	0.1
87.00901	0.2
89.02499	0.1
99.00891	0.4
99.80325	0.1
111.00906	0.1
115.00379	0.7
117.02010	0.1
120.73587	0.1
124.98875	0.1
127.00382	0.2
129.01944	0.1
142.99887	0.2
145.01462	0.2
149.44688	0.1
154.99864	0.2
160.03729	0.2
161.01242	0.1
162.01663	0.2
175.02377	0.2
204.00043	1.2
204.02817	1.4
205.00089	0.1
205.02956	0.1
205.05051	0.1
205.15926	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.0354
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	8.3
57.03436	3.8
58.00578	3.4
58.02970	3.2
58.98635	1.4
59.01376	80.4
60.01736	1.9
60.99285	1.9
61.98824	7.6
62.40398	1.3
66.37816	1.3
67.01881	2.9
68.99815	11.8
70.14645	4.4
70.15038	2.9
71.01382	89.4
71.05031	4.2
72.01712	3.0
72.99311	42.9
73.02946	14.0
75.00876	37.6
75.01308	1.8
83.01391	14.1
85.02954	3.6
87.00880	50.2
88.98816	3.4
89.02454	7.0
94.68997	1.3
96.99338	8.6
98.00117	2.2
99.00275	2.8
99.00890	33.8
99.04512	3.5
100.98827	1.5
101.02451	13.8
103.00360	9.6
103.84710	1.6
105.01957	2.3
111.00893	21.4
111.69197	1.5
112.98825	26.0
115.00384	100.0
115.04044	2.4
116.00739	3.1
117.01964	12.7
118.03329	3.6
122.24540	1.2
124.98811	14.0
125.02456	21.2
127.00386	10.1
129.01953	17.4
130.02377	1.5
131.04623	1.5
132.03064	2.1
142.99878	28.5
143.03528	1.4
143.07173	6.4
145.01454	20.6
145.05113	7.0
145.06125	2.1
147.03003	2.7
154.99887	15.1
157.01405	3.6
159.03082	1.9
173.00903	7.1
175.02467	11.8
187.02492	1.5
187.06149	5.2
205.03513	10.5
205.07124	8.3
223.43607	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.0355
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	6.9
57.03455	3.9
58.02975	2.9
59.01381	74.3
60.99300	2.1
61.98832	34.8
68.99496	2.2
68.99825	10.8
69.46777	4.5
69.47182	12.0
70.86164	1.8
70.88753	2.0
71.01384	87.6
71.05030	8.5
72.01734	2.1
72.99307	52.2
73.02942	10.6
75.00876	42.3
76.60617	1.8
81.03500	2.6
83.01407	15.1
84.99315	2.3
85.02962	4.2
87.00888	57.2
88.98830	2.4
89.02462	6.6
96.99310	5.8
99.00891	40.8
99.04546	8.8
101.02455	15.4
103.00395	8.5
105.01943	10.1
111.00890	20.2
112.98840	20.6
115.00387	100.0
115.04047	2.6
116.00722	3.2
116.98309	6.1
117.00105	2.1
117.01963	15.2
118.03397	3.8
124.98835	16.0
125.02466	37.2
127.00394	12.2
129.01953	16.8
131.04652	2.1
132.03105	2.6
142.99889	23.2
145.01448	16.6
145.05075	4.1
154.99930	15.3
173.00969	6.9
175.02458	10.9
187.02457	4.8
187.06102	2.8
205.03558	16.7
205.07190	6.8
218.36754	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	203.0715
Annotation	Anofinic acid
Peak:m/z	Relative Intensity
57.14806	0.2
70.26359	0.4
70.26781	0.6
78.58026	0.2
91.01930	0.3
92.02673	0.2
117.03524	0.3
130.04253	0.6
132.02165	0.4
145.03003	0.6
146.03773	1.3
152.78441	0.2
159.08124	0.2
160.01686	6.9
161.02090	0.4
173.02458	0.6
174.03238	12.3
175.03568	0.9
203.07152	100.0
204.07478	11.0
204.09450	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.0712
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	6.4
61.98833	0.5
65.68050	0.2
68.99888	0.2
69.46628	0.4
69.47053	1.2
71.01385	0.6
74.35113	0.2
75.00904	0.3
89.23221	0.2
97.02975	0.2
99.00888	0.3
99.92583	0.2
99.98227	0.2
100.92587	0.2
103.92034	1.7
104.97758	0.5
112.98869	0.2
113.02493	0.2
117.03507	0.9
121.02960	0.3
124.77190	0.2
130.04265	2.7
130.94417	0.7
132.02226	1.0
142.93718	0.2
143.05064	0.5
145.02972	2.8
146.03740	2.2
148.95441	1.0
153.49127	0.2
157.06555	0.4
159.08159	2.7
160.01678	18.1
160.08533	0.2
160.89346	0.5
161.02145	1.6
161.89438	0.4
173.02454	5.8
174.03239	30.2
175.03590	2.8
175.07515	0.2
178.02730	0.7
202.94159	0.7
203.07152	100.0
204.07491	10.3
206.02106	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.0715
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34567	0.2
57.03442	0.1
59.01374	2.0
61.98843	0.2
65.21771	0.2
65.60256	0.2
69.77145	0.5
69.77557	0.6
71.01390	0.2
103.92042	0.7
104.97773	0.4
117.03459	0.4
117.92841	0.2
118.04247	0.1
121.02958	0.3
130.04231	1.3
130.94397	0.2
132.02194	2.1
133.02533	0.2
145.02966	1.6
146.03757	1.7
148.95421	0.5
159.08182	0.7
160.01674	33.7
160.89218	0.4
161.02005	2.4
173.02449	3.0
174.03232	20.3
175.03578	1.9
178.02722	0.5
181.99950	0.2
185.06161	0.3
187.03931	0.2
193.88889	0.2
202.94148	0.5
203.07144	100.0
204.07477	11.8
206.02171	0.3
222.73784	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.0715
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23521	0.3
57.25299	0.4
59.01379	0.7
68.14346	0.3
69.51535	1.3
69.51963	1.6
103.91984	0.4
117.03474	0.4
130.04260	1.6
132.02142	0.6
145.02968	1.3
146.03777	3.7
148.39494	0.4
155.83559	0.4
160.01678	15.7
161.02249	1.2
173.02448	1.2
174.03233	28.9
175.03560	1.7
191.51939	0.4
203.07149	100.0
204.07474	10.2
206.02225	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.0715
Annotation	3-Butylidene-7-hydroxyphthalide
Peak:m/z	Relative Intensity
59.01375	7.2
60.01691	0.3
61.98832	0.7
69.67610	2.1
71.01395	1.3
72.99316	0.3
81.03499	0.3
82.44221	0.3
85.50906	0.2
97.02953	0.3
98.20678	0.5
99.00896	0.4
103.92033	1.7
104.97779	0.6
113.02477	0.4
117.03490	2.5
121.02974	0.3
124.80860	0.2
125.02466	0.3
130.03279	0.5
130.04253	7.8
130.94379	0.9
131.03522	0.2
131.04486	0.2
131.05104	0.3
136.23413	0.3
143.05061	2.8
145.02953	6.8
146.03703	1.1
148.95433	1.1
156.05794	0.4
157.06630	1.2
158.07349	0.4
159.08160	8.8
160.01695	1.5
160.08524	0.9
160.89243	0.3
161.02466	0.9
161.06140	0.6
161.89407	0.3
173.02443	17.1
174.03223	50.5
175.03555	4.1
178.02747	1.5
202.94200	0.4
203.07140	100.0
204.07458	9.3
221.15341	0.3
224.00325	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.0715
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31912	0.2
52.38762	0.2
57.03437	0.2
59.01376	6.7
59.17995	0.2
61.98829	1.5
62.77581	0.2
63.97984	0.2
71.10658	0.6
75.00880	0.3
83.01391	0.2
103.92048	1.8
104.97765	1.3
116.05036	0.3
117.92873	0.6
130.04240	0.3
130.94412	0.7
131.05072	0.3
132.02188	4.1
145.02962	4.0
146.03484	0.3
148.95454	1.1
158.06142	0.3
159.08180	0.4
160.01671	58.3
160.89317	1.0
161.01993	4.1
161.89336	0.3
173.01122	0.3
173.02435	11.5
174.03229	16.5
175.03586	1.7
178.02762	0.7
187.04005	0.4
202.90335	0.3
202.94212	1.7
203.07140	100.0
204.03029	0.3
204.07483	10.4
223.89217	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.0715
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60870	0.1
59.01379	1.3
61.98830	0.4
63.79358	0.1
64.82346	0.1
70.92746	0.4
77.78934	0.1
78.32636	0.1
79.36813	0.1
92.02702	0.2
94.99324	0.1
103.92072	0.4
104.97753	0.4
108.55801	0.1
116.61094	0.1
117.03457	0.4
117.92869	0.2
118.04306	0.8
130.04247	0.2
130.94362	0.2
132.02197	4.5
133.02505	0.2
145.02968	2.1
146.03633	0.4
148.95438	0.2
159.08206	0.5
160.01674	63.8
161.02008	4.9
173.01237	0.1
173.02440	6.4
174.03230	10.5
175.03575	0.8
178.02711	0.3
182.15468	0.1
202.94093	0.4
203.07149	100.0
203.14378	1.2
204.07483	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	201.1134
Annotation	Sebacic acid
Peak:m/z	Relative Intensity
54.45930	0.3
57.03449	2.6
59.01380	9.7
61.98803	0.5
67.01885	1.2
68.01360	0.3
69.03455	1.2
71.01389	0.5
71.05016	1.5
71.33252	0.4
71.69047	0.3
72.99308	0.4
79.97717	0.4
81.03460	0.4
83.01403	0.4
83.05022	2.0
83.05492	0.3
84.02153	0.6
85.02976	2.9
87.00914	0.5
87.04526	1.7
95.05035	2.2
97.06605	14.9
98.06934	0.6
99.08165	10.9
99.92592	1.4
100.08517	0.6
103.04037	0.5
109.06612	0.8
115.07639	0.4
118.43159	0.4
125.06112	0.5
125.09621	0.4
127.11322	4.2
128.11546	0.4
135.08118	0.4
137.09718	1.8
139.03981	0.3
139.07640	0.6
139.10240	0.5
139.11305	7.5
140.11658	0.6
141.09134	0.5
141.93663	1.7
143.07153	1.7
144.07515	0.4
145.03038	0.4
155.10803	2.5
156.05811	0.4
157.06538	0.5
157.12399	0.4
159.89384	1.0
165.09186	0.9
173.06056	0.6
181.08728	2.2
183.08685	0.7
183.10278	10.9
184.10622	0.8
201.05638	1.6
201.11333	100.0
202.11684	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	201.1497
Annotation	11-Hydroxyundecanoic acid
Peak:m/z	Relative Intensity
57.03442	0.4
59.01379	16.6
61.98837	2.2
69.03444	1.0
69.07517	0.4
71.01403	0.5
71.57703	0.5
83.01349	0.4
85.02959	0.5
87.04535	0.8
88.98788	0.7
91.62119	0.3
95.01369	0.5
96.86229	0.4
99.92591	6.4
101.92509	0.9
106.92226	0.3
110.97021	0.7
113.02493	0.4
113.06136	0.4
116.39018	0.4
116.92883	7.2
121.91659	0.4
125.09691	0.7
127.11283	1.2
139.11279	1.1
141.93642	6.8
145.98270	0.4
155.14430	4.9
155.88791	0.4
158.89386	1.4
159.01556	0.5
159.89435	1.7
163.83943	0.4
164.83672	2.1
166.83389	0.7
173.06104	0.8
175.95441	0.5
183.10310	0.7
183.13925	1.7
199.13390	0.7
200.90445	0.8
201.02373	1.3
201.05650	2.3
201.11325	3.1
201.14978	100.0
201.80247	1.2
201.90450	0.5
201.95801	1.0
202.05168	0.6
202.15323	9.7
206.80640	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.0257
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16329	0.3
58.80512	0.2
58.96978	0.2
59.01379	100.0
60.01711	1.4
70.96941	0.6
92.04591	0.2
93.38200	0.2
115.20043	0.2
147.51692	0.3
157.03581	5.3
158.03709	0.6
159.01523	3.1
160.01622	0.3
201.02563	18.5
202.02710	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	201.0559
Annotation	2,2',3-Trihydroxybiphenyl
Peak:m/z	Relative Intensity
52.44957	0.2
57.03418	0.2
59.01378	9.3
61.98832	1.3
67.01906	0.3
67.89495	0.2
69.03465	0.4
70.74945	0.5
70.75339	0.7
71.05045	0.2
72.99303	0.3
81.03478	0.7
85.02944	0.3
85.10194	0.2
87.04496	0.5
89.03992	0.3
91.01892	2.6
93.03455	0.5
95.01412	0.6
98.06979	0.2
99.92596	4.7
101.92530	0.3
108.02187	0.2
115.05527	0.8
116.92886	1.7
117.03449	0.4
119.01390	0.3
125.09784	0.3
128.06322	0.7
129.07117	1.5
130.04257	0.7
131.04979	0.3
132.02188	1.0
139.07675	0.2
139.11314	1.4
140.52679	0.2
141.93637	4.7
145.02972	0.8
145.06595	0.8
154.73332	0.2
155.05016	0.5
156.05827	3.0
157.06606	4.2
158.03772	2.1
158.06947	0.4
158.89322	0.9
159.01566	0.3
159.04286	0.3
159.89415	1.1
160.01680	16.5
161.02078	1.4
164.83624	3.7
166.83340	0.9
171.04506	0.5
173.02484	0.3
173.06079	3.5
174.03242	6.7
175.04013	1.2
182.03786	0.4
183.04512	3.7
183.10300	0.8
184.05211	0.8
185.02460	5.8
186.03212	4.3
186.06955	0.3
199.04012	0.4
200.04787	5.5
200.80623	0.2
201.05580	100.0
201.11122	2.2
201.80234	2.6
201.95744	0.3
202.05931	9.6
202.11771	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	200.0566
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	2.6
59.01380	40.1
61.98832	100.0
66.03485	0.9
69.03460	1.2
70.02976	2.9
70.99603	1.1
71.01381	7.0
71.69558	1.2
72.04535	2.3
72.99311	3.3
73.02944	1.2
75.00878	2.1
80.05087	1.0
82.03011	3.9
82.06626	2.6
83.05035	2.3
84.04561	4.3
84.08202	1.8
85.02963	2.1
86.02484	1.6
87.00892	1.6
87.04540	1.2
87.92524	1.5
88.04046	17.9
92.05063	2.9
94.06620	1.7
95.01337	0.8
95.05037	7.5
96.00975	0.9
96.04558	4.4
97.01707	1.1
97.02928	1.3
97.62764	0.8
98.02495	12.5
98.06081	1.1
99.00903	1.3
99.04539	0.8
99.92573	3.5
101.02399	0.9
103.92060	5.0
104.13279	0.8
106.43215	0.7
107.04832	0.8
108.04567	7.0
110.02489	20.6
110.06129	41.2
111.00867	1.2
111.04537	3.2
111.06473	2.3
112.04075	9.2
112.07693	6.3
114.02021	1.0
115.47623	0.8
115.92075	1.6
119.36624	0.7
123.03279	3.0
123.94633	3.5
124.04072	4.7
125.09653	0.9
126.05631	5.6
126.66867	0.9
128.03549	0.8
128.07191	28.2
129.01955	1.3
129.07526	1.0
132.02113	0.8
136.04039	6.4
138.05646	14.3
139.07675	0.9
139.11301	0.8
140.03494	0.9
140.10884	1.0
145.96721	1.3
154.05121	22.0
155.03516	3.8
155.05447	1.2
155.95277	1.6
156.05461	1.6
156.06679	18.5
156.11214	1.1
157.03549	1.6
157.06866	1.0
157.13490	4.9
158.00113	1.3
158.99689	1.0
159.01483	2.1
162.83929	13.3
164.83635	10.0
168.03030	1.2
172.01662	1.2
172.06160	2.7
173.01129	1.0
174.03203	8.8
175.02744	6.4
182.04588	33.7
183.04947	2.8
199.80499	12.4
199.84998	6.1
199.94185	2.5
200.01425	5.2
200.05656	91.6
200.97006	0.9
201.00716	3.3
201.02522	6.1
201.05888	7.1
201.12546	20.6
218.42041	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.134
Annotation	(-)-NFX 2
Peak:m/z	Relative Intensity
55.01871	1.8
57.03445	73.8
58.03765	2.7
59.01383	8.0
61.98829	30.3
65.00315	3.3
67.01886	4.7
69.03453	4.8
71.01377	3.4
71.05017	6.1
71.36637	3.2
72.99313	1.9
73.02945	5.2
83.01402	6.0
83.05021	3.7
85.02940	3.5
92.99825	5.5
95.05053	1.8
97.93138	2.1
99.00877	8.3
99.08224	2.9
99.92609	5.1
111.00890	10.0
111.04465	2.0
111.08134	1.6
113.02455	7.6
114.38229	1.6
114.93433	3.8
115.92088	2.3
116.92850	6.2
117.01942	2.5
125.02477	2.3
127.00394	6.2
127.04027	4.8
127.11288	6.8
136.98824	3.4
137.06139	1.8
137.09737	4.2
139.11397	3.1
139.94212	2.7
141.12878	3.6
153.12866	6.6
154.99878	3.9
155.10805	34.7
155.14430	66.0
155.19266	1.5
156.11221	2.7
156.14816	7.4
156.89467	13.1
162.83939	29.0
164.83626	28.7
169.16010	3.5
171.13911	1.7
180.97827	3.0
181.01370	2.5
192.61913	1.6
198.90683	9.4
198.98845	3.8
199.04179	1.5
199.06079	4.4
199.09790	14.6
199.13402	100.0
199.17059	19.3
199.80479	27.6
199.85072	3.7
199.96378	1.7
200.03516	1.7
200.13823	11.9
200.17351	1.7
204.71040	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	199.0977
Annotation	2-Hydroxycampholonic acid
Peak:m/z	Relative Intensity
51.21781	0.2
57.03447	0.5
58.00607	0.3
59.01377	0.9
61.98845	1.1
67.01888	0.3
67.22253	0.2
69.03442	0.3
69.89619	1.7
71.01388	0.6
71.05015	0.5
73.02969	1.3
81.03470	0.3
83.05041	0.7
85.02974	0.4
99.00889	0.8
111.00894	0.6
113.02464	1.0
125.52178	0.2
127.04039	0.7
135.08170	0.8
137.09743	6.5
138.10094	0.7
155.10794	100.0
156.11131	8.3
156.89484	0.8
162.83926	2.2
164.83656	2.3
181.08598	0.5
199.02481	0.4
199.09763	12.1
199.13400	2.1
199.17055	1.8
199.80524	2.6
200.10124	1.0
211.73810	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.0977
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	0.5
59.01383	2.2
61.98832	1.8
65.00327	0.4
67.01906	0.4
69.03477	0.5
69.36668	3.3
71.01406	0.6
71.05021	0.8
73.02982	0.4
74.88540	0.3
78.91853	0.4
81.46786	0.3
83.01417	0.5
83.05051	1.3
85.02974	0.7
87.93656	0.3
92.99857	0.3
93.03477	0.3
99.00869	1.9
99.08190	0.8
99.92572	0.5
111.00917	1.0
111.08169	0.5
113.02457	1.1
116.92880	0.6
117.01949	0.3
125.09824	0.3
127.00414	0.5
127.04002	0.6
136.98816	0.5
137.09740	6.4
154.13074	0.4
154.99965	0.5
155.10797	100.0
156.11148	7.2
156.89467	1.1
157.08711	0.7
162.83937	5.2
163.83940	0.3
164.83620	4.6
181.08708	1.2
198.90643	0.5
199.02446	0.5
199.06038	0.6
199.09764	12.9
199.13445	3.1
199.17029	2.9
199.80496	4.4
200.10059	1.2
200.13799	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.134
Annotation	UNII-UOM92D5748
Peak:m/z	Relative Intensity
50.09485	0.3
52.69251	0.3
57.03436	0.6
59.01373	1.4
61.98835	3.5
65.00334	0.5
67.01890	0.6
67.35246	0.3
69.03437	0.3
70.98592	0.9
71.01388	0.5
71.05019	0.8
73.02949	1.1
75.37225	0.3
75.85183	0.3
79.85539	0.3
83.01394	1.0
83.05049	0.6
85.02950	0.8
87.00885	0.4
92.99804	0.4
97.06590	0.4
99.00880	3.1
99.08185	1.5
99.92589	0.7
101.02467	0.3
109.02967	0.5
111.00893	1.3
111.04499	0.4
111.08183	0.5
113.02462	1.0
116.92851	0.9
127.00411	0.6
127.04003	0.7
136.98810	0.5
137.09735	1.1
153.12903	0.6
154.99960	0.5
155.10794	8.1
156.89479	1.6
162.83932	9.9
162.85330	0.5
163.11311	1.0
163.83957	0.6
164.82280	0.6
164.83621	9.3
169.12354	4.3
180.97838	0.4
181.08890	0.6
181.12350	18.7
182.12669	1.7
197.11884	1.8
198.80881	0.5
198.90733	0.8
198.98924	0.4
199.09799	2.8
199.13402	100.0
199.17120	3.0
199.80489	10.0
199.85069	0.5
200.13733	9.0
200.17375	0.3
218.35840	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1183
Annotation	(-)-Hydroxydihydrobovolide
Peak:m/z	Relative Intensity
59.01362	0.4
61.98835	1.2
69.97614	0.4
70.09782	2.1
71.05005	0.9
78.48447	0.4
81.07112	0.4
84.02147	0.4
96.96030	0.5
97.06592	12.4
98.06938	0.7
99.08162	3.4
99.32689	0.4
99.70134	0.4
111.08183	0.7
116.92884	0.7
117.21536	0.4
122.03751	2.0
123.00867	0.4
125.02424	0.8
125.09729	0.8
126.03231	0.9
126.90555	1.2
135.11816	0.4
137.09740	1.6
138.03230	0.4
147.51135	0.3
151.11360	0.8
153.12863	100.0
154.13193	7.2
160.84239	4.7
162.83932	13.9
166.99866	0.8
171.40268	0.4
179.10789	21.3
180.11118	2.2
182.02182	1.9
197.02040	0.6
197.04671	0.4
197.11813	9.8
197.80797	9.3
198.12167	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1548
Annotation	cis-5-dodecenoic acid
Peak:m/z	Relative Intensity
53.59725	0.2
55.01864	0.7
59.01371	0.6
60.00965	0.2
61.98835	0.6
65.00333	0.3
68.99821	6.7
70.00211	0.2
70.34896	0.2
71.01376	0.2
71.41979	0.4
77.88419	0.2
84.02167	0.2
85.02942	0.3
96.96023	0.2
97.02946	0.2
109.02972	0.3
110.02507	0.3
116.92875	0.6
121.02918	0.2
123.00903	0.8
124.51973	0.2
125.02456	0.3
126.90501	1.3
128.48146	0.2
130.99294	0.2
132.04961	0.2
138.03223	0.3
151.14906	0.5
153.01903	0.2
153.05591	0.2
153.09250	0.2
153.12834	0.5
160.84219	1.4
162.83936	4.3
166.99904	0.6
167.14423	0.8
169.47279	0.2
178.99907	0.3
182.02237	1.5
195.14005	0.3
196.89438	0.4
196.91087	0.3
197.00838	0.2
197.04561	0.8
197.15480	100.0
197.80815	3.0
198.00453	0.2
198.15817	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	197.1547
Annotation	cis-5-dodecenoic acid
Peak:m/z	Relative Intensity
52.32149	0.4
55.45168	0.4
59.01372	0.7
70.23814	1.0
70.24226	1.7
77.40070	0.4
81.15301	0.4
102.95420	0.5
123.00937	0.7
126.90481	1.0
162.83861	0.6
168.04918	0.5
182.02286	0.7
197.15475	100.0
198.15820	11.1
217.58261	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0507
Annotation	Isoferulic acid
Peak:m/z	Relative Intensity
51.44878	0.2
60.43139	0.2
65.00308	0.3
65.03954	0.6
71.70550	0.3
74.92399	0.2
77.07749	0.2
79.05525	0.6
81.03465	0.2
93.03446	0.2
105.07108	5.7
106.07420	0.2
107.01379	0.9
107.05042	5.6
108.05360	0.4
113.82825	0.2
121.06560	0.3
130.04236	0.6
131.05058	3.6
132.05350	0.3
134.03741	0.4
147.04538	0.9
147.83629	0.2
149.02478	2.3
149.06094	17.4
150.06438	1.6
151.04102	0.2
160.01675	0.7
175.04019	3.6
176.04314	0.6
192.32387	0.3
193.05061	100.0
194.05399	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	193.0507
Annotation	Scytalone
Peak:m/z	Relative Intensity
59.01372	0.4
60.94862	0.2
65.03972	0.5
67.01896	0.4
70.62988	0.7
73.02931	0.3
79.05536	0.6
81.03451	0.2
85.02980	0.3
89.43390	0.2
93.03481	0.4
105.03481	0.3
105.07114	6.1
106.07395	0.2
107.01389	0.8
107.04319	0.3
107.05045	5.5
108.05389	0.3
121.02950	0.3
121.06577	0.2
121.11632	0.2
121.74451	0.2
130.04272	0.5
131.05043	3.1
134.03740	2.1
137.02477	0.3
147.04492	0.7
149.02498	1.9
149.06094	17.3
150.06430	1.4
160.01704	1.0
161.04549	0.4
175.04028	4.1
176.04385	0.5
178.02731	1.7
193.05061	100.0
194.05396	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	193.0507
Annotation	trans-4-Hydroxy-3-methoxycinnamate
Peak:m/z	Relative Intensity
57.92975	0.3
59.01372	0.9
63.08990	0.4
69.41763	3.0
69.42168	0.7
71.01375	0.8
73.02960	0.8
85.02981	0.5
87.00884	0.6
89.03973	2.6
90.02162	0.3
99.00945	0.4
101.02451	0.5
104.04591	0.3
105.07109	1.7
106.04294	1.0
107.05048	3.0
117.03493	4.2
121.02978	1.0
131.05052	1.3
133.02980	1.3
134.03757	100.0
135.04097	6.7
137.02429	4.0
139.04028	1.3
139.70926	0.4
149.02483	0.9
149.06097	14.2
150.06468	0.8
160.01633	0.7
161.04597	1.0
175.04016	1.8
178.02719	12.0
179.03088	1.1
183.89517	0.3
193.05081	57.3
194.05449	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	193.0506
Annotation	4-Hydroxy-3-methoxycinnamic acid
Peak:m/z	Relative Intensity
57.76266	0.1
59.01377	0.1
60.71392	0.1
70.23334	0.3
71.01393	0.2
74.32932	0.1
74.58273	0.1
85.02976	0.1
89.03975	4.6
90.04302	0.1
98.20586	0.1
99.00903	0.1
101.02496	0.1
106.04254	1.0
107.05119	0.1
113.02535	0.1
117.03477	10.3
118.03829	0.6
119.05066	0.1
120.54394	0.1
121.02949	0.1
133.03015	0.1
134.03755	100.0
135.04088	6.3
136.01768	0.1
137.02475	0.4
139.03996	0.1
149.06096	4.0
150.03307	0.1
150.06416	0.3
161.04533	0.1
178.02702	0.9
193.05063	12.6
194.05412	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0508
Annotation	trans-4-Hydroxy-3-methoxycinnamate
Peak:m/z	Relative Intensity
59.89159	0.2
61.18911	0.2
69.94446	0.3
71.01398	0.4
71.71602	0.4
73.02976	0.3
85.02963	0.3
87.32041	0.3
89.04001	0.9
93.03486	1.0
97.90913	0.2
99.00873	0.3
101.02469	0.4
106.04263	1.6
108.02163	0.2
109.02982	0.3
111.00893	0.6
117.03467	2.1
121.02952	2.7
133.02979	4.9
134.03758	100.0
135.04091	7.6
136.48978	0.2
137.02458	17.1
138.02811	1.0
138.61449	0.2
139.03049	0.5
139.04034	5.6
149.02449	0.6
149.06097	21.5
150.03287	1.6
150.06479	1.7
151.03615	0.2
161.04530	0.3
165.01956	0.4
178.02725	59.1
179.03067	4.6
193.05063	32.5
194.05418	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	193.0507
Annotation	Unknow
Peak:m/z	Relative Intensity
53.69153	0.4
59.01376	0.6
63.19443	0.3
65.00346	0.4
68.41040	0.3
69.03488	0.4
69.47917	3.5
79.05557	0.5
85.02939	0.5
89.03979	2.7
93.03464	0.6
101.02464	0.5
105.07101	4.7
106.04283	0.5
107.01386	0.6
107.05045	4.2
108.04578	0.4
109.02943	0.4
117.03474	6.2
118.03802	0.5
121.02972	1.4
131.05008	2.7
133.02968	2.0
134.03760	93.3
135.04105	6.4
137.02475	6.5
138.02800	0.6
139.04091	2.1
147.04570	0.7
149.02541	2.3
149.06102	25.1
150.03236	0.9
150.06459	1.5
160.01721	0.7
161.04631	0.4
175.04024	3.1
178.02721	22.5
179.03050	1.2
193.05066	100.0
194.05406	9.2
195.87172	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0507
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51520	0.5
59.01385	0.9
69.35960	2.2
69.36390	3.2
72.99287	0.6
93.03477	1.0
106.04276	1.7
107.05046	0.8
109.02985	0.5
111.00912	0.7
117.03511	0.6
121.02998	2.7
133.02965	5.5
134.03758	100.0
135.04086	6.6
137.02458	16.4
138.02849	1.1
139.04024	6.1
149.02489	1.0
149.06097	23.9
150.03258	2.0
150.06464	2.1
156.74413	0.4
161.04614	0.5
165.01967	0.6
174.45216	0.5
178.02728	61.3
179.03038	5.1
192.99588	0.8
193.05061	40.0
194.05367	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	191.0199
Annotation	Unknow
Peak:m/z	Relative Intensity
55.03523	0.7
56.15396	0.6
57.03452	7.3
59.01373	1.8
67.01884	3.2
67.77522	0.8
69.47714	6.2
69.48040	1.3
71.01379	1.3
85.02958	28.3
86.03339	0.7
87.00882	49.2
88.01215	1.1
111.00893	100.0
112.01227	4.1
113.47733	0.7
129.01939	6.7
130.99910	1.0
166.79901	0.7
173.00916	2.2
191.01994	14.3
191.05579	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	191.0199
Annotation	Citric acid
Peak:m/z	Relative Intensity
57.03448	5.3
59.01378	7.0
67.01571	0.4
67.01882	2.2
70.98768	1.1
71.01388	1.0
72.99332	0.4
73.02964	0.8
83.01424	0.6
85.02958	29.9
86.03307	0.9
87.00885	45.9
88.01244	1.0
93.03500	1.0
99.04556	0.4
101.02446	0.8
109.02969	0.5
109.04827	0.4
111.00897	100.0
112.01231	4.4
129.01958	5.3
130.99895	0.8
131.03526	0.7
132.65868	0.4
135.28539	0.4
147.03017	0.7
154.99852	0.5
155.60051	0.5
172.46710	0.3
173.00963	2.1
176.01181	1.6
184.86566	0.3
191.01994	14.5
191.05627	18.1
192.02333	1.2
192.05991	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0562
Annotation	2D-5-O-Methyl-2,3,5/4,6-pentahydroxycyclohexanone
Peak:m/z	Relative Intensity
51.89707	0.3
55.01896	0.3
57.03448	5.9
59.01377	4.7
67.01889	2.3
69.03454	0.7
71.01388	7.1
71.02451	0.7
71.02776	0.3
72.01757	0.3
72.99315	1.1
73.02957	3.7
80.55956	0.4
81.03493	0.7
83.01396	1.1
83.05049	0.6
85.02961	39.4
86.03304	1.0
87.00884	38.3
88.01241	0.8
93.03468	7.1
94.03795	0.3
98.37628	0.3
99.00851	1.5
99.04509	1.0
101.02454	1.3
109.02984	1.5
110.41096	0.3
111.00896	64.1
111.04488	2.0
112.01247	3.1
112.98817	2.8
115.00381	5.4
117.01949	4.0
127.04041	3.9
129.01970	5.5
130.02342	0.4
130.99915	0.4
133.01445	3.2
147.03006	0.4
148.95015	0.6
154.99857	0.5
171.03015	1.2
173.00932	1.2
173.04556	2.0
191.02052	9.4
191.05635	100.0
192.02373	0.5
192.05971	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	191.0563
Annotation	Unknow
Peak:m/z	Relative Intensity
55.47833	0.5
57.03434	2.3
59.01373	3.1
67.01891	1.6
67.11765	0.6
69.03482	0.7
70.75079	1.3
70.75428	0.8
71.01402	3.9
73.02950	0.8
81.03453	1.0
85.02956	27.9
86.03289	0.7
87.00890	16.7
93.03471	6.3
99.04552	0.6
109.02956	1.7
111.00891	25.1
111.04560	1.8
112.01250	1.1
115.00401	5.3
116.26804	0.7
127.04039	4.8
129.01935	1.8
130.13414	0.6
133.01436	2.4
144.86172	0.6
148.95016	1.0
157.61186	0.6
171.02968	0.9
173.04582	2.1
175.49654	0.7
182.23116	0.6
183.54289	0.5
186.64050	0.6
191.02121	2.7
191.05626	100.0
192.05980	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	191.1079
Annotation	Ibufenac
Peak:m/z	Relative Intensity
51.77176	0.6
55.12986	0.6
56.96523	0.6
57.03449	3.6
59.01378	48.4
61.98830	2.5
67.01879	0.8
69.83228	4.6
71.01376	1.9
71.29757	0.6
72.99287	0.8
73.02934	3.3
81.03477	1.1
83.01383	1.8
83.05017	4.5
85.02952	18.3
85.45932	0.7
86.03306	0.7
87.00883	20.4
87.13100	0.6
89.64663	0.7
93.03465	2.7
99.04572	0.6
101.02450	1.3
103.04010	0.7
104.02695	2.0
106.86709	0.7
108.01060	0.6
111.00893	44.6
112.01218	1.9
113.02473	1.3
117.07090	1.6
118.99321	2.4
119.05041	3.5
121.02970	6.9
127.04004	0.9
129.01947	2.9
131.03513	2.7
133.02966	6.0
141.01891	0.8
145.10245	1.6
145.86261	3.3
147.00867	0.9
147.04517	2.7
148.01662	2.4
149.02330	0.6
159.08092	0.9
161.09734	72.7
162.10098	7.5
163.00414	1.5
163.04051	0.8
163.11290	5.4
163.87268	1.4
173.00856	1.6
176.01157	13.2
176.83501	0.6
177.01701	1.0
189.09225	69.6
190.09579	7.1
191.00008	1.2
191.01941	4.8
191.03564	6.3
191.05615	27.8
191.07138	2.5
191.10782	100.0
192.02840	0.9
192.06470	3.5
192.11148	10.8
206.84027	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.0355
Annotation	Kynurenic acid
Peak:m/z	Relative Intensity
50.87442	0.2
59.01381	1.5
61.98828	0.3
71.25745	0.1
71.59025	0.3
73.02950	0.6
78.84574	0.1
83.01398	0.6
83.05021	0.5
85.06600	0.2
99.00840	0.4
101.43578	0.2
102.03522	0.6
111.04528	0.5
116.05087	0.2
127.00398	1.2
127.07670	3.9
129.05602	4.9
131.09950	0.2
141.86818	0.4
144.04576	100.0
145.04922	7.2
159.03305	0.4
159.87886	0.3
171.06636	0.5
188.03568	4.1
189.00482	0.4
189.03954	0.4
189.07726	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	188.1116
Annotation	8-Methylthiooctanaldoxime
Peak:m/z	Relative Intensity
50.01065	0.5
52.69527	0.5
57.03441	0.9
59.01381	5.0
60.97538	2.9
61.19688	0.5
61.98831	11.5
63.96243	0.5
69.52209	5.3
71.01389	1.3
72.99316	0.9
73.02949	6.0
83.01385	7.1
84.55837	0.5
85.06601	2.1
87.92535	1.6
98.20712	1.2
99.00901	4.2
99.92622	1.1
100.07693	3.5
101.02466	0.6
103.91994	0.6
113.84255	0.6
115.92082	1.2
117.03452	1.4
123.94682	1.2
124.11311	1.3
124.89126	0.6
126.10094	1.2
126.12901	13.3
127.00391	9.5
127.13265	1.2
141.86836	28.5
142.13210	1.2
142.99854	0.8
144.04567	2.5
145.02998	1.2
145.06602	0.9
159.87878	23.2
160.04126	0.6
160.11664	8.6
160.45859	0.6
161.02498	2.1
161.06078	0.6
161.12088	0.6
170.11856	4.6
170.89035	0.9
185.82968	0.6
187.86157	3.8
188.03590	1.6
188.11168	100.0
188.13657	17.2
188.89967	1.0
189.00438	3.9
189.01961	2.8
189.05614	2.3
189.09232	1.1
189.11487	9.7
189.13164	0.7
189.14043	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0199
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39658	0.3
57.03448	5.4
59.01379	4.6
67.01887	3.0
69.03452	0.7
71.01384	7.4
71.32217	0.7
72.99309	1.0
73.02955	3.6
75.00855	0.4
81.03471	0.7
83.01398	1.1
83.05034	0.8
83.08273	0.4
85.02955	35.6
86.03292	0.8
87.00882	37.3
88.01235	1.2
88.50893	0.4
89.02489	0.4
93.03467	6.4
99.00881	1.6
99.04524	0.7
101.02468	1.3
109.02975	1.7
111.00893	59.3
111.04478	2.0
112.01234	2.1
112.98816	2.9
113.99127	0.5
115.00391	5.3
117.01965	5.7
117.15846	0.4
127.04037	4.2
129.01953	4.8
130.02318	0.4
130.99899	0.5
133.01456	3.8
139.73924	0.4
141.01814	0.3
147.02982	0.5
148.94974	0.5
163.72777	0.3
167.85501	0.3
171.03059	1.0
173.00905	1.6
173.04526	1.8
188.70653	0.4
191.02031	9.0
191.05621	100.0
192.02171	0.4
192.05983	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	187.025
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00310	2.4
55.01875	5.3
57.03440	1.3
59.01378	8.9
59.97888	0.5
60.99304	0.7
61.04371	0.4
61.98830	7.6
65.00327	3.3
67.01865	0.5
68.99825	1.2
69.03449	0.8
69.76259	3.7
71.01382	11.4
71.05033	1.5
72.01720	0.6
72.99299	1.0
73.02950	0.5
75.00892	1.1
75.37814	0.4
77.72910	0.4
78.95908	1.6
79.99036	0.9
80.99812	3.5
81.03492	0.5
83.01399	9.9
83.05014	0.9
85.02961	0.8
86.33153	0.4
87.00877	1.0
87.92541	1.8
88.98804	1.0
95.05035	1.0
96.24768	0.5
96.99339	1.8
97.02909	0.6
97.06604	7.3
98.00104	1.4
98.06937	0.5
98.20640	1.0
98.89894	1.1
99.00889	100.0
99.08153	1.1
99.92581	1.0
100.01233	3.3
100.98831	2.4
103.92070	0.6
108.99335	1.0
111.00917	3.3
112.03992	0.6
112.98817	1.0
113.02479	1.0
113.04445	0.7
113.06017	0.7
115.04008	2.3
115.07656	1.2
115.17078	0.5
122.89452	1.8
123.08186	1.0
123.94665	1.0
124.98837	1.7
125.06102	8.5
125.09735	9.8
125.99589	1.8
126.10072	0.8
127.00390	17.7
127.97492	0.5
128.00735	0.9
129.01935	1.8
136.98828	8.4
141.01978	2.0
141.86836	18.9
142.89342	0.7
143.07147	12.5
144.04568	16.6
154.99873	3.6
157.01537	0.5
159.04478	1.3
159.87881	14.7
160.04091	0.6
168.88947	1.5
169.01442	7.2
169.05093	2.0
173.00923	5.7
184.39026	0.5
186.85495	0.7
186.89923	1.6
186.95676	0.8
187.00851	0.8
187.02530	11.6
187.04108	1.3
187.06149	9.7
187.07822	1.1
187.09703	7.5
187.13420	1.6
187.86095	2.2
188.03439	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	187.1341
Annotation	3-Hydroxydecanoic acid
Peak:m/z	Relative Intensity
53.08529	0.3
57.25111	0.2
59.01377	100.0
60.01704	2.0
60.99314	0.6
61.98829	6.8
70.72334	0.9
71.01395	0.7
71.05000	0.3
77.95444	0.2
85.02965	0.4
87.92525	0.8
91.55702	0.3
97.06598	1.0
99.00883	0.3
99.92599	0.8
110.28642	0.3
117.39663	0.3
122.89443	1.4
123.08162	0.5
123.94650	0.5
125.06142	0.5
125.09740	8.0
126.10137	0.4
141.12872	0.3
141.86829	14.5
143.07153	0.3
144.04587	1.1
147.11052	0.3
159.04538	0.4
159.87889	11.1
168.88914	0.9
169.08643	0.3
186.36678	0.3
186.89905	0.5
186.95657	0.4
187.04031	0.6
187.07841	0.7
187.09772	4.8
187.13406	16.5
187.86093	2.1
188.03461	1.4
188.10039	0.6
188.13777	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	185.1184
Annotation	3-Oxodecanoate
Peak:m/z	Relative Intensity
55.01873	1.8
57.03445	100.0
58.03782	1.9
59.01367	5.9
61.98823	3.6
68.99809	2.8
69.03447	8.1
69.72971	1.6
71.57603	2.2
73.02933	2.1
85.02966	1.5
95.01379	1.9
96.99277	1.6
97.02957	6.0
97.06607	3.0
112.00416	1.5
112.98820	8.4
113.02433	2.1
113.09752	7.5
120.27107	1.6
123.08179	5.9
125.09726	5.6
127.11319	4.7
139.11301	6.5
139.87317	5.9
141.01973	2.1
141.09256	12.6
141.12874	77.3
142.06622	4.7
142.13216	6.8
144.06715	2.0
157.12358	3.5
157.88330	3.9
175.07497	1.7
185.00919	3.0
185.02373	2.5
185.04593	2.0
185.08299	4.0
185.11841	96.0
185.15434	5.3
186.01883	2.9
186.07825	1.9
186.12320	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	185.1184
Annotation	Epomediol
Peak:m/z	Relative Intensity
51.52921	0.3
55.49588	0.3
59.01134	0.3
59.01386	2.4
71.32705	0.7
74.60212	0.3
78.61562	0.4
83.05027	0.8
84.33820	0.4
89.53535	0.3
117.12959	0.3
125.09721	0.9
139.11357	1.6
139.87254	0.4
141.09215	1.0
149.09769	1.7
155.10794	31.2
156.11098	2.3
167.10785	26.3
168.11131	2.7
177.68558	0.3
183.10251	0.4
185.11835	100.0
186.12193	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	185.1184
Annotation	Epomediol
Peak:m/z	Relative Intensity
52.74202	0.9
57.03436	2.3
59.01377	31.3
61.86090	0.8
61.98825	2.1
67.01868	0.9
68.82269	0.7
68.99818	1.7
69.03464	1.9
70.89140	2.2
71.01392	5.4
71.05022	8.5
76.95683	0.9
78.95924	1.7
83.05008	1.7
85.02972	1.0
86.95261	0.8
87.00904	1.2
96.01030	0.8
97.02951	1.6
97.06597	3.6
98.20514	1.0
99.00868	1.0
99.92579	1.5
100.04063	1.5
101.56713	0.8
110.98516	1.0
111.04494	1.2
111.08179	1.6
112.98821	3.8
113.02405	1.4
113.06133	0.8
113.09703	1.0
115.04021	82.8
116.04354	2.9
123.00877	1.0
123.08190	4.7
125.02468	1.9
125.09754	2.5
139.11314	2.1
139.87225	2.1
141.09244	10.5
142.06647	2.0
142.09634	1.4
144.06650	1.1
145.51056	0.9
155.10802	2.1
157.88335	3.2
167.10779	16.1
168.11162	2.7
183.10301	2.6
185.00940	1.8
185.04642	1.5
185.08250	3.9
185.11836	100.0
186.07744	1.2
186.12288	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	187.0099
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	0.6
59.01376	74.8
60.01699	1.2
61.98832	3.8
69.03464	0.7
69.62797	4.5
71.01368	1.2
74.99388	0.8
76.34865	0.5
90.68345	0.6
90.97159	1.5
97.06612	1.5
99.00919	0.7
114.98884	1.4
115.02528	2.9
117.00448	9.4
118.00584	0.6
125.09743	12.3
132.98210	1.0
138.13899	0.6
141.86830	4.6
142.89352	1.7
143.02049	1.0
144.99924	1.7
154.90395	0.7
158.03740	0.7
159.01509	100.0
159.87866	3.9
160.01663	12.1
168.89059	0.9
171.11099	0.6
186.89874	0.8
186.95535	1.1
187.00990	13.7
187.04005	2.2
187.06160	0.7
187.07684	2.3
187.09775	7.3
187.11548	0.9
187.13371	3.2
188.00720	2.4
188.03519	0.9
206.45741	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.1184
Annotation	Epomediol
Peak:m/z	Relative Intensity
57.03439	1.1
59.01370	3.9
61.98834	1.2
67.01875	0.5
68.99815	1.0
69.03454	0.8
69.71065	1.9
69.71484	1.5
71.01399	1.0
71.05016	2.8
72.99321	0.7
73.02934	0.6
77.24252	0.5
78.95913	1.0
83.05048	1.1
85.02957	0.8
85.06558	0.6
95.05010	0.9
97.02948	1.1
97.06590	2.2
99.92599	0.9
100.04035	1.3
108.02235	0.4
110.98525	0.6
111.08138	0.4
112.98825	1.5
113.02434	1.0
113.06097	3.4
116.31494	0.5
117.69671	0.5
119.60966	0.4
123.00876	0.8
123.08179	1.9
125.09718	1.8
126.05675	0.5
127.23499	0.5
133.53969	0.5
137.09729	0.6
139.11296	10.2
139.87299	1.2
140.11708	0.8
140.89674	0.7
141.09215	6.0
141.12851	0.6
142.06656	1.2
142.08702	0.7
144.06621	0.6
149.09740	0.7
155.01060	0.6
155.10773	7.1
156.11113	0.6
157.88350	0.7
167.10771	15.0
168.11076	1.7
185.01004	2.5
185.02322	0.7
185.08466	2.7
185.11827	100.0
185.15392	2.2
186.05588	0.5
186.12241	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	185.1184
Annotation	MKN-004C
Peak:m/z	Relative Intensity
57.03450	9.6
59.01378	13.3
61.98821	2.7
68.99799	2.5
69.03461	6.1
71.01385	6.4
71.05025	26.0
71.31285	1.9
71.31605	2.5
71.83506	1.7
72.99310	1.8
78.95909	2.3
81.03451	1.9
83.05032	6.3
85.02938	2.4
85.06598	1.8
95.01424	2.3
96.96903	2.3
96.99274	1.7
97.02945	4.0
97.06612	4.9
99.00889	4.6
99.04537	2.0
99.92580	2.4
100.04044	2.4
111.08169	3.1
112.98809	5.4
113.02456	2.8
113.09741	84.4
114.10070	6.5
115.07641	2.0
123.00915	2.4
123.08185	4.9
125.09721	5.6
126.76070	1.8
130.74461	1.8
139.11299	36.4
139.87305	5.3
140.11673	2.2
141.05626	1.8
141.09241	17.1
141.12874	87.8
141.31049	1.6
142.06625	5.8
142.13177	8.7
157.88406	2.8
167.10823	14.9
185.00909	2.3
185.02402	3.1
185.04576	2.5
185.06108	4.5
185.08186	5.6
185.11841	100.0
185.15477	7.0
186.07832	1.8
186.12411	10.3
188.60707	1.9
188.77190	1.7
196.70926	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	178.9509
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75835	0.2
59.01382	1.4
61.98846	0.2
68.22343	0.2
69.20901	0.2
70.45275	0.5
71.01407	0.6
71.36694	0.2
87.00862	0.2
89.02499	0.3
96.96023	8.5
116.93417	0.2
119.93707	0.5
134.96112	13.1
135.96202	1.4
136.94026	100.0
137.94106	10.5
139.10924	0.2
150.55635	0.2
151.92734	9.3
152.92807	1.2
154.94978	0.4
161.04552	0.2
178.95076	59.4
179.05647	0.2
179.95178	7.4
196.96078	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0563
Annotation	1D-chiro-Inositol
Peak:m/z	Relative Intensity
50.82685	0.8
55.01880	1.2
57.03439	1.9
58.00590	5.2
59.01378	100.0
60.01701	1.6
61.98830	5.8
69.03426	1.5
69.62241	8.0
69.62609	0.9
71.01385	72.3
72.01732	2.0
72.99315	9.5
73.02958	6.9
75.00877	59.1
76.01212	1.3
81.03465	3.0
83.01385	2.4
85.02949	10.1
87.00886	27.4
89.02452	36.7
90.50079	1.1
91.02248	3.8
91.64782	0.9
95.01408	3.7
96.96035	1.4
97.02980	3.1
99.00869	6.9
99.04540	1.0
101.02448	11.9
105.01965	2.1
113.02464	6.2
113.50829	1.0
117.01979	5.6
119.03512	3.0
119.05031	1.5
122.14249	1.1
125.02476	3.7
141.01982	2.2
143.03517	3.6
157.97818	1.0
159.03027	1.3
161.04579	20.3
162.04916	1.2
179.05635	58.8
180.05887	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	184.0616
Annotation	2'-hydroxypyridoxol
Peak:m/z	Relative Intensity
57.03436	1.5
59.01377	60.3
60.01717	1.1
61.98819	2.0
66.03481	1.0
68.99818	2.6
69.03442	2.4
70.02969	2.1
71.01382	15.0
71.05022	1.1
71.28144	2.3
73.02943	1.2
78.95913	6.3
80.94332	1.0
81.03445	1.2
82.44494	1.2
84.04561	7.6
85.02966	2.1
85.04810	1.2
85.06615	1.4
87.00891	1.2
94.02998	3.9
95.01348	1.1
95.05029	3.0
96.00927	1.7
96.04539	1.2
96.96960	3.5
97.01713	5.0
97.02996	1.5
97.06589	3.5
98.02488	4.0
98.06111	1.0
99.00885	1.1
110.02497	3.3
110.98540	2.7
112.04058	100.0
112.07704	3.7
112.98770	1.6
113.02464	4.1
113.04412	3.2
113.06087	3.2
115.01818	1.1
122.02490	1.4
122.06155	8.7
123.00857	1.1
123.04594	1.9
123.08185	4.5
124.04058	71.1
125.02470	2.9
125.04387	3.0
129.42274	1.0
140.07195	36.7
140.89680	1.7
141.05637	1.6
141.07558	2.1
141.09232	8.4
141.10260	1.7
152.98260	1.3
163.92484	1.0
166.05115	5.1
184.06177	88.7
185.02318	2.5
185.06453	6.2
185.08208	4.9
185.11830	13.7
185.15431	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	177.0195
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25668	0.3
51.26851	0.2
51.86351	0.2
54.22611	0.3
59.01380	11.0
59.50517	0.2
67.63840	0.2
69.71791	1.8
71.01386	1.0
75.00887	0.4
77.03970	0.6
85.02959	0.3
87.00874	0.7
89.02425	0.3
89.03957	0.3
89.20127	0.2
93.03471	5.0
95.05023	1.5
99.00928	0.4
105.03475	4.2
115.00366	0.7
121.02975	8.6
122.03326	0.5
123.04547	4.4
125.89970	0.3
129.01956	0.6
132.02203	1.9
133.02982	8.5
133.06618	0.5
134.03445	0.4
135.04500	0.3
139.04044	0.5
148.01666	0.4
149.02466	7.3
149.03647	0.5
150.02777	0.4
154.25650	0.2
162.03241	6.8
163.03568	0.5
177.01947	100.0
177.09183	0.7
178.02307	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	177.0188
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01108	0.6
59.01379	8.5
67.01927	0.3
69.58047	1.2
69.58470	1.2
70.06296	0.3
71.01377	0.6
75.09708	0.3
77.03970	0.8
85.86115	0.3
89.02457	0.4
93.03452	4.3
95.05037	1.4
105.03462	3.9
115.00405	0.4
121.02967	7.5
122.03331	0.5
123.04559	3.5
129.01962	0.4
132.02184	1.8
133.02979	8.4
134.03380	0.5
139.04042	0.6
143.74583	0.4
149.02460	6.4
150.02791	0.6
162.03238	6.8
163.03560	0.5
177.01942	100.0
178.02289	7.5
180.91203	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	178.0273
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	0.6
58.00594	2.4
59.01381	39.9
60.88189	0.7
61.98795	0.7
66.91039	0.8
69.03443	0.9
69.84209	5.0
71.01385	30.3
71.01786	1.5
72.99325	1.6
73.02959	1.7
77.54633	0.6
83.01402	2.2
85.02961	4.8
87.00883	14.4
89.02453	16.5
93.03466	2.3
95.01406	2.1
96.96013	0.8
97.02991	1.6
99.00877	3.8
99.82108	0.7
101.02454	5.6
101.25408	0.7
106.04270	10.1
107.01411	2.0
109.02987	1.7
111.00902	2.8
113.02477	3.2
113.38018	0.8
117.01965	3.0
119.03471	0.8
121.02971	5.7
125.02477	1.3
133.01941	1.6
133.02974	52.8
134.03766	100.0
135.04453	7.3
137.02460	41.7
137.99588	0.8
138.02808	2.4
139.04019	12.8
140.04355	1.0
141.02013	1.5
149.02475	1.7
150.03275	3.4
151.00372	2.0
161.04564	9.6
163.03639	1.2
164.01248	1.4
165.01996	1.7
175.53235	0.8
178.02737	18.4
178.81607	1.2
178.84447	1.5
178.99870	2.3
179.03522	3.5
179.05646	12.3
179.07130	1.1
179.56480	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0192
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	0.4
56.39727	0.4
57.03441	0.5
59.01378	20.1
64.49258	0.3
65.03934	0.5
70.91734	0.9
71.01391	2.1
75.00877	0.5
75.65560	0.4
77.03975	1.5
85.02960	0.6
87.00884	1.5
89.02462	0.8
89.03974	1.7
93.03465	4.3
95.05042	2.8
99.00907	1.3
103.46864	0.4
105.03468	9.8
106.03803	0.5
115.00350	0.6
121.02972	7.5
123.04534	4.7
129.01967	0.9
132.02174	2.5
133.02971	23.3
133.06606	0.5
134.02449	0.4
134.03319	0.8
137.02550	0.4
139.04025	0.5
149.02455	7.9
161.02440	0.4
162.03239	13.8
163.03581	0.8
177.01941	100.0
177.09149	1.1
178.02286	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	173.1184
Annotation	2-hydroxynonanoic acid
Peak:m/z	Relative Intensity
55.01881	0.6
56.51103	0.3
57.03429	1.5
58.00597	0.3
59.01373	2.9
60.99300	1.3
61.98822	1.8
65.03983	0.3
67.01889	7.7
68.02236	0.3
68.99824	0.4
69.03456	2.1
69.58635	0.3
69.71651	0.5
69.72063	1.9
71.01381	7.9
71.05005	0.4
72.00928	0.3
72.99323	1.8
73.02949	6.9
74.03259	0.4
75.00874	1.1
76.57873	0.3
81.03457	1.2
83.01384	0.9
83.05029	3.2
85.01873	0.3
85.02957	3.0
85.06583	0.4
87.00887	0.6
88.98827	0.8
93.03466	38.2
94.03814	2.2
96.99271	0.4
97.02978	0.3
99.00886	4.6
99.04523	2.0
99.92602	0.8
100.92596	0.9
101.02472	0.6
101.06068	0.6
101.98147	0.6
102.05576	0.3
109.02937	0.7
111.00907	2.1
111.04534	8.2
111.08171	5.0
112.04879	0.3
112.08539	0.4
112.98814	0.9
113.02473	0.4
114.01965	1.1
115.00381	0.9
123.00912	0.4
124.98837	1.0
125.09660	0.4
127.07631	0.3
127.11311	10.3
128.11649	0.8
129.01950	1.2
129.05592	0.6
129.09232	1.1
130.06627	0.4
131.07150	1.1
137.02438	2.7
140.01207	0.5
142.99869	2.2
143.03511	0.7
144.04584	0.4
145.01443	0.6
145.02971	1.1
146.02492	0.5
146.06116	0.4
154.94754	0.8
154.99841	0.6
155.03528	1.7
155.10779	2.3
171.10303	1.2
173.00917	1.3
173.02486	0.9
173.04558	5.5
173.06061	0.9
173.08214	3.1
173.11836	100.0
174.01965	0.8
174.05670	0.8
174.07629	1.7
174.12173	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	174.0562
Annotation	NH2Mec
Peak:m/z	Relative Intensity
50.87568	0.2
51.27193	0.2
54.35186	0.2
57.03419	0.2
57.12683	0.2
59.01377	3.7
60.99316	0.3
61.98831	5.1
65.99850	1.8
66.23878	0.2
67.01881	0.3
68.02227	0.3
68.99814	0.7
69.03448	0.3
71.01392	2.5
71.05436	0.5
72.99305	0.4
73.02953	0.6
74.03275	0.3
75.00858	0.6
76.33097	0.2
81.03452	0.2
85.02956	1.7
85.06596	0.5
86.02475	0.2
87.00878	1.4
88.98833	1.5
90.03503	0.4
93.03468	0.5
94.03791	1.6
99.00884	0.4
99.92608	0.7
100.98790	0.3
101.92424	0.3
101.98111	1.2
102.03501	0.4
102.05579	0.2
112.04813	0.4
112.08504	0.3
113.06097	0.5
114.01970	1.0
115.00389	1.4
115.04029	1.4
115.92102	0.2
116.05067	0.3
116.92871	0.6
118.03009	0.8
124.98830	0.8
127.97563	0.3
129.02115	0.5
130.06636	0.6
131.03696	1.8
131.05022	0.3
131.07034	0.3
131.08263	0.4
132.98215	0.4
142.03000	16.1
143.03357	1.4
144.04576	3.9
145.04962	0.4
146.02480	0.7
146.06172	0.3
147.04524	0.3
157.01419	0.2
158.44743	0.2
159.03268	11.8
160.01646	0.3
160.03622	0.7
171.80908	0.2
174.05609	100.0
174.84006	0.3
174.86143	0.3
174.87602	0.4
174.88986	3.7
175.02666	0.4
175.04071	0.7
175.05984	10.5
175.07495	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.025
Annotation	(4S)-4,6-Dihydroxy-2,5-dioxohexanoate
Peak:m/z	Relative Intensity
58.00596	6.5
59.01379	75.7
59.36467	4.3
60.11288	4.0
61.98795	4.9
63.52613	3.9
68.99804	9.2
70.90801	5.0
70.91146	13.3
71.01381	71.4
72.99294	11.2
73.02959	17.6
75.00880	16.6
82.90453	4.3
85.06596	4.5
86.00099	99.8
87.00900	22.3
89.54771	4.6
96.99325	10.6
99.00867	12.8
100.98811	100.0
101.02446	60.5
108.49622	4.0
113.06086	6.8
115.00391	36.0
115.04018	8.0
117.01942	20.2
119.84892	6.0
124.98809	15.0
127.97538	70.7
142.99876	52.7
146.97127	5.2
148.98645	50.1
149.98747	8.3
174.76823	4.2
174.82845	43.8
174.88925	6.2
174.96541	6.1
175.01207	4.4
175.02484	28.6
175.03909	7.8
175.06172	6.1
193.07135	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	173.0093
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41371	0.5
53.00287	2.9
55.01881	7.7
57.03445	2.5
58.02993	0.7
59.01376	5.3
67.01897	1.8
68.99822	2.7
71.01386	100.0
71.44299	0.9
71.44648	0.8
72.01727	3.2
72.99316	2.4
73.02953	6.0
77.38220	0.6
78.47478	0.7
80.99841	1.3
83.01398	6.7
83.05019	0.8
85.02956	5.5
87.00900	2.1
93.02964	0.8
93.03453	4.3
96.99303	4.7
99.00896	35.2
111.00904	6.6
111.04558	1.5
112.98826	26.5
115.00355	3.5
116.50632	0.7
121.86832	0.7
124.98830	25.7
124.99760	1.3
125.99203	0.9
129.01985	2.3
132.39746	0.8
135.76498	0.8
136.92079	0.7
142.99881	57.4
143.99220	0.8
144.00264	2.3
145.01547	0.7
154.23863	0.7
154.99841	1.0
173.00929	15.9
173.04613	1.1
173.94632	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.0093
Annotation	L-dehydro-ascorbate
Peak:m/z	Relative Intensity
53.00297	2.0
55.01877	6.0
57.03443	3.9
59.01378	6.5
67.01891	1.2
68.99812	3.1
71.01382	100.0
71.45673	1.0
71.46022	0.9
72.01723	2.5
72.99290	3.9
73.02946	6.0
74.37306	0.8
80.99826	1.3
83.01390	8.4
85.02948	9.6
87.00879	3.8
93.03478	1.7
96.99323	4.2
99.00889	33.2
100.01216	1.3
101.02369	1.0
111.00885	7.0
112.98822	32.5
115.00376	3.5
124.98821	25.5
128.07152	1.6
129.01952	2.4
131.08202	0.8
137.02371	0.8
140.20258	0.8
142.99875	57.9
144.00206	3.2
145.01378	1.4
154.99724	1.0
173.00909	14.8
174.07722	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	173.0093
Annotation	L-dehydro-ascorbate
Peak:m/z	Relative Intensity
51.52047	0.5
53.00301	2.1
54.37936	0.5
55.01881	6.6
57.03452	3.5
58.85690	0.5
59.01384	4.2
61.98827	0.7
67.01899	1.3
68.99818	2.5
70.08458	1.0
70.08871	1.8
71.01386	100.0
72.01735	2.5
72.99326	2.9
73.02946	4.7
76.18820	0.5
80.99825	1.3
83.01394	7.7
83.01852	0.9
85.02959	43.9
86.03313	1.7
86.06107	0.8
87.00889	3.4
93.03445	3.0
96.96986	0.9
96.99312	3.8
98.20548	0.7
99.00893	34.5
100.01206	1.4
100.07696	0.9
111.00900	7.0
111.04533	1.6
112.98828	21.3
113.99147	0.6
115.00391	11.3
116.07194	0.7
124.98825	27.5
125.99158	1.6
128.07176	0.8
129.01958	9.6
130.02312	0.6
131.08293	0.9
140.98329	1.1
142.99884	68.9
143.99214	0.6
144.00227	3.2
154.99889	0.6
173.00920	19.3
173.04547	0.7
174.01236	1.6
174.07803	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	172.0982
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13877	0.2
55.01914	0.5
55.32711	0.2
57.03479	1.0
58.02975	1.6
59.01384	2.0
60.99334	0.8
62.62806	0.2
65.03978	0.2
67.01894	5.3
68.99838	0.3
69.03471	1.4
70.64436	0.7
71.01385	5.9
72.99310	2.6
73.02953	4.5
74.93567	0.3
75.00900	0.5
76.68369	0.2
81.03519	0.7
83.01434	1.0
83.05035	2.5
83.05476	0.2
85.02959	3.4
85.06621	0.3
87.00916	0.4
93.03468	24.4
93.35964	0.2
97.02972	0.3
97.06645	0.5
99.00893	3.4
99.04533	1.5
99.49976	0.3
99.92596	3.0
100.92657	0.3
101.02478	0.5
109.06644	0.4
110.06934	0.3
111.00896	12.0
111.04536	6.2
111.08176	4.7
112.04075	0.5
112.98830	0.7
113.02489	0.4
115.00389	0.7
115.92127	0.4
116.05099	0.5
117.03485	0.2
124.98814	0.8
127.07642	0.6
127.11317	0.3
128.08008	3.1
128.10834	2.5
129.01939	1.4
129.05594	0.6
129.09283	0.6
130.08757	100.0
131.07133	0.9
131.09103	4.6
137.02470	2.7
142.99855	1.8
143.03535	0.5
144.04587	2.5
145.01411	0.3
145.03001	0.5
154.94791	0.5
154.99878	2.0
155.03488	1.0
171.91052	0.7
172.04018	1.1
172.06197	0.4
172.09772	15.8
172.14261	0.4
173.01042	1.7
173.02429	0.7
173.04527	4.0
173.06004	0.4
173.08234	3.0
173.10115	1.1
173.11806	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	172.0982
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61723	0.3
55.01892	0.7
57.03467	1.2
57.93501	0.4
58.00591	0.3
58.02978	2.5
59.01374	1.8
60.99322	1.0
67.01892	5.5
67.02222	0.4
68.99839	0.3
69.03451	1.4
70.89937	0.8
71.01385	6.7
71.05026	0.6
71.38076	0.3
72.99307	1.8
73.02949	3.8
73.03290	0.3
74.25393	0.3
75.00901	0.5
81.03477	0.7
81.85429	0.3
83.01379	1.6
83.05037	2.5
84.04554	0.3
84.49918	0.3
85.02956	3.2
85.06633	0.4
87.00877	0.3
87.04519	0.3
93.03470	27.5
97.02968	0.3
99.00880	3.7
99.04552	1.0
99.92602	2.5
101.02473	0.8
109.02971	0.3
109.06686	0.3
111.00902	8.2
111.04536	5.6
111.08192	3.2
112.04053	0.6
112.98829	0.8
113.02501	0.4
114.05284	0.3
115.00413	0.7
115.92117	0.6
116.05103	0.4
124.98819	0.9
128.08035	0.6
128.10841	7.2
129.01932	0.7
129.11185	0.3
130.08759	100.0
131.09103	6.2
137.02483	2.5
142.99893	1.8
143.03526	0.5
144.04536	2.8
145.01447	0.7
145.03020	0.4
154.99861	1.6
155.03540	1.1
171.91010	0.8
172.02583	0.3
172.04021	1.1
172.09787	22.2
173.01056	1.5
173.02400	0.7
173.04527	4.3
173.06062	0.8
173.08293	2.2
173.10127	2.1
173.11615	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.1235
Annotation	9-Decenoic acid
Peak:m/z	Relative Intensity
50.85070	0.4
52.82646	0.5
57.69891	0.4
61.01521	0.4
61.98825	0.6
64.27708	0.4
68.99855	0.5
69.03460	1.2
70.58612	1.6
81.03442	0.5
83.01390	0.5
87.00877	0.6
97.02967	1.3
98.20577	0.5
101.83461	0.5
107.05037	0.4
111.84153	0.5
122.89439	2.4
125.02471	13.9
125.09718	1.0
126.02763	0.8
128.07178	1.2
134.86539	0.4
140.03517	0.5
148.34238	0.4
169.01447	6.7
169.12354	100.0
170.04636	0.5
170.12706	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	171.1392
Annotation	8-methyl Nonanoic acid
Peak:m/z	Relative Intensity
50.62622	0.3
71.60925	0.5
99.92627	0.5
127.11280	0.7
145.15274	0.3
146.80583	0.3
148.70142	0.4
171.01970	0.4
171.10310	11.9
171.13914	100.0
172.10609	1.2
172.14249	9.5
190.27071	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	172.0982
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	0.6
58.02968	1.5
59.01386	0.8
60.99304	0.5
67.01891	3.1
69.03465	0.8
71.01382	4.2
71.05046	0.3
71.59567	0.6
72.99326	1.0
73.02946	2.9
78.59237	0.3
81.03486	0.6
82.06603	0.5
83.01405	0.5
83.05032	1.5
83.94986	0.3
85.02963	2.0
86.02528	0.4
93.03471	15.1
99.00897	2.3
99.04540	0.9
99.08139	0.3
99.92603	2.0
101.02477	0.6
111.00888	2.1
111.04531	3.2
111.08171	1.5
112.04060	0.5
112.98830	1.1
115.00366	0.3
115.92066	0.3
116.05046	0.5
124.98804	1.0
128.08031	0.3
128.10823	2.6
129.01958	0.4
129.05563	0.3
130.08755	100.0
131.08250	0.4
131.09103	5.0
137.02452	1.1
142.99873	1.8
143.03468	0.4
144.04553	2.3
145.01462	0.5
145.02956	0.6
154.99875	0.4
155.03535	1.1
172.04018	1.0
172.09795	16.6
173.00937	0.6
173.02271	0.3
173.04626	3.1
173.06018	0.4
173.08234	1.4
173.10088	1.6
173.11646	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	168.1396
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91559	0.2
53.10867	0.2
57.03453	0.3
58.02975	100.0
59.01373	0.4
59.02692	0.4
59.03311	1.7
59.03588	0.2
61.98824	0.6
65.00327	0.2
68.99837	0.4
69.03463	1.0
70.02988	0.6
71.01402	0.3
71.05022	0.6
71.72323	0.2
81.03487	0.4
82.02991	0.5
82.95422	0.4
83.01384	0.3
83.05049	0.5
87.00877	0.6
93.03419	0.2
95.01397	0.3
95.05006	0.2
96.99274	0.2
97.02956	1.1
97.06599	0.2
98.02475	0.2
107.04998	0.4
108.02093	0.1
108.04578	0.9
111.00825	0.2
113.02455	0.3
122.06094	0.3
122.89446	2.4
123.00898	0.2
124.01709	0.3
124.04027	0.3
124.04874	0.2
125.02473	11.9
125.06094	0.5
125.09737	0.9
132.86835	1.3
135.64751	0.2
141.12871	0.3
150.05615	0.3
151.00366	0.3
151.04062	0.2
151.11272	0.7
153.01550	0.3
153.99054	0.4
154.02721	0.2
167.10907	0.2
167.14430	0.3
168.02861	0.2
168.04091	0.2
168.06639	0.6
168.13931	9.1
168.83553	0.5
168.98958	0.5
169.01460	5.2
169.05072	0.5
169.08701	0.4
169.12366	1.2
169.14317	0.9
169.15965	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	169.1236
Annotation	Angelicoidenol
Peak:m/z	Relative Intensity
55.01878	4.0
57.03427	1.0
59.62826	0.3
61.98816	0.6
68.99812	0.6
69.03468	1.9
71.01373	1.2
71.05021	13.8
71.72102	0.6
72.05364	0.4
80.02683	13.8
81.03019	0.7
81.03458	1.7
83.01386	0.5
83.05037	1.3
84.02174	100.0
85.02516	3.2
85.02934	0.8
87.00915	0.4
88.83723	0.4
95.05044	0.8
97.02265	0.4
97.02956	1.4
97.06600	0.5
99.04536	0.5
111.08135	0.9
113.09738	4.9
119.23954	0.4
122.89423	2.4
125.02468	9.1
125.06081	0.5
125.09721	1.4
126.02846	0.4
128.07202	1.0
131.99544	0.5
133.10254	1.7
134.86565	0.5
139.11295	6.0
140.03499	0.6
140.11542	0.5
141.12878	19.5
142.13179	1.5
149.09738	3.0
151.11302	64.5
152.11653	5.3
165.09206	0.5
167.10789	1.6
168.83698	0.7
169.01448	3.9
169.05161	0.8
169.06509	0.7
169.08620	0.7
169.12361	27.9
170.08147	0.5
170.12671	2.2
189.53392	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0352
Annotation	Orsellinate
Peak:m/z	Relative Intensity
53.01191	0.5
53.81169	0.5
57.45890	0.5
63.02395	1.0
63.24495	0.5
65.00327	7.2
67.01886	1.1
70.89228	1.2
77.14190	0.5
80.02708	1.1
81.03488	0.6
83.01398	1.1
91.01906	45.9
92.02251	2.3
95.01408	1.7
96.04601	0.5
107.01473	0.5
108.02184	43.5
109.02432	2.6
111.00895	5.1
123.00932	2.8
123.04540	100.0
124.01680	4.9
124.04858	5.9
139.00389	1.2
152.01172	67.7
153.01547	4.6
167.03513	47.4
167.07214	0.8
168.03871	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	168.0416
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.5
57.03452	1.2
59.01374	1.4
65.00328	0.4
65.99860	0.7
66.03477	0.3
67.01895	0.4
68.99820	0.6
69.03454	1.2
71.01383	1.0
71.69551	0.3
72.54204	0.2
73.02937	0.2
78.95905	4.3
80.05070	0.3
80.96500	0.2
81.03466	0.8
82.02992	0.8
83.01392	0.9
83.02515	4.3
83.05029	0.4
85.02952	1.1
86.51562	0.2
92.02272	0.3
94.02960	0.3
95.01402	0.5
95.05041	0.5
96.04572	0.9
96.96004	0.2
97.02955	1.4
97.06609	0.5
98.00116	0.3
98.02464	0.3
99.00868	1.1
107.01395	0.3
107.05028	0.4
108.02174	0.5
108.04549	1.1
109.02477	0.5
110.00105	0.6
110.02451	0.3
111.00874	0.5
111.02053	0.2
111.04551	0.2
113.02463	1.5
122.06122	0.6
122.89447	0.6
123.00922	0.6
123.04504	0.7
124.04031	0.9
124.04895	1.0
124.07713	0.6
125.02479	3.8
125.06120	1.3
125.09720	1.0
126.03109	100.0
126.90368	0.8
126.98904	0.5
127.02657	0.5
127.03500	3.2
137.99667	0.3
139.00394	0.5
141.01958	0.4
150.05614	0.5
150.98923	0.8
151.00372	0.7
151.03947	0.4
152.01247	0.3
153.01563	1.4
153.99100	0.6
154.02744	0.2
168.02780	0.4
168.04164	3.1
168.06667	0.8
168.10287	0.4
168.83647	7.9
169.00012	0.5
169.01421	5.5
169.05121	1.3
169.08701	1.0
169.12241	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	166.0512
Annotation	Orthoform
Peak:m/z	Relative Intensity
56.15131	0.4
59.01379	0.7
61.98818	0.6
65.00318	0.6
66.03480	1.7
67.01883	0.6
68.99803	0.7
69.03432	0.4
71.72318	0.6
79.01913	0.5
80.05064	1.9
80.91677	0.5
81.03457	0.8
83.01405	0.8
87.60765	0.4
91.01878	0.9
93.03449	1.2
93.99368	0.6
94.02982	0.6
95.01405	3.0
95.05050	0.9
97.02975	0.5
108.02183	10.1
108.04547	2.2
109.02939	0.7
111.00851	0.5
120.05405	0.8
121.02968	10.0
122.02507	0.7
122.03289	6.7
122.06139	0.9
123.00878	2.4
123.03454	0.6
123.04533	8.9
123.07371	0.5
123.08204	1.2
124.01697	0.7
124.04053	0.9
125.02459	1.3
132.86763	0.4
136.04178	0.9
136.05310	9.9
137.05641	0.4
138.01933	0.4
138.03011	0.4
138.05629	2.4
139.03995	1.0
148.04866	1.5
149.02394	0.4
151.00377	1.7
151.02757	20.0
152.01164	22.2
152.03117	1.1
164.98355	0.4
166.05099	100.0
166.83403	0.6
166.99825	0.4
167.03508	11.1
167.05435	7.2
167.07108	1.3
167.10757	0.9
183.01733	9.6
183.03349	0.5
184.02129	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0406
Annotation	L-Xylonate
Peak:m/z	Relative Intensity
55.01880	3.3
57.03446	1.1
59.01377	6.3
61.98832	12.6
63.99256	1.3
71.01381	5.8
71.58629	0.5
71.71597	0.4
72.99316	6.3
73.02942	0.7
75.00877	92.4
76.01221	1.8
77.00677	1.4
77.03971	6.0
83.01405	0.5
85.02970	1.9
87.00887	19.7
88.01230	0.7
89.02451	3.3
93.03475	1.5
99.00896	1.7
101.02466	2.1
101.16144	0.5
105.01945	14.7
106.02340	0.7
106.30500	0.4
108.04576	0.8
109.02969	0.5
117.01965	1.8
119.05048	0.5
121.02972	100.0
122.02519	0.5
122.03307	7.0
129.01964	12.2
130.02338	0.5
137.02460	1.1
138.05594	0.6
147.03018	6.1
147.04530	2.3
148.04041	0.8
150.03201	0.4
164.89598	1.5
165.02008	9.1
165.04066	50.0
166.02362	0.6
166.04228	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	166.051
Annotation	Orthoform
Peak:m/z	Relative Intensity
53.91725	0.3
55.11935	0.4
59.88374	0.3
61.98844	0.5
63.95476	0.3
66.03481	1.6
67.01897	0.7
68.99846	0.4
69.94524	0.8
69.94946	1.5
69.99836	0.3
71.01378	0.4
72.43056	0.4
72.49668	0.4
72.99311	0.6
78.04269	0.4
80.02660	0.4
80.05051	1.1
81.03468	0.8
83.01395	0.5
91.01911	1.3
93.03458	0.7
93.99349	1.0
94.02979	0.6
95.01376	2.4
95.05029	1.1
97.02972	0.5
108.02193	10.0
108.04566	1.3
109.02962	0.8
111.00893	0.6
120.05377	0.4
120.89856	0.5
121.02944	2.0
122.02480	1.0
122.03307	5.4
122.06126	0.6
123.00888	2.8
123.03641	0.6
123.04542	9.3
123.08161	1.0
124.01689	0.9
124.04079	0.5
125.02436	1.1
135.04547	0.7
136.05315	23.6
137.02466	0.8
137.05659	1.7
138.01952	0.4
138.05585	1.6
139.00388	0.6
139.04022	1.0
148.04909	1.8
149.02464	1.1
151.00417	1.5
151.03685	0.5
152.01172	21.6
165.01901	0.6
166.05099	100.0
166.83403	0.4
166.99872	0.9
167.03510	10.7
167.05447	5.8
167.07176	1.1
167.10843	0.5
167.14493	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0403
Annotation	4-Coumaric acid
Peak:m/z	Relative Intensity
59.01376	0.6
66.45511	0.2
67.25926	0.2
71.01395	0.7
71.06225	0.5
82.77402	0.2
85.02956	0.5
91.05547	6.9
92.05871	0.6
93.03468	1.0
101.02460	0.8
111.14731	0.2
119.05045	100.0
120.04550	0.5
120.05378	7.3
135.04533	1.0
162.89394	0.5
163.00383	0.5
163.04030	9.5
163.06038	1.1
163.47287	0.2
164.04335	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	164.0719
Annotation	L-Phenylalanine
Peak:m/z	Relative Intensity
57.15672	0.4
62.03252	0.4
65.90578	0.4
69.94408	2.4
72.00912	39.0
72.12142	0.4
73.01224	0.6
74.15263	0.4
74.21130	0.5
74.55586	0.4
91.05531	2.3
95.20109	0.4
100.57285	0.5
103.05514	1.0
119.05039	1.5
121.03049	1.0
128.82913	0.4
136.34947	0.4
146.06116	0.6
147.04538	100.0
147.91823	0.4
148.04874	8.3
164.07179	54.9
165.07539	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	163.0403
Annotation	4-Coumaric acid
Peak:m/z	Relative Intensity
56.01799	0.2
57.03462	0.3
59.01383	1.2
65.03976	0.1
69.79920	0.6
69.80328	0.5
71.01389	0.9
73.02941	0.4
78.73024	0.2
85.02942	0.8
89.02460	0.2
91.01889	0.2
91.05594	0.3
92.05082	0.6
93.03468	0.9
101.02440	1.0
107.05073	0.2
109.02956	0.2
113.02481	0.3
117.03482	0.2
119.05045	100.0
120.04568	1.0
120.05363	6.5
121.02948	0.2
136.04099	0.2
143.03511	0.2
145.05008	0.3
147.04555	0.3
149.02499	0.2
161.04626	0.2
162.89368	0.6
163.00388	0.7
163.04031	9.7
163.06061	1.5
163.07539	0.3
164.04555	0.8
164.07214	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0403
Annotation	m-Coumaric acid
Peak:m/z	Relative Intensity
53.06044	0.2
58.67321	0.2
59.01381	0.9
60.35838	0.2
61.98830	1.5
69.03471	0.3
69.85921	1.3
71.01389	0.8
73.02950	0.2
81.03461	0.2
84.94349	0.2
85.02942	0.7
93.03477	1.3
98.20602	0.4
101.02451	0.6
107.05035	0.5
116.92081	0.5
117.03466	0.3
119.05039	100.0
120.05376	6.5
121.02934	0.2
121.06590	0.5
134.03723	0.2
135.04553	0.2
143.03561	0.3
162.83910	0.5
162.89282	0.3
163.00410	0.4
163.04022	10.7
163.06151	1.3
163.07663	1.0
164.04427	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.061
Annotation	4-Hydroxycinnamoylmethane
Peak:m/z	Relative Intensity
52.58770	1.1
55.01874	4.4
57.03448	14.6
58.00602	2.1
59.01380	56.9
60.01712	2.3
61.98825	1.5
67.01887	8.6
68.40810	1.1
68.99839	1.3
69.03466	4.2
70.91907	4.0
71.01387	47.2
72.01749	1.7
72.99323	5.6
73.02950	55.4
75.00876	6.1
81.03479	10.7
83.01398	13.7
84.02190	2.2
85.02957	70.3
86.03268	2.6
87.00885	6.4
87.02442	1.2
89.01926	1.7
89.02448	14.9
91.05541	2.9
93.03478	2.2
95.01400	2.9
95.05014	1.3
97.02969	6.1
99.00888	2.7
99.02419	19.0
99.04526	5.7
100.02787	1.8
101.02459	17.5
105.03449	4.4
105.07117	3.4
106.04277	3.3
107.05052	10.5
113.02455	27.7
115.05609	6.3
115.91324	2.2
115.92091	35.6
117.03465	1.9
117.07112	5.7
119.05045	29.4
120.05374	1.8
123.04552	2.3
125.02446	2.1
131.03522	35.4
131.04994	7.0
132.03812	1.4
132.05817	5.5
133.02950	4.4
133.06612	43.7
134.06960	3.5
143.05046	27.7
144.05370	2.9
145.02969	5.6
146.03757	15.1
159.04517	5.4
160.05330	11.3
160.84236	4.7
160.89217	3.4
161.02560	6.2
161.04593	25.5
161.06090	100.0
161.13379	1.6
161.89450	1.7
161.91365	4.0
162.01959	4.0
162.06483	10.3
163.98859	1.2
178.02681	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	157.0507
Annotation	(1S,4S)-4-Hydroxy-3-oxocyclohexane-1-carboxylate
Peak:m/z	Relative Intensity
55.01891	0.3
56.17492	0.3
57.03439	0.8
58.69837	0.3
59.01378	8.1
60.59760	0.3
67.01875	0.3
67.23151	0.3
68.99816	2.0
69.03465	0.8
71.01389	1.5
71.05029	0.6
71.09584	0.9
83.01414	0.7
83.05032	0.7
84.99318	3.3
85.02964	1.2
85.06592	0.6
86.02482	0.4
87.00909	0.9
91.28881	0.3
95.01419	0.4
95.05040	1.0
95.19540	0.3
96.99328	0.4
97.06602	0.6
99.00884	3.7
108.55777	0.3
111.00919	0.7
111.08167	0.5
112.07710	0.5
113.06102	100.0
114.05666	0.4
114.06420	5.9
114.93439	0.4
115.00383	2.3
115.05956	0.4
124.98848	1.1
127.00390	6.4
128.05081	0.6
128.98323	0.7
130.06635	0.7
139.04012	0.3
139.07672	0.7
140.07176	0.6
156.06689	1.4
156.89516	3.6
157.01399	1.6
157.05087	11.5
157.08719	5.7
157.12354	5.9
158.06161	1.4
158.08229	10.7
158.09419	0.7
158.12697	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0458
Annotation	3-Hydroxy-3-methylglutarate
Peak:m/z	Relative Intensity
50.99335	1.3
55.01866	4.0
57.03448	91.8
58.00589	3.9
58.03761	2.2
59.01376	90.9
61.98829	7.0
69.03457	4.7
70.13793	7.6
71.01385	79.3
71.05019	9.1
72.01718	2.3
72.99323	9.8
73.02946	47.3
75.00883	3.3
81.03464	8.9
83.01395	15.7
84.02191	1.6
85.02954	84.2
86.03268	1.8
87.00349	1.6
87.00884	30.9
89.02448	13.5
95.01386	12.1
97.02936	6.9
99.00905	3.7
99.04526	100.0
100.04859	3.3
101.02454	61.5
102.02754	2.6
104.03549	3.1
113.02452	27.0
115.04019	1.8
117.05582	4.1
125.02460	2.7
131.03516	32.7
140.41476	1.3
140.95158	1.6
141.37363	1.5
143.03517	8.7
160.84227	3.8
161.02524	2.7
161.04578	52.8
162.01962	1.8
162.04919	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	156.0669
Annotation	N-ACETYLPROLINE
Peak:m/z	Relative Intensity
55.01871	0.7
57.03453	1.1
59.01381	7.5
59.69568	0.2
66.03484	0.3
66.63891	0.2
68.99811	0.9
70.02975	2.2
70.45719	0.5
70.46115	0.4
71.01393	0.6
83.01392	0.5
84.04594	0.3
84.99303	0.5
85.02962	0.5
86.02451	0.2
95.05061	0.3
96.99327	0.9
97.06593	0.2
98.02469	0.4
99.00881	1.3
107.18746	0.3
112.04034	0.5
112.07717	1.2
113.06095	1.0
114.05622	100.0
115.00388	0.7
115.04389	0.2
115.05213	0.4
115.05968	4.6
118.38020	0.2
124.98783	1.3
126.05639	0.4
127.00395	2.6
128.93159	0.2
138.05640	0.6
145.33403	0.2
155.86661	0.4
156.00214	0.5
156.06679	12.4
156.30815	0.2
156.89490	1.3
157.01433	0.9
157.05066	0.4
157.07011	0.7
157.08717	2.2
157.12344	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	157.0509
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.6
56.28537	0.4
56.89972	0.3
57.03435	1.6
59.01379	22.2
65.57520	0.3
67.01869	0.4
68.99815	2.9
69.03461	0.7
71.01385	2.5
71.26335	0.9
73.02951	0.5
75.00877	0.6
82.90687	0.4
83.01391	0.9
83.05031	0.9
84.99328	4.5
85.02963	3.0
85.06588	0.4
87.00867	2.2
89.88638	0.3
95.01384	0.8
95.05037	1.5
96.86317	0.3
96.99329	1.3
97.02946	0.4
97.06594	1.2
99.00893	6.2
111.00896	1.0
111.08159	0.9
112.07704	0.7
113.06104	100.0
113.09711	1.7
114.05657	0.8
114.06429	5.0
115.00387	6.0
115.05954	1.0
116.07176	0.6
124.98820	1.7
126.99512	0.7
127.00401	10.6
128.00766	0.7
128.05035	0.6
128.98282	0.8
129.02008	0.6
130.06653	1.4
139.00427	0.6
139.07677	1.4
140.07217	0.9
156.06625	1.9
156.89493	5.9
157.01437	2.9
157.02509	0.5
157.05093	12.2
157.08727	10.0
157.12352	10.4
158.03619	0.5
158.06294	2.7
158.08224	16.7
158.12723	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.108
Annotation	Nonane-4,6-dione
Peak:m/z	Relative Intensity
51.38526	0.6
55.01671	0.6
55.01879	7.5
57.03444	1.7
59.01379	13.5
67.01883	2.4
69.03464	1.2
69.46397	4.2
69.46817	1.3
70.02967	0.7
71.01383	2.1
73.02939	3.3
74.81168	0.5
75.37324	0.5
81.03474	0.9
83.01395	10.3
83.05051	3.2
84.00916	1.4
84.04559	1.6
85.02953	2.0
90.38951	0.6
93.03471	3.6
93.85300	0.8
95.01392	0.8
96.96024	1.3
96.97034	0.7
98.19937	1.1
99.92604	5.1
109.02995	1.3
109.06564	0.8
111.00906	3.7
111.04533	4.2
111.08163	3.4
111.99654	0.6
112.00429	1.1
112.04056	2.3
113.02443	1.1
114.05623	21.4
126.05651	1.0
127.00386	3.4
127.04126	0.8
127.05109	1.0
129.09271	0.6
137.02446	1.0
137.09740	2.0
140.01215	3.2
154.86897	6.0
154.99887	8.0
155.02634	2.0
155.03761	3.0
155.07166	2.3
155.10799	100.0
155.86594	39.5
156.06668	8.3
156.11140	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	156.0667
Annotation	N-ACETYLPROLINE
Peak:m/z	Relative Intensity
50.51874	0.2
54.93969	0.2
55.01875	1.1
56.02219	1.1
56.99157	0.2
57.01447	0.2
57.03440	0.8
58.99076	0.2
59.01372	1.9
61.98822	0.4
66.03497	0.3
68.99803	1.0
70.03013	0.3
70.45864	0.3
70.46233	0.4
71.01376	0.5
74.62917	0.2
76.27290	0.2
79.62967	0.2
83.01414	0.5
84.01734	0.5
85.02961	0.2
96.99334	0.2
99.00879	0.5
108.69035	0.2
112.04040	0.2
112.07703	0.2
113.06108	0.3
114.05620	100.0
115.00397	0.2
115.05201	0.4
115.05962	4.5
124.98793	0.4
127.00396	0.5
151.05119	0.2
155.91127	0.3
156.00208	1.1
156.06676	8.0
156.89490	0.9
157.00311	0.3
157.01440	0.3
157.07016	0.4
157.08636	0.2
161.25372	0.2
171.64722	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1286
Annotation	1,8-Cineole
Peak:m/z	Relative Intensity
57.03445	0.7
59.01360	1.6
61.98828	0.9
65.00310	1.0
65.03950	1.4
66.03484	7.1
67.01907	0.8
67.03008	1.5
67.03812	1.4
67.65565	0.7
68.99812	1.6
69.03450	2.8
69.55788	1.6
69.56190	5.8
71.01380	1.5
71.05020	1.5
72.00906	1.8
80.03811	1.9
80.05041	0.7
81.03456	7.1
81.04588	1.9
82.02995	3.8
83.01402	2.4
83.05040	2.0
84.39360	0.7
85.02977	1.9
91.01888	0.7
92.05065	1.6
93.03476	0.9
93.04588	14.0
95.01392	0.9
97.02961	1.2
97.06598	16.1
98.02476	1.0
98.06966	1.0
99.08182	6.2
107.01385	0.8
107.05054	1.4
108.02183	8.6
108.04601	0.8
108.05713	1.5
109.02964	91.9
109.06602	3.2
110.00115	6.0
110.02539	1.5
110.03279	7.2
110.06150	1.6
110.07247	3.7
111.04558	1.3
112.04078	1.0
123.00868	1.4
123.04539	2.3
124.04046	9.7
124.04874	0.8
124.98861	0.7
125.02454	5.8
125.09760	1.5
128.11411	0.6
135.04539	2.7
136.04063	5.4
136.05112	1.3
137.03592	8.8
137.09740	2.5
137.99602	7.3
139.02759	0.8
151.00391	2.5
151.11299	2.5
153.01961	37.0
153.05557	3.9
153.12865	70.8
153.86880	100.0
154.01318	1.6
154.02350	2.4
154.05099	7.5
154.06259	19.5
154.13184	7.4
155.72449	0.7
167.43988	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	154.9988
Annotation	2,5-Furandicarboxylate
Peak:m/z	Relative Intensity
55.01878	43.7
56.02209	0.8
57.03447	0.5
58.96029	0.4
59.01370	0.9
67.01885	1.0
71.01382	6.3
71.34011	0.8
78.95879	0.5
83.01391	24.9
84.01726	0.9
84.04518	0.4
93.03471	1.1
96.96005	0.5
96.96970	0.9
99.00875	0.6
111.00901	1.7
111.02009	0.7
111.04546	0.6
112.07662	0.5
114.05622	100.0
123.20103	0.4
127.00387	5.5
132.62096	0.4
154.99884	37.5
156.00264	2.3
156.06667	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	153.056
Annotation	Hydroxytyrosol
Peak:m/z	Relative Intensity
55.01895	0.6
55.45934	0.4
58.02973	0.9
59.01383	0.9
60.99305	0.5
65.03966	1.1
66.03489	4.4
66.27335	0.4
67.01880	0.6
67.03003	1.1
67.03816	0.9
68.99815	1.1
69.03461	2.8
71.01382	1.4
71.67659	0.6
71.68066	0.6
72.00921	0.7
72.99332	0.9
78.95904	2.3
79.95759	0.9
80.03806	0.8
80.05028	0.6
80.96522	0.6
81.03457	5.3
81.04570	0.8
82.02983	2.3
83.01410	2.0
83.05036	0.8
84.04552	0.5
85.02966	1.4
85.27776	0.4
89.02457	0.7
89.15737	0.4
91.01892	0.4
91.05550	1.0
92.98102	0.4
93.03475	2.6
93.04585	6.0
95.01385	1.9
95.05042	1.7
96.99353	0.8
97.02945	1.9
97.06623	0.4
97.66102	0.4
98.02499	0.9
106.04256	12.2
107.05045	76.3
108.02187	15.6
108.02930	0.8
108.04642	0.8
108.05363	6.1
109.02969	59.2
109.04158	1.8
109.06583	1.9
109.09755	0.6
110.00108	7.8
110.02508	1.6
110.03319	3.2
110.06148	1.1
110.07225	1.2
110.92625	2.0
111.00909	1.0
111.04547	1.1
112.04060	2.0
123.00899	1.1
123.03652	0.6
123.04543	11.6
124.01683	0.7
124.04054	5.4
124.04859	0.9
125.00025	0.4
125.02470	6.8
125.99663	0.6
134.03757	2.7
135.04546	100.0
136.04027	2.0
136.04906	8.3
137.03581	4.6
137.99617	10.0
138.02293	0.7
138.03265	3.0
138.99883	0.5
139.02750	0.8
151.00426	1.6
151.11363	0.8
152.93684	0.8
153.01965	29.1
153.05598	3.5
153.09251	0.7
153.12871	1.5
153.86888	12.6
153.88084	0.8
154.01459	1.7
154.02383	1.8
154.05110	5.9
154.06259	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	149.0457
Annotation	beta-l-xylopyranose
Peak:m/z	Relative Intensity
59.01379	19.2
59.23228	1.5
61.98832	2.2
69.03453	4.5
71.01389	31.9
71.67557	2.2
72.99318	16.9
73.02951	16.6
75.00877	100.0
78.38638	1.3
85.02958	4.4
87.00890	13.0
89.02454	90.6
90.02798	2.1
103.04015	7.6
111.29048	1.2
131.03528	15.5
149.04578	83.1
150.04921	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	152.0355
Annotation	4-Nitroanisole
Peak:m/z	Relative Intensity
51.23440	0.2
59.01363	0.4
65.00336	0.2
65.03962	0.4
66.03487	10.2
67.03818	0.5
67.26170	0.2
68.27909	0.2
68.99818	0.3
69.03479	0.3
70.47712	0.7
70.60268	0.2
71.01390	0.5
80.04984	0.2
80.96536	0.2
81.03465	1.9
82.02985	0.3
83.01383	0.5
83.28224	0.2
85.02932	0.3
89.02396	0.2
95.01398	0.2
97.02943	0.4
102.02790	0.3
107.05051	0.4
108.02196	2.2
108.04565	1.3
109.02966	22.8
109.06580	0.6
110.00112	1.9
110.02483	0.3
111.00922	0.2
120.89702	0.3
121.02978	0.8
122.03754	33.2
123.00906	0.4
123.04041	2.0
124.01745	0.2
124.04057	0.3
124.04855	0.4
125.02455	1.8
128.44537	0.2
135.04538	0.7
136.01724	0.2
137.01974	1.1
137.99625	2.1
138.03300	0.2
151.00363	0.4
151.87427	2.0
152.03546	100.0
153.01945	9.4
153.03888	6.7
153.05449	0.9
153.09233	0.3
153.12909	0.4
158.03818	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0457
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	19.2
59.23228	1.5
61.98832	2.2
69.03453	4.5
71.01389	31.9
71.67557	2.2
72.99318	16.9
73.02951	16.6
75.00877	100.0
78.38638	1.3
85.02958	4.4
87.00890	13.0
89.02454	90.6
90.02798	2.1
103.04015	7.6
111.29048	1.2
131.03528	15.5
149.04578	83.1
150.04921	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	147.0301
Annotation	(S)-2-Methylmalate
Peak:m/z	Relative Intensity
50.86351	1.6
57.03455	18.3
58.04926	1.3
59.01374	19.2
61.98832	7.5
65.46651	1.7
70.10278	6.8
71.01382	17.8
71.05027	3.3
72.99286	1.5
75.00870	3.4
83.01357	2.1
85.02956	68.0
87.00883	100.0
88.01231	4.1
99.00889	8.7
101.02431	6.0
101.06089	1.9
103.04047	8.1
111.00889	1.9
129.01965	21.1
130.02217	1.8
133.13734	1.4
142.41286	1.4
147.01881	3.4
147.03012	43.2
147.06612	3.6
148.03345	2.6
149.74864	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0454
Annotation	3-Isochromanone
Peak:m/z	Relative Intensity
53.42918	4.1
57.03440	12.7
59.01377	39.4
61.98832	100.0
66.58884	3.3
67.86314	3.4
68.99815	5.1
70.01234	20.7
71.01382	86.4
71.05013	14.9
72.99314	16.2
73.99670	3.5
75.00879	15.4
85.02949	22.0
87.00882	27.7
89.02468	10.4
98.20004	4.0
99.00883	45.4
101.02430	10.6
103.03947	4.6
111.94786	3.2
119.05067	5.6
120.04589	5.3
126.79288	3.3
127.38238	4.1
129.01935	10.2
147.01967	7.3
147.03014	13.2
147.04532	68.8
147.06612	18.6
148.05005	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	145.0622
Annotation	glutamide
Peak:m/z	Relative Intensity
58.02971	9.2
61.98876	4.4
71.58659	6.4
72.00922	7.0
72.36618	3.8
74.02476	18.1
74.03553	3.8
82.02989	6.8
84.04551	28.7
86.02490	4.9
98.02474	5.8
99.05665	4.1
101.07204	12.7
102.05624	100.0
104.39217	5.0
104.70367	3.9
109.04114	26.3
125.03548	11.9
127.05160	72.2
128.03563	74.1
145.06201	61.3
146.04620	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	146.0462
Annotation	L-Glutamate
Peak:m/z	Relative Intensity
57.03441	0.9
59.01379	6.5
64.65562	0.3
71.01382	2.7
71.33820	0.7
72.00896	0.6
72.99304	0.4
74.02477	1.3
75.00861	1.9
84.04560	0.6
85.02968	1.8
87.00869	0.9
89.02458	0.5
99.00885	1.3
100.04017	0.5
101.02463	0.6
102.05623	100.0
103.05961	4.3
111.00952	0.4
128.03558	42.4
129.01955	1.1
129.03882	2.7
146.04613	21.7
147.02985	1.0
147.04906	1.2
153.35593	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0301
Annotation	(S)-2-Methylmalate
Peak:m/z	Relative Intensity
56.74536	1.2
57.03448	25.0
59.01376	17.3
61.98831	7.3
67.48741	1.3
71.01381	15.7
71.05027	12.7
71.32201	3.2
72.99303	5.1
75.00875	2.4
83.05040	3.7
85.02953	61.5
85.03474	3.1
86.03308	1.8
87.00884	100.0
88.01251	3.7
89.02425	2.1
99.00878	3.2
101.02449	8.0
101.06087	6.4
103.04019	11.6
104.04385	1.5
129.01961	23.0
129.03749	1.3
129.05602	1.9
147.01852	2.7
147.03015	41.7
147.06638	16.0
148.03352	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0303
Annotation	2-Dehydro-3-deoxy-D-xylonate
Peak:m/z	Relative Intensity
57.03448	20.6
57.05636	3.5
58.00609	5.8
59.01381	100.0
69.98038	7.9
69.98448	8.1
71.01378	46.6
72.99312	10.8
75.00880	31.7
83.01383	7.6
85.02963	11.2
87.00895	6.5
89.02444	13.8
93.17355	3.3
94.42634	3.5
98.19968	4.4
99.00912	16.2
100.01147	3.0
101.02457	5.5
102.05613	22.1
103.05325	5.1
103.05954	66.1
104.06055	5.4
111.00887	5.1
115.54576	2.9
129.01921	10.4
129.03940	30.9
130.03984	3.6
147.03046	18.4
147.04961	18.2
150.27023	3.2
156.16579	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	144.0457
Annotation	4-formyl Indole
Peak:m/z	Relative Intensity
53.10292	0.2
59.01368	0.4
59.31165	0.3
61.90338	0.3
61.98822	0.6
67.79837	0.2
71.01379	0.9
71.25095	0.5
71.25437	0.5
72.99287	0.3
81.03495	0.3
83.05029	0.6
85.02937	0.5
87.00884	0.5
101.06111	0.8
102.03505	0.7
115.00390	0.5
116.05082	0.3
117.03496	0.3
144.04565	100.0
144.96469	0.7
145.01457	0.4
145.03114	0.4
145.04936	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	144.0457
Annotation	4-formyl Indole
Peak:m/z	Relative Intensity
59.01370	0.6
61.98829	0.3
69.79713	1.2
71.01380	1.2
72.99303	0.2
73.02972	0.2
81.03468	0.3
83.01395	0.4
83.05032	1.1
85.02963	0.4
87.00890	0.5
88.23143	0.2
99.04529	0.3
99.08163	1.1
100.07690	0.2
101.06083	1.1
102.05596	0.3
107.01189	0.2
115.00393	0.5
116.05099	1.3
116.24577	0.2
117.03474	0.3
126.03512	0.8
127.00404	0.2
127.03928	0.2
127.05136	0.3
128.21997	0.2
134.11687	0.2
139.05956	0.2
142.02969	0.4
143.05009	0.2
143.88249	0.2
144.04570	100.0
145.01465	0.3
145.03000	0.4
145.04936	9.2
145.08702	0.6
145.09860	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.0509
Annotation	Adipic acid
Peak:m/z	Relative Intensity
50.32921	1.1
59.01373	3.3
62.18330	1.1
68.95292	1.0
70.58059	3.8
71.01376	6.3
72.99295	1.2
74.02465	1.3
81.03460	16.6
82.03832	1.4
83.01387	2.1
83.05032	97.2
84.05372	6.3
85.02949	1.4
87.00867	3.5
99.08179	1.8
101.06092	100.0
102.03484	1.4
102.05610	4.0
102.06412	4.2
106.40420	1.2
115.00382	2.9
117.03434	1.5
118.03007	4.7
127.04009	4.3
128.03539	3.1
145.01477	3.0
145.05054	38.7
146.02516	19.3
146.05377	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.0622
Annotation	glutamide
Peak:m/z	Relative Intensity
58.02970	10.0
58.58667	4.2
60.04007	3.5
67.03015	3.4
67.71765	3.4
70.83630	10.8
71.01435	4.4
72.00913	7.0
74.02477	28.8
82.02991	7.5
84.04546	36.0
86.02492	5.6
87.83669	4.1
99.05637	6.7
101.07197	17.7
102.05619	94.2
109.04086	41.6
117.58980	4.6
125.03577	13.3
125.77652	3.6
127.05145	100.0
128.03555	87.0
128.05511	5.4
145.06207	77.3
146.04625	32.0
146.06503	5.6
159.94115	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	135.0304
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	0.4
58.00590	0.3
59.01377	10.7
60.01717	0.3
70.30999	0.4
70.31394	0.2
71.01383	5.2
72.01701	0.1
72.99313	14.7
73.02948	1.3
73.99644	0.4
75.00877	100.0
76.01219	2.1
81.03456	0.3
84.07317	0.1
85.02957	2.3
87.00874	1.2
89.02454	9.3
90.02776	0.2
95.95248	0.9
99.00901	0.5
101.02441	0.2
103.04031	0.3
107.05037	0.4
117.01944	2.3
118.02285	0.2
131.26555	0.1
134.03772	0.2
134.91628	3.3
135.03014	32.8
135.04469	1.7
136.01805	0.2
136.03325	1.5
136.04897	0.2
145.77376	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	135.0455
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
57.03429	1.4
59.01380	13.1
69.03442	1.4
71.01385	23.5
71.01781	1.7
71.05009	1.2
71.44736	2.0
73.02952	20.2
75.00877	3.5
76.69965	0.8
81.03474	9.0
84.02157	1.4
85.02956	65.8
86.03277	2.9
87.04536	1.1
89.02468	5.9
91.05509	1.5
93.03461	2.4
95.05070	1.6
97.58402	1.0
99.04516	2.2
101.02462	9.1
103.04020	7.8
106.03570	1.6
106.04258	24.0
107.05048	91.0
108.02170	6.4
108.05363	6.7
109.48056	1.1
115.04035	2.0
117.05602	3.2
121.03001	1.0
123.04536	9.2
134.03764	4.9
134.86581	4.9
134.89494	13.4
135.04523	100.0
135.06625	10.7
135.89485	1.6
136.04858	7.9
138.03178	1.6
139.52925	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	138.0563
Annotation	Myrothenone B
Peak:m/z	Relative Intensity
55.01878	7.8
61.97085	0.7
66.03488	1.2
67.01884	7.7
68.01393	0.8
68.99820	2.3
69.03465	1.5
69.53870	7.2
71.01369	1.5
74.22657	0.8
74.55825	0.8
78.95890	1.2
79.95741	1.1
82.02982	1.1
83.01397	7.2
85.15790	0.8
89.87987	0.8
91.73504	0.7
93.03475	5.7
94.02974	4.1
94.03802	14.7
94.98074	1.8
95.01401	4.2
95.03326	0.9
95.05035	7.3
97.02962	1.4
98.19899	1.4
108.01021	0.8
108.02197	11.0
109.02502	1.2
110.02501	4.2
110.03203	1.1
111.00888	33.4
111.02025	1.3
123.03276	75.6
124.01663	2.3
124.03619	4.6
131.67493	0.8
136.00450	4.0
137.02077	1.1
137.89195	4.4
138.01978	35.9
138.02853	9.2
138.05623	100.0
139.00400	26.8
139.01389	0.9
139.02275	1.1
139.04051	8.9
139.05104	1.3
139.05997	7.1
139.07666	1.7
154.01479	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	142.9988
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00316	12.8
59.01375	10.8
68.99825	3.9
71.01391	40.3
71.15222	4.6
80.99826	4.7
87.00874	7.7
96.72223	2.0
96.99332	14.3
112.98837	21.0
115.00416	3.8
118.13161	2.1
124.98832	42.3
125.99269	2.4
140.98326	7.4
142.99881	100.0
144.00195	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	142.9988
Annotation	3-Vinyl-4H-1,2-dithiin
Peak:m/z	Relative Intensity
53.00312	14.4
55.01880	6.2
59.01381	22.4
68.99819	5.8
70.53056	8.3
71.01382	55.0
80.99815	4.4
82.02991	5.5
83.98907	2.7
85.02969	5.0
87.00887	9.6
96.99332	16.0
97.06557	3.0
98.23145	3.0
107.04778	2.9
112.98837	26.1
115.00397	6.5
124.98827	60.1
125.99125	4.7
140.98352	7.1
142.99881	100.0
144.00215	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	133.0145
Annotation	D-(+)-Malic acid
Peak:m/z	Relative Intensity
58.56999	0.7
59.01380	1.2
61.82963	0.6
62.87506	0.6
70.52891	1.9
71.01388	52.3
72.01711	1.8
72.99313	14.3
72.99705	1.1
74.69821	0.6
86.22903	0.7
86.61832	0.7
87.00900	2.1
89.02457	6.9
115.00389	100.0
116.00740	4.3
133.01445	29.5
133.05045	1.1
134.01854	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	134.0376
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13182	0.3
54.35008	0.2
54.81940	0.2
57.03433	0.5
59.01377	2.8
66.06554	0.2
69.03455	0.5
70.05205	0.5
70.05622	0.9
71.01378	5.6
71.05004	0.4
73.02945	4.6
75.00883	0.7
81.03462	1.9
85.02957	14.7
87.00879	0.3
89.02446	1.8
99.92593	4.6
100.94659	0.2
101.02454	1.7
103.04044	1.6
104.33850	0.2
106.04235	0.9
107.03649	0.3
107.05039	1.9
115.04017	0.3
116.00737	0.3
117.05608	0.7
133.44875	0.2
134.03745	3.7
134.04736	1.4
134.86656	3.0
134.89487	100.0
135.04543	11.0
135.06631	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	134.0376
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77683	0.3
56.44947	0.3
59.01390	1.9
71.01382	3.6
71.05022	0.4
71.07848	0.7
71.08202	0.6
73.02940	2.6
75.00892	0.4
81.03470	1.6
85.02956	9.3
87.00892	0.6
89.02460	1.0
93.03483	0.6
99.04527	0.4
99.92579	4.0
101.02468	1.4
103.04029	1.1
106.04241	1.1
107.05043	1.7
116.00672	0.5
132.44179	0.4
133.02983	0.7
134.03790	11.9
134.04742	1.3
134.86623	5.4
134.89490	100.0
135.04553	12.5
135.06662	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	134.0475
Annotation	Unknow
Peak:m/z	Relative Intensity
56.63840	0.5
57.03424	0.5
59.01373	3.4
69.76912	1.3
69.77328	2.2
71.01392	6.3
71.05036	0.7
71.98643	0.5
73.02953	4.0
75.00864	0.9
81.03468	2.4
85.02959	16.4
89.02456	1.4
92.02563	5.2
101.02467	1.9
103.04001	1.6
106.04261	0.7
107.03647	24.2
107.05044	3.1
108.03988	1.1
116.00736	2.1
117.05658	0.5
134.04745	100.0
134.86568	1.7
134.89474	3.1
135.04526	5.3
135.05258	1.5
135.06674	2.0
149.02766	0.6
152.42935	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0304
Annotation	Threonate
Peak:m/z	Relative Intensity
55.01877	0.4
58.00590	0.3
59.01377	10.7
60.01717	0.3
70.30999	0.4
70.31394	0.2
71.01383	5.2
72.01701	0.1
72.99313	14.7
73.02948	1.3
73.99644	0.4
75.00877	100.0
76.01219	2.1
81.03456	0.3
84.07317	0.1
85.02957	2.3
87.00874	1.2
89.02454	9.3
90.02776	0.2
95.95248	0.9
99.00901	0.5
101.02441	0.2
103.04031	0.3
107.05037	0.4
117.01944	2.3
118.02285	0.2
131.26555	0.1
134.03772	0.2
134.91628	3.3
135.03014	32.8
135.04469	1.7
136.01805	0.2
136.03325	1.5
136.04897	0.2
145.77376	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	129.056
Annotation	2-Hydroxyethyl methacrylate
Peak:m/z	Relative Intensity
53.56421	10.6
70.01371	50.9
71.01392	9.1
73.02940	10.9
77.41092	11.3
85.02956	14.8
92.07958	9.0
128.90170	12.0
129.05617	88.7
130.08746	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	129.056
Annotation	5-Oxohexanoic acid
Peak:m/z	Relative Intensity
51.08179	7.6
57.03456	11.2
63.41415	8.2
65.19739	9.7
70.71732	12.6
73.02959	8.6
85.02966	17.3
85.06596	8.8
98.74529	7.9
109.64680	9.1
128.13548	9.1
128.90178	17.7
129.01984	14.2
129.05600	100.0
130.05893	9.9
130.08749	64.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	130.0876
Annotation	L-Norleucine
Peak:m/z	Relative Intensity
57.03440	0.6
70.47450	1.1
70.47825	0.5
85.02950	0.5
87.04536	0.6
130.08755	100.0
131.09116	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	132.0305
Annotation	L-Aspartate
Peak:m/z	Relative Intensity
59.01376	1.5
70.03004	0.4
71.01384	60.1
71.37370	0.7
72.00919	1.6
72.98896	0.5
72.99310	10.5
87.00893	1.4
88.04047	54.3
89.02454	6.8
89.04387	1.3
113.13371	0.5
114.01983	2.3
115.00387	100.0
116.00726	0.7
120.33988	0.4
132.03041	16.2
133.01445	26.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0145
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.8
70.96879	2.4
70.97205	2.0
71.01385	56.3
72.99303	10.3
76.14845	1.3
77.15299	1.4
89.02454	6.0
115.00387	100.0
116.00733	4.1
126.10532	1.3
127.32542	1.3
133.01448	30.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0145
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34517	0.5
59.01383	1.3
59.28279	0.5
70.62891	1.3
71.01382	64.7
72.01723	1.6
72.99307	12.5
87.00884	1.9
89.02451	7.2
94.55748	0.6
115.00385	100.0
115.27018	0.6
116.00722	5.1
116.14897	0.5
133.01443	31.2
133.05066	0.8
134.01788	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0352
Annotation	D-Erythrose
Peak:m/z	Relative Intensity
55.01865	9.2
58.00601	2.7
58.33289	2.2
58.98898	2.4
59.01379	48.5
61.98829	47.8
63.58913	2.3
71.01382	61.1
71.55038	3.2
71.55429	3.0
72.99312	77.1
73.01295	2.2
73.02950	25.2
75.00871	33.3
75.03371	6.2
83.01379	5.1
87.00865	2.8
89.02466	5.0
99.00869	5.2
99.92642	2.5
101.02446	17.6
101.92426	21.3
101.93013	4.1
105.98282	2.4
107.40358	2.7
118.92635	67.5
118.93333	15.6
118.99874	8.5
119.02610	4.0
119.03516	100.0
119.05004	42.5
120.03844	5.2
120.05386	5.2
132.26257	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	121.0298
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18627	0.2
58.16314	0.1
58.85695	0.1
59.89609	0.1
69.37523	1.6
76.78638	0.2
88.62399	0.2
91.01923	0.7
93.03468	1.5
94.02978	0.2
95.01405	0.3
98.20623	0.3
108.02189	2.2
120.02151	0.2
121.02972	100.0
122.02510	0.3
122.03300	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	129.0196
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.5
57.03450	2.0
58.02951	0.1
59.01374	0.2
62.22856	0.1
65.69187	0.2
67.01891	4.2
68.99816	1.0
69.00831	0.1
69.31029	0.1
70.63202	0.1
71.01382	0.8
71.30811	0.2
71.31171	0.2
72.99317	0.3
73.02953	0.7
73.58037	0.1
83.01384	0.5
85.02968	1.3
87.00885	0.1
88.04060	0.4
91.36811	0.1
95.84354	0.1
99.00902	0.4
101.02448	0.2
104.52852	0.1
111.00937	0.2
129.01955	1.5
129.03952	0.2
129.07536	0.2
130.08751	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	129.0196
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	13.9
57.03450	53.5
67.01895	100.0
68.99808	10.5
69.67110	29.7
69.67516	12.2
71.01387	21.4
72.21967	4.2
72.99323	7.9
73.02936	11.0
83.01418	12.8
84.45780	4.0
85.02956	34.5
87.00879	4.7
88.04050	10.2
98.12637	4.2
99.00951	7.0
101.02427	6.4
108.11974	4.0
110.80521	4.3
129.01990	31.3
129.03893	4.9
130.08751	47.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	117.0196
Annotation	Succinic acid
Peak:m/z	Relative Intensity
55.01871	0.4
70.23058	0.3
70.42081	1.0
70.42432	0.4
71.01395	0.3
73.02948	100.0
74.03287	3.2
90.83433	0.3
99.00886	9.1
99.92593	0.8
100.01243	0.4
116.92872	2.4
117.01950	19.3
118.02309	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	117.0196
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01208	0.3
70.21049	1.6
73.02947	100.0
74.02476	0.4
74.03272	2.6
75.49165	0.3
99.00893	9.0
99.92604	1.3
116.92874	5.7
117.01957	18.4
117.92918	0.7
118.02279	0.8
138.37488	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1179.269
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01397	0.3
85.02952	0.1
91.01927	0.1
91.62099	0.1
93.03468	1.1
95.01396	0.2
95.05041	0.1
99.04524	1.1
101.02480	0.3
101.03986	0.1
105.03470	0.7
107.01398	1.0
108.01465	0.1
108.02178	1.6
109.02974	0.4
111.19435	0.1
119.01386	0.1
119.05064	0.1
120.02197	0.4
121.02968	2.2
122.03303	0.1
123.04543	1.1
124.01655	0.1
125.02437	0.4
125.03285	0.1
127.04073	0.1
131.05035	0.1
132.02185	0.5
133.02974	2.2
134.03227	0.1
135.00867	0.3
137.02386	0.1
139.04065	0.1
145.02943	0.1
147.00858	0.1
147.04550	0.2
148.01671	1.3
149.02451	1.7
151.00378	4.3
152.00735	0.1
153.01953	0.2
159.00832	0.1
159.04460	0.1
161.02435	0.2
161.04562	1.2
163.00392	0.9
163.04008	0.1
164.01170	0.2
165.02069	0.1
167.05029	0.1
169.01419	0.2
171.04465	0.1
173.02498	0.1
174.03172	0.1
175.04024	0.6
176.01160	11.2
177.01935	100.0
178.02272	4.7
178.99873	2.4
180.00281	0.1
183.04498	0.2
187.04001	0.2
189.01935	0.1
190.02646	0.1
190.10355	0.1
190.99910	0.1
191.03491	0.2
192.00687	0.1
193.01431	0.1
198.03033	0.1
199.03906	0.3
201.01973	0.1
201.05576	0.2
203.03513	0.2
211.03976	0.4
213.01880	0.1
215.03474	0.2
216.04251	0.3
219.02945	0.4
226.02762	0.7
227.03468	1.2
228.03922	0.1
229.01334	0.1
229.04980	0.3
231.03038	0.1
239.03394	0.1
243.02972	3.9
244.03313	0.3
245.04460	0.5
246.04980	0.1
254.02182	1.0
255.02968	11.0
256.03384	0.8
257.04648	0.1
266.02094	0.1
271.02448	23.2
272.02902	2.2
273.03854	0.4
283.02432	0.5
297.03934	0.1
299.02042	0.7
300.02737	44.2
301.03436	17.9
302.03827	1.2
313.03616	0.1
321.06265	0.7
339.07260	1.2
343.04498	0.5
347.09875	0.6
363.07172	5.5
364.07239	0.5
373.05823	0.1
381.08252	63.8
382.08594	5.9
423.09314	11.4
424.09644	1.2
424.15164	0.0
463.12439	1.4
464.12637	0.1
483.11584	0.2
525.12439	4.8
526.12799	0.7
609.14709	61.6
610.15039	9.7
1083.90613	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	115.0039
Annotation	Unknow
Peak:m/z	Relative Intensity
67.28059	2.6
70.63638	8.2
71.01382	100.0
84.96210	2.4
115.00413	14.0
116.07203	12.0
121.64605	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	115.0039
Annotation	Fumarate
Peak:m/z	Relative Intensity
57.49488	2.6
59.01381	2.9
63.95088	2.1
65.80193	2.3
70.34245	7.8
71.01384	100.0
75.03241	2.4
114.93446	6.8
115.00397	13.1
116.07182	34.8
125.60001	2.6
132.78200	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	115.0039
Annotation	Formylpyruvate
Peak:m/z	Relative Intensity
50.93145	2.6
59.01369	8.3
64.69057	2.4
66.91321	2.6
68.99569	3.0
70.66399	9.2
71.01386	100.0
87.00890	6.1
88.17388	2.7
96.13441	2.9
114.93460	4.1
115.00378	15.5
115.04030	3.9
116.07188	43.4
117.35563	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	115.0403
Annotation	Ethyl pyruvate
Peak:m/z	Relative Intensity
50.64191	1.7
53.05126	1.7
57.54873	1.8
57.56154	2.0
59.01373	8.7
71.01382	82.8
71.05025	14.5
71.54758	5.0
72.01728	3.0
72.04560	2.4
73.04064	3.7
74.02472	12.0
85.02980	2.0
87.00883	2.7
87.04540	6.3
97.02963	2.6
97.93157	9.2
113.22459	2.1
114.93417	27.5
115.00375	14.1
115.04026	32.8
115.05951	4.7
116.02560	3.2
116.07190	100.0
129.62573	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	1159.641
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01452	0.1
96.96967	1.6
98.19984	0.2
117.86032	0.1
120.07498	0.1
134.98564	0.2
150.98041	0.5
152.99596	27.6
153.99945	0.3
171.00636	1.1
227.03267	2.4
233.22701	0.5
245.04323	1.6
259.20596	0.5
275.20056	0.3
277.21707	65.8
278.22052	4.7
279.23392	0.2
320.71768	0.1
413.20886	0.3
505.25665	100.0
506.26013	10.2
506.33743	0.3
663.77185	0.2
945.79108	0.2
1170.75745	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	117.0195
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	0.5
56.91969	0.3
57.06751	0.4
69.08836	0.3
69.62433	0.4
69.69710	2.5
72.19533	0.3
73.02949	100.0
74.03295	3.0
75.63260	0.3
99.00278	0.6
99.00897	8.9
100.01241	0.6
105.41383	0.4
116.55755	0.3
116.92890	0.6
117.01954	21.6
118.02283	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1123.492
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95906	60.9
96.96964	4.7
98.20603	0.2
116.71142	0.1
136.26956	0.1
137.85068	0.1
150.98038	1.0
152.99599	66.7
153.99940	0.8
171.00652	18.5
172.00975	0.2
227.00992	0.1
227.03264	3.1
245.04297	78.6
246.04633	1.8
253.21703	35.3
254.22041	2.0
255.23367	0.2
452.33887	0.1
480.30988	0.1
481.25674	100.0
482.26010	9.6
641.22266	0.1
795.23340	1.1
796.23401	0.3
869.27686	0.2
887.28009	0.2
895.45215	0.5
896.46515	0.1
1091.47375	0.1
1123.49194	22.5
1124.49390	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	113.0611
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63329	1.0
51.25005	1.0
52.09323	1.1
55.01883	5.3
57.03446	26.2
58.03801	1.5
58.19412	1.1
67.01872	1.5
67.64600	1.0
68.99574	100.0
69.03449	9.7
69.37721	1.2
69.38041	10.8
69.99889	1.0
71.01388	3.3
72.99305	1.6
83.01389	5.1
84.02163	13.6
84.99306	1.1
85.02956	87.6
86.03299	3.4
95.01401	2.9
112.98649	2.3
113.02465	28.6
114.01983	3.8
114.05618	29.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1135.642
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95906	27.7
96.96966	2.0
150.98015	0.5
152.99600	39.2
153.99988	0.5
171.00650	10.5
172.00977	0.1
192.69035	0.1
227.03238	2.0
245.04298	52.9
246.04614	1.1
253.21712	21.3
254.22054	1.3
364.55023	0.1
481.25687	100.0
482.26035	9.5
566.35297	0.1
653.39893	0.1
847.77991	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	1097.6822
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95910	17.5
80.96515	0.4
89.55480	0.1
94.98116	0.1
96.96952	0.2
98.20743	0.2
108.94284	0.1
110.85962	0.1
114.78867	0.1
122.98566	0.5
124.13152	0.1
134.98567	0.2
146.50320	0.1
147.56425	0.1
152.98404	0.2
152.99606	2.8
164.98679	0.2
168.04330	3.0
194.05873	0.1
224.06931	9.1
225.07265	0.3
230.20860	0.1
232.18170	0.1
242.07993	2.0
255.74040	0.1
261.22195	0.4
279.23279	94.3
280.23630	6.8
415.22592	0.1
459.25195	0.2
504.30917	100.0
505.31253	9.3
519.27460	0.9
577.27179	0.7
577.72870	0.2
578.27075	0.4
578.34711	4.6
579.26825	0.2
579.34845	0.5
923.92987	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	111.009
Annotation	2-Furoate
Peak:m/z	Relative Intensity
55.01629	0.7
55.01881	9.1
56.02210	0.5
67.01885	3.1
67.03376	0.4
67.67852	0.4
69.31926	0.3
69.90385	1.7
69.90802	0.8
71.01372	1.6
73.85915	0.4
74.95350	0.4
78.95908	100.0
79.95730	0.5
83.01391	34.0
84.01734	1.3
86.86732	0.4
96.76090	0.5
110.97604	3.3
110.98540	3.9
111.00894	16.1
111.02029	0.8
112.01252	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1092.6634
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95911	5.6
80.96526	0.3
152.99603	2.3
159.97003	0.2
168.04346	1.4
224.06912	0.9
226.94794	0.2
242.07973	2.8
253.09264	0.9
261.22412	0.4
277.21707	4.7
278.22058	0.7
279.23273	100.0
280.23599	8.8
411.51062	0.2
433.23505	0.9
504.30920	80.6
505.31268	9.7
505.38727	0.5
519.27277	0.7
520.27826	0.3
577.26910	0.3
578.26941	0.3
578.34680	4.2
579.35083	0.7
830.05768	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1092.664
Annotation	Unknow
Peak:m/z	Relative Intensity
78.45339	0.3
78.95909	16.8
80.55014	0.3
117.01331	0.2
122.98534	0.4
127.00362	0.3
131.09650	0.2
136.47296	0.3
151.12384	0.2
152.99597	3.3
168.04324	2.6
189.00430	0.9
191.60844	0.3
210.12997	0.3
224.06937	8.4
225.07462	0.3
234.63670	0.2
242.07999	1.7
253.09380	1.3
261.11911	0.3
277.21753	7.9
278.22171	0.4
279.23279	89.4
280.23630	6.4
311.94220	0.3
433.23645	1.1
457.06784	0.3
504.30933	100.0
505.31332	7.7
513.30035	0.3
519.27484	0.8
562.26691	0.3
578.34558	4.6
630.29639	0.2
767.25519	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1097.6814
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95908	5.4
78.98601	0.4
79.95748	0.7
80.96520	3.9
81.03470	0.1
82.96124	0.1
85.02959	0.2
87.00884	0.2
94.98101	0.9
96.96033	0.1
96.96981	0.1
97.02956	0.1
99.01612	0.1
101.02462	0.2
106.98087	0.2
110.84721	0.1
113.02439	0.1
122.97579	0.3
122.98469	0.1
125.02443	0.3
127.04005	0.1
134.97594	0.3
136.99228	0.1
148.99156	0.4
151.00336	0.1
152.98447	0.4
152.99669	1.4
159.52750	0.1
164.98656	0.9
168.04326	1.5
171.00552	0.1
178.99985	0.2
182.99666	0.1
194.53741	0.1
206.99632	0.3
216.61743	0.1
224.06941	1.1
224.98672	0.1
225.00739	1.7
226.01053	0.3
227.00374	0.1
242.07974	2.5
243.01724	0.1
243.08351	0.1
261.22287	0.4
277.21750	0.2
278.22226	0.1
279.23276	100.0
280.23618	7.3
299.04562	0.3
433.23676	0.1
459.25195	0.1
504.30908	81.7
505.31229	7.6
519.27386	0.6
520.27521	0.1
577.27051	7.0
577.73163	0.4
578.27112	6.6
578.34900	4.1
578.73193	0.1
579.27020	1.1
579.35205	0.5
971.31134	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	1085.6054
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95909	58.2
80.95666	0.1
96.96970	6.5
100.09370	0.1
108.29723	0.1
150.98030	2.2
152.99602	100.0
153.99962	1.5
171.00659	3.9
189.00359	0.2
233.34082	0.1
277.21704	0.9
370.42416	0.1
431.22031	48.1
432.22375	5.2
432.28354	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1089.2761
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01372	0.2
85.02947	0.2
91.01894	0.2
93.03461	0.7
96.96002	0.1
101.02441	0.2
107.01408	1.0
108.02220	0.1
109.02944	0.3
113.02470	0.1
113.60299	0.1
117.03429	0.1
125.02444	0.2
131.05049	0.1
132.02206	0.4
135.00900	0.7
137.02441	0.1
141.07133	0.1
143.05055	0.5
145.03009	0.1
147.04562	0.2
148.01721	0.1
151.00385	1.4
153.01945	0.3
154.04305	0.1
155.05054	0.1
157.06604	0.3
158.03696	0.1
159.03256	0.1
159.04488	0.5
163.00395	1.4
164.01158	0.3
165.01933	0.3
167.05038	0.4
168.05840	0.1
169.01421	0.2
169.06586	0.6
171.04530	0.5
173.02409	0.1
173.06114	0.7
174.03168	0.2
175.04012	0.1
178.99886	0.3
182.03714	0.1
183.04556	0.4
185.02496	0.1
185.06085	1.3
186.06476	0.1
187.04018	1.8
188.04744	0.1
189.05576	0.6
190.99854	0.2
195.04623	0.4
196.05200	0.2
197.06046	0.6
199.03983	0.7
201.05597	0.3
203.05579	0.3
203.07161	1.1
204.31281	0.1
211.03998	1.5
212.04640	0.3
213.05574	1.3
214.02599	0.2
215.03476	0.1
217.05157	0.1
226.02847	0.1
227.03491	16.5
228.03894	1.2
229.05049	6.7
230.05493	0.4
239.03551	1.1
240.04320	0.6
241.05049	1.1
242.05449	0.1
243.02948	0.2
255.02974	30.6
256.03519	3.6
257.01761	0.2
257.04535	4.1
258.04950	0.2
267.02960	0.6
269.04401	0.1
283.02481	0.4
283.05951	0.2
284.03253	42.1
285.04007	56.1
286.04376	3.6
299.05569	0.1
327.05164	0.8
357.06000	0.1
433.75241	0.1
447.10187	0.1
451.12384	1.3
452.13077	0.2
593.15112	100.0
594.15472	11.9
847.54053	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	1081.3444
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95906	0.3
83.01405	0.5
91.01912	0.2
93.03483	0.1
96.96023	0.3
97.63297	0.1
98.19877	0.2
103.71348	0.1
107.01404	1.5
108.02175	0.6
109.02953	0.7
119.01397	0.2
121.02982	0.8
123.00907	0.1
124.01651	0.1
125.02469	0.2
135.00909	0.5
139.04100	0.1
146.48067	0.1
148.01669	0.6
149.02467	0.2
151.00388	7.1
152.00743	0.1
152.99590	0.3
153.01884	0.2
153.09210	0.2
159.04541	0.1
163.00401	1.7
163.04030	0.1
164.01128	0.3
165.01964	0.1
167.05014	0.1
169.01451	0.6
171.04474	0.1
173.06003	0.1
177.01903	0.4
178.99890	3.7
180.00255	0.2
181.12376	0.2
183.04565	0.2
187.03986	0.3
189.01895	0.1
189.05576	0.1
190.02641	0.1
190.99883	0.2
191.03580	0.1
192.00679	0.2
193.01448	0.2
198.03215	0.2
199.03979	0.4
199.13411	0.1
200.04482	0.1
201.01988	0.1
201.05609	0.2
202.02696	0.1
203.03477	0.2
207.10292	0.1
211.04021	0.7
214.02563	0.1
215.03474	0.3
216.04286	0.2
217.01427	0.1
225.11510	0.1
226.02679	1.0
227.03503	1.5
228.04050	0.3
229.01219	0.1
229.05011	0.5
239.03464	0.1
241.01430	0.2
243.02974	5.7
243.12314	0.1
244.03474	0.6
245.04584	0.7
254.02209	1.4
255.02975	16.9
256.03354	1.0
257.04675	0.1
266.02039	0.1
271.02457	36.3
272.02917	3.1
273.04068	0.6
283.02390	0.8
299.02066	1.0
300.02753	70.2
301.03458	30.1
302.03824	1.4
313.03391	0.2
343.04465	0.7
381.08157	0.1
385.11725	0.2
427.13147	0.1
427.19479	0.2
443.02170	0.1
471.16708	0.7
528.77618	0.1
607.13123	0.1
608.13416	0.2
609.14734	100.0
610.15063	11.9
796.75757	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	1085.2085
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01391	10.1
85.02968	0.9
93.03478	1.8
94.22945	0.3
95.01402	2.1
99.00922	0.5
107.01405	21.8
108.01670	0.4
109.02974	3.8
111.00923	0.9
121.02970	8.7
123.00916	0.9
124.01685	6.9
125.02458	3.9
133.02969	1.2
135.00967	0.5
137.01582	0.4
137.02458	2.0
139.04018	1.1
145.02939	0.6
147.00905	0.6
147.04530	0.4
148.01682	0.6
149.02454	3.4
151.00391	59.5
152.01178	12.8
153.01955	19.7
154.02260	0.6
158.03764	0.4
159.04552	0.5
161.02473	2.6
163.00395	4.8
165.05605	0.5
169.01443	17.1
169.02791	0.6
170.01848	0.5
171.04561	1.0
173.02570	0.7
173.88690	0.4
174.03262	0.4
175.00424	0.7
175.04042	0.9
177.01974	1.1
178.99875	71.7
180.00270	3.2
181.01454	4.1
181.02916	0.5
183.04515	1.4
185.02455	1.7
186.03220	0.5
187.04044	2.1
189.01939	1.0
190.99898	1.9
191.03539	0.6
191.05624	2.2
192.00688	2.0
193.01448	5.2
193.32796	0.4
197.02496	1.9
198.03162	1.4
199.04053	2.6
201.01924	0.5
203.03595	0.8
210.03188	0.7
211.03983	3.3
212.04433	0.6
213.01947	4.8
214.02654	1.3
215.03542	1.8
225.01917	3.7
226.02753	3.6
227.03487	9.3
228.04015	0.8
229.01462	1.5
229.04944	0.9
230.01962	0.4
231.02936	2.3
237.01886	2.9
238.02721	1.3
239.03476	1.3
241.01437	4.4
242.02245	4.5
243.02985	5.9
251.03374	0.8
253.01421	6.9
254.02141	3.9
254.99155	0.7
255.02979	17.1
256.00165	2.9
256.03369	2.2
257.00925	3.0
257.04175	0.7
258.01611	1.3
259.02420	1.5
266.02130	0.8
267.03046	1.9
268.00128	0.9
269.00894	79.0
270.01328	6.0
271.02454	18.4
272.02960	1.4
273.03949	0.8
277.04541	0.4
279.03259	0.6
281.00970	3.9
282.01712	4.7
283.02530	5.5
284.03201	1.0
285.00415	1.7
287.01971	0.9
289.05048	0.5
291.06470	0.8
293.04599	0.5
295.02518	2.7
296.03033	0.9
297.00427	7.8
297.03943	1.7
298.01083	1.6
299.01965	12.9
300.02612	2.5
301.03357	2.1
303.06470	0.7
307.06100	0.5
311.02014	2.3
312.02795	0.8
313.03525	1.0
317.04538	1.0
318.05276	0.5
319.06046	0.8
321.04095	0.9
324.99887	0.5
327.01529	0.8
329.04596	1.1
330.05276	0.7
331.05991	0.7
333.03952	0.9
335.05670	0.9
337.03659	0.5
345.04163	1.2
346.04913	1.0
347.01923	1.2
347.05679	2.2
357.04117	0.9
358.04791	0.5
359.05612	1.0
361.03589	1.3
362.04086	0.8
363.05185	2.8
373.03467	1.7
374.04156	0.7
375.05045	2.4
379.04807	0.7
387.05334	0.9
389.02698	2.0
390.03775	0.5
391.04636	3.6
392.05359	1.9
393.06146	1.5
401.02979	0.5
402.03827	0.8
403.04510	4.0
404.05310	1.7
405.06213	18.8
406.06473	1.5
407.04004	3.2
408.04779	1.0
409.05496	2.6
418.03201	3.0
419.04080	70.9
420.04541	10.2
421.05634	17.2
422.05948	2.3
431.04114	4.0
432.04910	0.6
433.02057	1.4
435.03610	1.3
437.05106	2.1
447.03412	0.7
448.04285	9.7
449.05075	23.3
450.05292	2.2
451.02411	2.5
452.03741	1.0
475.03027	3.9
476.03250	0.8
479.02625	1.5
487.07095	0.7
511.06683	0.5
533.07397	0.7
537.05072	0.5
555.05219	0.4
557.07318	0.5
583.05115	2.8
584.05164	0.7
601.06238	46.0
602.06555	6.1
701.36517	0.5
741.66559	0.4
757.17102	0.8
759.08569	0.9
777.09760	25.6
778.09833	5.3
787.14172	0.5
819.10168	0.7
909.17572	100.0
910.17908	23.8
933.19781	0.5
1085.20874	94.3
1086.21167	29.7
1087.20667	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1049.6807
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02953	0.3
76.35312	0.1
78.95909	15.5
80.96533	0.5
83.01404	0.2
85.02942	0.1
86.78357	0.1
96.96970	0.2
99.00890	0.3
122.97658	0.1
122.98588	0.3
127.00383	0.6
134.98596	0.1
135.04466	0.1
145.20427	0.1
149.84026	0.1
152.98410	0.2
152.99617	2.9
164.98651	0.1
168.04326	2.7
171.00630	0.1
189.00406	1.0
190.00595	0.1
191.05650	0.2
213.49336	0.1
224.06935	8.6
225.00761	0.2
225.07379	0.2
237.22191	0.2
242.08000	1.9
255.23283	99.8
256.23621	8.5
325.54385	0.1
480.30927	100.0
481.31277	10.8
495.27261	0.7
496.27267	0.1
554.34705	6.2
555.27850	1.5
555.36011	0.9
635.28015	0.1
858.36432	0.1
948.61975	0.1
1031.48730	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0195
Annotation	DL-Glyceric acid
Peak:m/z	Relative Intensity
56.96734	0.5
59.01379	14.1
60.90157	0.5
69.40862	4.2
72.99310	56.0
73.99636	1.1
75.00876	27.6
76.01226	0.6
103.00423	1.4
105.01943	100.0
106.02282	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	105.0348
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01138	0.8
51.02378	0.9
59.01378	2.7
62.01609	0.8
63.02389	0.8
63.99539	3.5
65.00311	0.7
71.35821	0.7
72.99315	9.2
74.02094	0.4
75.00885	5.4
75.02393	1.6
75.41432	0.4
86.01630	17.1
87.02411	100.0
87.92528	0.4
88.02742	7.0
88.03202	0.7
103.01923	3.7
103.49007	0.4
103.88422	0.4
105.01952	16.3
105.03471	15.1
105.04188	0.7
106.03827	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1009.2862
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01385	5.2
71.01783	0.3
72.99310	0.8
73.02946	0.6
83.01394	0.5
85.02950	1.7
85.06609	0.8
86.00098	0.9
87.00883	3.6
87.01389	0.3
87.04526	0.5
89.01936	0.3
89.02454	3.5
92.02706	0.2
93.03468	7.9
94.03817	0.2
95.01398	0.5
95.05038	1.0
98.19875	0.2
99.00880	0.3
101.02453	3.7
105.03460	0.3
107.01408	0.2
107.04292	0.1
107.05027	0.2
107.82863	0.1
108.02196	1.2
109.02933	0.2
111.00903	0.4
113.02457	2.2
113.06108	0.5
113.20950	0.2
115.07680	0.2
119.03517	1.3
121.02974	6.6
122.03781	0.1
123.04540	3.9
129.01968	0.3
132.02200	0.3
133.02911	0.2
135.00900	0.5
135.04533	0.3
137.02472	0.1
141.01904	0.2
145.02957	1.0
146.03772	1.0
147.04491	0.3
147.08186	0.9
147.09207	0.2
148.01651	1.0
149.02484	1.2
149.06123	0.2
149.09665	0.2
150.03242	0.7
151.00385	1.0
153.53452	0.1
159.04506	0.4
163.07657	2.1
164.07887	0.1
165.05602	0.3
165.09242	0.9
167.92152	0.1
171.10251	0.2
173.06088	0.4
175.04207	0.2
175.07660	8.0
176.01173	3.1
176.08073	0.2
177.01680	0.2
177.05594	0.4
177.09236	0.5
178.99867	0.5
179.05621	0.2
190.02739	0.6
191.07141	3.4
192.07579	0.3
193.08711	33.6
194.09039	1.7
195.10327	0.3
202.13620	0.1
204.48343	0.1
219.06624	44.3
220.06992	2.6
227.03497	0.2
243.03011	0.7
254.02457	0.2
255.02966	1.6
256.03433	0.2
265.10873	0.7
271.02460	3.7
272.02930	0.3
286.85519	0.1
300.02753	8.5
301.03433	3.6
355.13962	3.5
356.14423	0.3
399.12973	100.0
400.07925	0.3
400.13330	7.9
609.14746	15.9
610.15240	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	1041.3113
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02968	0.1
78.95914	0.1
85.02946	0.1
93.03465	0.7
95.01395	0.1
95.05046	0.1
96.96022	0.2
97.02967	0.1
99.04518	1.5
101.02454	0.5
101.03992	0.1
105.03474	0.6
108.02185	1.3
120.02224	0.4
121.02970	1.1
123.04535	1.3
125.02449	0.4
127.04042	0.1
131.05017	0.1
132.02211	0.3
133.02979	1.7
140.90172	0.1
147.00894	0.1
147.04553	0.2
148.01700	0.7
149.02461	1.4
161.04559	1.4
175.04076	0.5
176.01164	11.3
177.01939	100.0
178.02275	4.1
191.03418	0.2
219.02863	0.4
243.12187	0.1
321.06284	0.8
339.07166	1.2
340.07376	0.1
347.09924	0.5
363.07184	5.4
364.07404	0.4
381.08264	59.2
382.08618	4.6
385.11722	0.1
417.50522	0.1
423.09326	11.8
424.09641	1.0
463.12436	1.5
464.12518	0.1
471.16412	0.3
483.11484	0.2
525.12445	3.5
526.12848	0.4
846.81732	0.1
902.49847	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	1007.3061
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01393	0.3
84.97893	0.1
85.02972	0.2
91.01920	0.3
93.03485	0.6
98.20756	0.2
99.04523	1.6
101.02466	0.5
107.01400	1.4
108.02160	0.1
109.02995	0.3
113.02477	0.2
117.03432	0.1
125.02471	0.8
129.24699	0.1
131.05035	0.1
132.02185	0.4
135.00880	0.8
137.02431	0.2
141.07057	0.1
143.04024	0.1
143.05040	0.5
145.03040	0.2
151.00378	1.8
153.01988	0.3
153.26036	0.1
154.04303	0.2
155.04991	0.1
157.06609	0.3
159.04514	0.9
161.02505	0.2
161.04536	0.3
161.32187	0.1
163.00375	1.5
164.01137	0.2
165.01953	0.4
167.05046	0.3
169.01471	0.2
169.06602	0.5
171.04506	0.4
173.06071	0.2
174.03276	0.3
175.04091	0.2
178.99901	0.3
183.02956	0.1
183.04507	0.4
185.06076	1.4
186.06349	0.1
187.03990	1.6
189.05603	0.6
195.04546	0.4
196.05235	0.2
197.06082	0.6
198.03185	0.1
199.04005	0.5
201.05553	0.3
208.00108	0.1
211.03972	1.4
212.04692	0.2
213.05560	1.1
214.02695	0.2
215.03546	0.2
223.03955	0.3
227.03485	15.9
228.03831	1.3
229.05043	7.4
230.05388	0.4
239.03464	1.1
240.04301	0.4
241.05020	0.9
243.02933	0.3
255.02968	32.0
256.03534	3.7
257.04526	4.4
258.04919	0.3
267.02982	0.7
269.10291	0.5
283.02505	0.4
284.03244	44.7
285.04001	60.4
286.04358	4.2
299.05685	0.2
311.11581	0.3
327.05051	0.8
357.06195	0.1
413.14526	1.2
515.93781	0.1
593.15088	100.0
594.15424	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	1007.536
Annotation	Unknow
Peak:m/z	Relative Intensity
71.71799	23.2
76.91924	12.5
115.42504	12.6
116.92884	28.0
117.25751	11.5
320.55444	13.8
353.61594	13.5
428.93503	13.7
447.71280	14.8
521.24982	100.0
582.58490	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	997.6236
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07024	0.8
69.44742	0.4
69.45137	1.6
70.06571	0.7
71.07359	4.6
79.05469	0.7
81.07035	2.1
83.04975	0.2
83.08612	0.4
86.09688	43.0
87.09995	0.3
89.03563	0.2
91.05459	0.7
93.07017	1.0
95.08583	1.7
97.06473	0.3
98.98450	2.6
104.10722	86.7
105.06999	0.3
105.11069	0.8
107.08576	0.4
109.10134	0.6
112.45029	0.2
119.08549	0.2
121.10140	0.4
123.11602	0.3
124.99978	23.7
133.10132	0.3
135.11696	0.3
137.13168	0.2
143.01042	0.5
145.98904	0.2
149.02295	0.3
163.01532	0.6
181.02559	0.3
184.07301	91.9
185.07651	0.8
193.04956	0.5
199.03755	0.2
258.11078	0.9
337.27338	1.2
378.23938	0.2
443.25470	0.4
502.32867	8.6
503.33420	0.3
520.33881	100.0
521.34149	4.5
538.43195	0.3
796.72223	0.2
926.34979	0.2
997.59705	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	998.2748
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03416	14.2
69.55719	1.1
69.56149	1.3
70.06579	1.4
71.04978	2.9
72.08141	0.4
73.02890	1.5
81.03402	21.0
83.01326	0.5
83.04957	0.7
84.08131	0.7
85.02888	57.1
86.09705	0.7
87.00816	6.0
91.03985	0.4
95.93867	0.3
97.02872	25.0
99.04435	23.6
103.03922	15.2
105.01847	3.5
109.02858	43.3
110.03175	0.4
117.01841	0.3
123.04416	0.4
127.03892	100.0
128.04205	0.5
129.01817	3.6
129.10217	0.4
133.02849	1.0
135.04431	0.4
145.04936	15.2
147.02859	3.5
147.08002	0.4
151.03946	0.4
155.08083	0.3
159.02855	3.7
161.05965	0.4
163.05983	5.8
163.07379	0.6
169.04915	2.3
172.05167	0.6
173.05966	0.4
175.07512	0.9
179.03363	19.8
180.03622	0.4
185.05988	1.2
187.05998	6.6
188.04643	4.6
193.04939	1.0
195.02843	0.4
195.45004	0.3
203.06999	14.9
205.08565	0.4
211.05933	0.6
213.03902	14.1
217.04962	0.4
229.07034	8.9
231.04887	8.4
231.06529	11.1
235.06070	0.5
249.07709	14.2
253.07050	3.3
255.05103	0.8
271.08133	1.2
273.06018	4.6
291.07068	17.0
321.06033	0.4
339.07010	2.0
342.20142	0.4
357.08084	7.3
358.08624	0.4
375.09152	61.3
376.09482	1.2
391.06271	0.6
393.10193	35.7
394.10587	0.9
411.12741	1.8
452.47086	0.3
571.04419	0.5
571.12885	8.8
581.37286	0.3
997.55139	0.5
1016.21454	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	995.5533
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06568	0.2
71.62393	0.2
79.00789	0.2
79.05460	0.4
81.07039	0.3
93.07015	0.3
95.08591	0.3
96.30632	0.2
121.10121	0.3
133.03416	0.2
145.48701	0.1
153.00539	0.2
156.03604	0.3
158.03258	0.2
185.04182	0.5
203.05226	1.0
219.21307	0.2
221.97165	0.2
259.07913	0.6
263.62277	0.2
265.11719	0.2
273.16974	0.2
294.99420	0.2
309.19153	0.2
314.19717	0.2
347.21732	0.2
376.82422	0.2
379.84430	0.2
495.16925	0.2
507.26520	0.6
507.76602	0.5
508.26108	1.5
508.76288	1.1
509.27133	100.0
510.27521	4.9
649.69891	0.2
792.28760	0.2
995.51776	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	997.6231
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07048	0.2
69.84494	0.4
70.06585	0.1
71.06966	0.1
71.07359	2.2
76.81490	0.1
81.07024	0.4
83.08598	0.1
86.09689	26.2
86.32383	0.1
87.10036	0.2
91.05519	0.1
93.07037	0.1
95.08580	0.3
98.20821	0.1
98.98442	1.9
104.10028	0.1
104.10724	2.5
105.07075	0.1
109.10114	0.1
124.99979	17.9
143.01015	0.2
158.47366	0.1
160.75955	0.1
163.01575	0.1
166.02623	0.2
184.07303	100.0
184.83206	0.1
185.07686	0.7
246.73532	0.1
258.10904	0.1
337.27362	0.2
502.32822	2.0
503.33292	0.1
520.33893	28.2
521.34222	0.9
877.35999	0.1
946.49048	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	986.6017
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03419	5.3
69.07055	13.8
69.48478	4.7
71.01324	0.7
71.04975	2.6
73.02886	2.7
79.05474	26.5
81.03398	3.6
81.07041	35.9
82.94853	0.5
83.04962	4.1
83.08607	7.2
85.02889	7.4
85.06527	9.9
87.08087	0.6
91.03931	1.7
91.05461	35.9
93.07024	26.4
94.07353	0.7
95.04940	5.2
95.08588	21.4
96.08916	0.6
97.02883	5.0
97.06504	5.1
97.10141	4.3
97.46695	0.5
99.04425	1.7
99.08077	1.8
103.03941	0.7
103.05426	1.2
103.07533	0.6
104.06225	1.1
105.04513	0.5
105.07010	21.4
107.04948	2.2
107.08572	18.2
109.02889	0.7
109.06487	5.4
109.10133	9.1
111.04423	1.8
111.08066	7.0
115.03891	1.4
115.05386	0.8
117.06995	7.7
119.08560	12.9
121.06462	1.2
121.10120	9.2
123.08071	2.5
123.11663	2.2
125.09624	5.1
127.03886	1.3
127.07526	7.6
128.06163	0.8
129.05457	1.2
129.06993	2.9
129.09065	1.5
130.07756	0.5
131.08540	10.3
133.10104	100.0
134.10431	1.3
135.08046	2.1
135.11673	6.3
137.09584	0.7
137.13228	0.8
141.06927	0.5
141.09076	1.0
143.08536	3.2
144.09302	0.6
145.04944	1.1
145.10097	8.8
147.08031	3.6
147.11655	7.6
149.09590	24.8
149.13243	2.2
151.11108	1.2
153.09065	6.2
155.08566	1.0
157.10100	2.9
159.11671	5.5
161.13252	3.3
163.11124	2.3
163.14803	0.9
169.08656	1.1
169.10110	1.7
171.10144	11.3
171.11650	2.7
173.04471	0.7
173.09578	0.6
173.13179	4.7
175.14839	1.0
181.10098	0.7
183.11652	1.9
185.13211	2.4
187.09644	0.7
187.11165	0.9
187.14784	1.4
189.11185	16.0
189.12892	0.9
191.14256	0.6
197.13266	1.5
199.14850	1.3
201.16377	1.2
210.14174	0.5
213.16328	0.8
217.15810	0.6
219.17465	1.9
227.12694	3.2
227.17938	0.6
229.14229	1.3
229.19504	0.9
235.16899	0.5
239.17947	1.4
243.21091	1.2
247.20605	0.7
257.18900	4.5
259.20593	2.0
261.22086	3.5
267.15924	1.1
269.17450	1.9
275.20026	15.5
277.18378	0.6
277.21625	0.7
293.21198	1.2
309.20364	0.7
317.24960	1.3
329.24710	0.6
331.22708	2.1
333.24255	1.3
335.25745	42.7
336.26056	1.2
337.19992	9.2
349.23639	15.0
350.24051	0.8
351.18024	1.3
351.25262	0.7
367.24884	0.6
485.28851	16.0
486.29141	0.8
489.35843	1.5
505.35501	2.6
515.37042	1.7
529.38831	6.5
545.38049	1.0
555.39905	1.0
569.41888	3.4
609.45032	36.7
610.45367	2.4
627.45941	6.9
628.46387	0.6
986.57770	0.7
987.56927	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	986.6033
Annotation	Unknow
Peak:m/z	Relative Intensity
68.42317	0.7
69.03412	5.9
69.07055	18.8
71.01293	0.8
71.04965	3.5
71.08597	0.7
71.21342	1.1
71.21652	1.0
73.02879	2.1
77.03912	1.2
79.05479	51.9
81.03399	8.9
81.07042	68.4
83.04972	6.6
83.08607	11.5
85.02885	11.7
85.06522	2.6
91.03928	4.1
91.05463	41.2
93.07027	59.9
95.04940	8.2
95.08588	45.8
97.02872	6.2
97.06511	8.2
97.10148	6.5
99.04448	1.8
99.08066	2.4
103.05405	1.0
105.03411	0.9
105.04502	1.4
105.07010	32.3
107.04938	3.5
107.08575	35.5
109.02844	2.1
109.06490	4.7
109.10135	29.0
111.04402	1.0
111.08034	3.1
113.09609	1.2
115.05449	1.5
117.06982	15.3
119.08556	26.1
121.06485	2.8
121.10119	26.0
122.10431	0.9
123.07997	3.6
123.11701	5.3
125.09623	4.5
127.03887	3.6
129.05489	1.7
129.06981	5.6
130.07755	1.8
131.08542	22.3
133.06462	0.8
133.10103	20.9
135.08040	2.6
135.11673	15.4
137.09583	3.3
137.13188	1.6
139.11230	0.9
141.06947	1.6
142.07693	0.7
143.08540	6.1
145.04967	2.6
145.10104	17.3
147.08078	0.9
147.11653	13.7
149.09593	7.9
149.13240	8.5
151.11142	1.0
155.07294	0.7
155.08569	2.1
157.10078	5.6
159.11661	13.5
161.09540	1.1
161.13248	6.0
163.05884	1.5
163.11115	4.1
163.14772	2.8
165.12769	1.4
169.10095	2.9
171.11693	3.7
173.04417	3.3
173.11696	3.2
173.13231	7.2
175.11053	1.3
175.14716	2.3
177.12743	2.5
179.14232	1.5
183.11624	2.8
185.13252	3.3
187.14764	3.0
189.11189	2.5
189.12744	1.4
189.16292	1.8
195.11743	1.1
195.13748	1.2
197.13168	2.3
199.14801	2.1
201.16275	1.5
203.14310	1.1
205.12221	0.9
211.14769	1.1
215.17963	1.2
217.15817	1.8
219.17395	1.8
227.12726	7.9
229.14270	13.9
229.19487	0.8
233.15237	1.0
235.16832	1.1
239.17981	3.6
241.19551	0.8
243.12189	1.0
243.21017	3.3
247.20526	1.8
255.15826	2.2
257.18933	6.7
259.20447	2.8
261.22083	11.0
267.15674	1.1
269.17398	8.7
275.20023	24.3
277.21674	1.6
291.19537	3.1
293.21033	2.8
297.22055	0.8
299.23502	1.0
307.19794	0.8
309.20551	6.7
317.24738	2.1
331.22668	2.5
333.24188	3.0
335.25729	100.0
336.25977	1.8
349.23688	27.4
351.25269	1.2
367.24725	2.6
387.24936	0.8
413.21371	0.8
431.31616	0.8
437.33606	1.0
447.96494	0.8
489.35785	11.1
493.27454	0.9
505.34866	1.1
511.28302	0.9
515.37305	8.6
529.38788	33.2
530.39020	2.5
533.37250	1.0
535.40906	1.1
543.40356	2.5
553.42310	0.9
555.40710	1.3
569.41949	28.0
570.41956	1.3
586.41675	0.8
609.45013	41.5
610.26904	0.9
610.45013	2.0
627.46149	11.1
655.42206	1.0
673.42401	1.4
753.48914	0.8
771.49500	2.2
986.56830	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	978.6015
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07054	0.5
71.07363	4.9
71.08616	1.9
71.62869	0.4
81.07021	0.6
83.08582	0.5
85.10164	1.0
86.09691	44.8
87.10035	0.5
95.08567	0.8
98.98443	3.1
104.10726	93.7
105.11070	0.7
124.99986	23.8
163.01485	0.7
181.02562	0.4
184.07309	97.1
185.07668	0.9
230.68993	0.3
258.11035	1.0
313.27350	2.6
395.15912	0.4
419.25415	0.8
478.26050	0.5
478.32892	9.4
496.33896	100.0
497.34177	3.5
614.18939	0.4
767.59210	0.4
946.06995	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	970.609
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03401	3.4
69.06712	1.3
69.07054	16.6
69.67836	2.0
69.68247	3.8
71.04969	4.0
71.08605	2.3
73.02898	3.4
79.05476	50.7
79.94754	0.9
81.03407	3.2
81.07038	66.8
83.04958	2.6
83.08596	8.8
85.02887	10.7
85.06526	2.8
91.03944	6.3
91.04878	1.5
91.05460	38.9
93.07022	62.9
94.75330	0.9
95.04955	7.1
95.08586	52.1
97.02879	8.7
97.06487	4.5
97.10143	3.9
98.20743	1.8
99.04449	1.2
99.08067	2.5
103.05469	1.0
105.04529	1.1
105.07008	36.7
107.08569	37.6
109.02884	1.1
109.06492	3.7
109.10135	21.4
109.10874	0.7
111.08044	2.7
111.11706	1.2
115.05427	1.5
117.06995	12.9
119.07681	0.9
119.08552	29.3
121.10117	30.2
123.08015	1.6
123.11686	5.7
125.09595	1.8
127.03873	2.9
128.06175	1.1
129.06970	5.2
131.08537	20.3
133.10101	24.0
135.08051	2.1
135.11650	22.3
137.09576	2.4
137.13249	1.9
141.06985	1.0
143.08539	5.8
145.04970	2.1
145.10103	18.8
147.11658	17.4
149.09552	1.9
149.13220	9.5
151.11124	1.8
155.08505	1.7
157.10081	6.1
159.11664	15.7
161.13223	10.4
163.05980	2.8
163.11118	1.9
163.14777	3.4
165.12796	1.3
171.11618	6.9
173.13213	9.7
175.14766	5.5
177.12747	1.3
177.16367	1.9
185.13245	6.0
185.17926	1.0
187.14806	8.6
189.12761	1.1
191.14200	1.4
199.14749	5.4
201.16385	2.1
203.17867	1.6
205.15868	3.7
213.16447	1.8
215.17874	1.1
219.17413	1.1
223.14716	1.0
231.17366	1.2
241.19537	7.8
243.21129	2.0
257.18954	2.4
259.20535	22.7
261.22049	8.0
271.20349	1.1
275.19928	1.5
277.21548	18.1
293.21353	1.7
315.22842	1.1
317.24557	1.8
333.24194	15.0
335.25726	100.0
336.26117	2.5
337.27332	3.1
351.25232	38.7
351.29544	2.1
391.28433	1.0
405.26321	1.2
414.30237	1.3
479.38803	1.0
489.35693	1.3
508.33920	1.0
519.41888	1.4
529.38684	4.0
551.28064	1.0
553.42303	1.3
571.43530	1.4
576.25269	0.9
593.45453	4.1
611.46570	64.8
612.46375	2.7
629.47327	2.0
676.35425	0.9
755.50537	2.2
773.51611	1.6
970.57513	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	970.6076
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03405	2.7
69.07054	21.4
69.41343	10.3
71.04962	4.7
73.02891	4.3
79.05476	66.0
81.03396	3.4
81.07041	82.2
83.04974	3.2
83.08604	10.4
85.02884	14.0
85.06520	3.5
91.03938	10.9
91.05460	65.7
92.05774	1.7
92.41628	1.3
93.07024	78.3
95.04948	10.6
95.08586	64.9
97.02871	7.5
97.06511	5.8
97.10164	4.7
99.04409	1.5
99.08030	2.5
103.05450	3.4
105.04507	2.5
105.07009	66.3
107.04954	2.3
107.08572	41.9
109.02926	1.1
109.06487	3.5
109.10133	26.1
111.08057	2.6
111.11735	1.5
115.05437	2.4
117.06992	22.9
119.08559	48.8
121.10123	36.0
122.19871	1.1
123.08037	2.3
123.11668	8.0
127.03889	3.9
128.06253	1.6
129.06953	10.3
131.08534	32.2
131.09505	2.1
133.10110	43.6
135.08047	2.9
135.11665	23.7
137.09512	2.2
137.13228	2.5
142.07747	2.5
143.08534	14.3
145.04944	5.1
145.10098	30.9
147.11665	32.4
149.09625	1.9
149.13237	14.5
155.08499	3.5
157.10115	11.5
159.11658	26.8
161.13226	22.9
161.14566	1.7
163.05997	7.5
163.14781	4.6
165.12732	1.6
169.10110	4.4
171.11674	14.5
173.09578	1.2
173.13229	14.9
175.14790	10.2
177.12772	1.3
181.10179	1.8
183.11685	5.4
185.13206	10.5
187.14792	5.1
189.12762	1.2
189.16341	2.3
191.17923	1.6
197.13237	3.4
199.14777	6.6
201.16359	4.9
209.13138	2.4
213.16402	4.1
215.17871	2.7
217.15797	2.1
229.19516	2.1
231.17397	1.6
231.21043	4.3
239.17830	2.8
241.19528	20.1
243.21068	5.2
257.19019	7.5
259.20511	56.3
261.22137	11.8
271.20572	2.9
273.22052	1.5
275.20050	2.0
301.21524	1.5
313.21436	1.5
315.23172	4.6
331.22665	3.3
333.24158	47.2
333.28159	2.4
334.24466	2.6
334.51514	1.2
335.25723	77.6
336.26013	1.6
337.27341	7.1
339.26563	1.8
349.23792	1.4
351.25272	1.9
367.22491	2.1
385.23679	1.7
435.32126	1.4
441.26324	1.7
477.28607	1.3
489.35822	1.8
503.37418	2.1
508.94498	1.5
519.41803	6.7
527.36902	1.4
537.43042	2.5
541.39081	1.6
593.45673	16.2
594.45416	1.9
609.44653	1.9
611.46570	100.0
612.47040	7.1
623.46405	1.6
701.46936	4.3
719.48291	2.9
737.49622	2.6
755.50635	3.6
970.57300	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	956.6283
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05492	94.5
69.03400	3.9
69.07053	36.2
69.25970	9.1
69.26401	6.7
71.04956	3.6
71.23853	1.4
73.02895	8.2
79.05476	44.4
81.03419	1.5
81.07043	100.0
82.07357	1.8
83.04969	3.8
83.08601	18.9
85.02893	25.4
85.06503	2.6
85.10204	1.3
91.03935	18.2
91.05457	29.3
91.76868	1.3
93.07029	56.8
95.04934	4.3
95.08587	79.4
97.02866	12.7
97.06509	4.6
97.10160	9.4
98.21490	2.8
99.04441	2.8
99.08071	2.8
105.07006	23.2
107.08575	31.0
109.10138	31.3
111.08042	3.4
111.11694	2.5
117.06998	5.9
119.08560	19.2
121.10119	28.4
123.08046	1.6
123.11724	9.8
127.03905	6.7
128.06067	1.5
129.07016	2.6
130.63974	1.4
131.08559	12.8
133.10115	16.4
135.07956	1.3
135.11655	19.7
137.13229	5.5
139.11176	1.5
143.08534	3.5
145.04961	7.3
145.10121	12.5
147.11670	10.9
149.13245	12.0
151.11194	1.8
159.11717	7.3
161.13246	10.6
163.05983	10.7
163.14774	6.7
171.11671	3.1
173.13216	6.8
175.14795	5.4
177.16403	1.6
187.14815	4.4
189.16495	1.9
197.13248	1.5
201.16486	2.1
215.17885	1.4
216.87450	1.5
231.20973	1.4
233.22470	1.7
243.21066	6.4
245.22574	2.2
259.20618	7.0
261.22098	22.9
263.23697	5.5
281.20709	1.5
317.24512	4.3
333.24176	5.0
335.25735	76.8
336.26099	2.4
337.27301	84.2
339.28754	8.5
491.37646	2.2
523.44812	6.1
541.46094	2.3
597.48663	38.5
615.49786	57.9
616.49878	2.9
758.03894	1.6
780.38269	1.7
879.21796	1.6
901.54547	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	954.6126
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05492	50.3
69.03393	2.1
69.07053	12.1
71.04963	0.7
71.10738	1.0
73.02905	4.2
75.13577	0.8
79.05477	33.1
81.03372	1.2
81.07040	55.5
83.04963	1.9
83.08595	6.6
83.09042	1.0
85.02885	16.1
85.06538	1.3
86.87596	0.8
91.03941	11.8
91.05465	18.1
93.07025	40.1
95.04945	4.4
95.08591	43.8
97.02865	8.0
97.06519	2.2
97.10149	3.0
99.04424	0.8
99.08049	0.9
100.92360	0.7
105.07011	17.3
107.08572	24.4
109.06496	1.6
109.10132	22.4
111.08006	1.8
113.89549	0.7
117.07000	6.4
119.08554	14.4
121.10123	21.8
123.08027	1.2
123.11681	8.8
127.03904	5.3
129.05502	0.9
129.06969	1.5
131.08546	10.8
133.10106	12.9
135.11667	15.3
137.09579	1.7
137.13205	3.2
139.11119	0.7
143.08530	2.3
145.04927	6.4
145.10089	8.4
147.11665	9.7
149.13234	9.7
150.64841	0.8
151.11160	0.9
151.14784	1.2
153.72169	0.7
157.10054	1.2
159.11662	8.0
160.74959	0.8
161.13234	6.4
163.05980	8.9
163.14774	5.3
165.12799	0.8
171.11649	2.6
173.13228	7.3
175.14793	2.9
177.12650	0.8
177.16341	2.0
185.13185	2.4
187.14751	3.0
199.14789	1.8
201.16364	1.2
203.17958	1.4
215.17889	1.1
223.14799	1.0
239.17781	0.9
241.19698	4.3
243.21028	5.4
259.20502	10.9
261.22107	19.4
263.23685	1.5
268.76697	0.7
299.23499	1.1
317.24634	3.7
327.26633	0.9
330.64569	0.8
333.24170	10.1
335.25735	100.0
336.26019	2.4
337.27264	14.6
515.37433	1.0
521.43634	3.7
539.44659	1.1
543.40442	1.1
595.47070	20.7
613.48114	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	954.6132
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05493	59.5
68.59328	0.5
69.03413	3.0
69.07056	14.2
70.81882	1.1
70.82240	1.1
71.04963	1.8
71.08618	0.5
73.02902	4.4
74.39828	0.6
77.03871	0.5
79.05479	36.9
81.03403	1.5
81.07041	64.7
83.04974	1.2
83.08597	7.2
85.02891	18.3
85.06508	2.2
91.03934	11.6
91.05463	24.3
93.07027	46.9
95.04944	4.1
95.08589	51.8
96.04513	0.6
97.02873	7.9
97.06520	2.8
97.10143	3.5
99.04424	1.4
99.08064	1.5
105.04511	0.8
105.07011	21.5
107.08575	25.8
109.02916	0.9
109.06499	1.6
109.10132	24.6
111.08044	1.1
111.11678	0.8
113.09635	0.7
115.03891	0.6
115.05426	0.7
117.06997	6.8
119.08558	16.8
120.37333	0.6
121.10123	23.5
123.08061	1.3
123.11697	9.7
125.09636	0.9
127.03884	4.9
129.06958	1.6
131.08551	13.4
133.10107	16.3
135.11668	16.8
137.09599	0.8
137.13228	3.0
139.11115	0.5
143.08516	2.4
145.04936	6.0
145.10106	11.4
147.11667	11.0
149.09563	1.1
149.13235	10.1
151.14793	1.3
157.10126	2.0
159.11665	9.5
161.13234	8.8
163.05984	8.1
163.10992	0.6
163.14769	5.1
165.12711	0.8
167.14340	0.6
171.11629	3.4
173.13225	8.5
175.14749	3.4
177.12744	1.3
177.16336	2.0
180.08690	0.6
185.13229	2.8
187.14761	4.1
189.12665	0.5
189.16341	1.4
191.17923	0.8
195.11557	0.7
197.13286	0.6
199.14775	1.8
201.16353	1.7
203.17937	0.8
211.14835	0.6
213.16362	1.1
215.17906	0.9
217.19400	0.6
225.16389	0.7
229.19450	0.7
231.21013	0.6
233.22487	1.2
236.03464	0.6
241.19635	3.8
243.21060	5.6
245.22586	0.6
257.18933	0.6
259.20538	9.1
261.22086	19.9
263.23645	1.2
273.22101	1.3
279.23236	0.8
280.24002	0.5
285.22006	0.7
287.23672	0.7
289.21564	0.8
297.06549	0.5
299.23923	0.8
301.25024	0.6
303.23132	0.7
307.22433	0.5
313.25104	0.8
315.23190	0.9
315.26633	0.8
317.24829	3.3
320.76682	0.7
323.25650	0.8
333.24203	10.3
335.25739	100.0
336.26083	1.8
337.27286	12.2
357.53708	0.6
503.36359	0.7
503.42722	1.0
521.43500	3.9
525.39386	0.7
529.38824	1.0
539.44324	1.5
543.40332	1.1
595.47083	19.5
596.47296	0.7
613.48132	29.7
614.48529	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	949.6236
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05493	0.6
67.17446	0.2
69.07059	0.3
69.98296	1.0
70.53798	0.2
71.07372	4.1
71.08615	1.5
79.05465	0.3
81.07040	0.9
83.08619	0.3
85.10178	0.9
86.09692	45.3
87.10017	0.2
95.08605	1.0
97.10143	0.3
98.98453	2.4
104.10729	91.5
105.11049	0.7
109.10146	0.4
124.99988	22.7
130.01611	0.2
143.01082	0.4
163.01588	0.7
166.02620	0.2
171.50826	0.2
181.02623	0.3
184.07315	94.5
185.07620	0.9
239.62592	0.2
258.10974	0.9
291.05634	0.2
311.26019	0.3
313.27295	2.7
335.25751	0.2
419.25546	0.7
478.32864	7.9
479.33206	0.4
496.33905	100.0
497.34244	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	938.5606
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03928	1.6
67.05493	20.7
67.55676	0.2
69.06713	0.4
69.07058	5.8
69.41908	0.6
69.42320	2.1
71.04975	0.7
79.05476	10.6
81.07042	23.7
82.07382	0.3
83.04940	0.7
83.08607	5.6
83.09093	0.4
85.06510	1.1
91.05462	15.1
93.07027	13.0
95.04931	0.9
95.08589	21.7
96.08935	0.5
97.06520	2.4
97.10155	1.9
97.32436	0.2
99.08060	0.7
102.70478	0.2
105.07014	4.1
107.08572	7.2
109.06514	0.6
109.10136	10.0
111.08048	1.9
117.06985	1.1
119.04920	21.0
119.08553	3.3
120.05257	0.4
121.10118	10.6
123.08076	0.4
123.11684	2.7
125.09581	0.5
131.08542	2.6
133.10107	6.7
135.07980	0.2
135.11670	6.0
137.09567	1.1
137.13249	0.4
139.11211	0.3
145.10120	2.4
147.04381	100.0
147.11674	1.7
148.04749	2.2
149.09610	0.4
149.13217	2.2
151.11159	1.4
153.12802	0.3
155.10641	0.3
157.10097	0.3
159.11678	1.6
161.13235	0.4
165.05469	1.7
173.13187	1.0
177.12701	0.3
187.14761	0.5
195.13770	0.4
213.16216	0.3
215.17888	1.7
221.08064	0.3
231.17430	0.3
233.18921	2.2
238.53838	0.3
251.19952	2.3
289.21558	0.4
305.21265	0.5
307.22623	6.3
309.24365	0.3
323.22287	0.7
325.23676	22.8
326.24057	0.5
453.26294	1.5
471.27353	14.4
472.27481	0.5
475.33859	0.3
489.28558	3.0
539.41028	0.9
557.41931	10.0
558.42157	0.9
575.42957	40.5
576.43121	2.5
593.44006	0.9
635.31824	0.3
703.45557	0.5
721.46185	0.6
739.47650	7.6
740.47900	0.8
903.53320	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	936.5546
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03929	0.9
67.05495	16.5
68.45322	0.4
69.03415	1.1
69.07063	5.5
70.06578	0.9
71.04967	0.9
71.08045	0.9
71.08624	9.0
72.08126	0.8
73.02910	0.8
73.77014	0.4
79.05481	9.2
81.03408	19.3
81.07045	19.1
83.04945	1.3
83.08607	8.4
85.02898	2.2
85.06541	0.7
85.10162	5.7
86.09688	1.0
87.04459	0.9
89.06016	3.0
90.47610	0.4
91.03947	1.5
91.05471	7.9
93.07027	11.8
95.04961	7.1
95.08591	18.2
97.02875	1.4
97.06520	1.3
97.10163	2.6
98.98447	3.2
99.08076	0.6
99.11727	0.5
105.07015	9.2
107.04940	1.5
107.08584	7.3
109.10145	9.3
111.04416	0.7
111.08068	2.0
111.11706	0.6
117.07026	1.9
119.08572	5.9
121.06480	1.7
121.10133	6.2
123.04436	0.8
123.08013	0.7
123.11709	3.1
124.01580	1.3
125.09593	1.4
127.03932	0.8
128.06186	0.5
129.07019	2.3
131.08548	4.7
133.06479	0.8
133.08569	1.7
133.10115	4.0
135.08015	0.5
135.11668	3.9
137.09624	0.6
137.13243	0.8
141.10237	0.4
142.02631	1.2
142.07733	0.5
143.08586	0.6
145.04947	0.6
145.06477	0.4
145.10117	2.8
147.08049	2.8
147.11664	3.7
149.09607	2.0
149.13240	2.7
155.01041	4.5
157.10098	2.5
159.11691	1.7
161.13303	2.3
163.06052	0.9
163.11157	0.6
163.14801	1.1
167.10559	0.5
169.10056	0.6
171.11603	0.7
173.09560	0.6
173.13243	1.4
175.11182	1.9
175.14679	0.5
177.11192	0.9
177.12596	0.6
177.16391	0.6
183.11525	0.5
187.14853	1.3
189.11186	1.0
193.12210	5.3
198.05299	1.1
201.16414	0.5
216.06282	2.6
225.12650	1.0
227.12656	1.9
235.13126	0.5
239.23692	1.7
243.21121	1.3
249.14868	0.6
251.14148	0.4
257.24744	0.5
261.22144	5.6
261.94794	0.4
267.15875	25.0
268.16232	0.8
273.14911	0.4
282.27863	10.7
291.09814	0.4
297.60071	0.4
301.14215	0.8
301.25314	1.9
309.16843	1.3
313.27316	100.0
314.27707	4.4
317.24817	0.6
335.25751	22.9
336.26123	0.9
363.17789	0.4
393.23950	8.5
421.25455	0.5
435.27246	0.8
435.32516	1.1
436.28177	33.4
437.28326	1.2
453.33945	1.8
454.29221	46.0
455.29492	1.6
461.96127	0.5
471.34830	0.7
509.35849	0.6
527.28961	0.5
527.37262	20.6
528.37555	1.8
545.38306	21.9
546.38312	1.4
559.39490	1.0
569.38281	2.9
577.40411	0.4
587.39069	0.7
611.38995	1.1
621.12097	0.4
635.39349	1.0
653.40552	0.8
671.40570	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	928.5969
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03915	2.8
67.05492	90.4
69.03401	5.3
69.07056	29.2
71.04974	3.0
71.08586	2.5
73.02908	8.5
77.03896	1.2
79.05477	43.2
81.03385	2.1
81.07043	100.0
83.04955	3.4
83.08604	17.2
85.02885	32.9
85.06513	4.9
85.10152	1.7
91.03937	23.9
91.05460	30.7
93.07024	52.8
95.04933	3.8
95.08586	71.1
97.02866	18.2
97.06503	5.3
97.10143	6.2
99.04453	2.2
99.08066	4.9
105.07011	20.0
107.08579	29.3
109.02855	1.5
109.06460	2.2
109.10136	28.5
111.08004	2.8
111.11672	1.7
115.03886	2.4
117.06981	4.5
119.08549	24.1
121.09304	2.1
121.10119	28.8
121.11005	1.5
123.08052	1.9
123.11684	13.4
125.09612	3.0
127.03896	8.4
129.06960	1.9
131.08539	10.6
133.10103	17.5
135.11647	21.9
137.09604	1.9
137.13239	5.7
139.11162	1.5
143.08472	1.8
145.04922	10.9
145.10078	10.6
147.11652	17.1
149.13217	12.2
151.11154	2.7
151.14757	3.2
157.10101	1.8
159.11688	7.5
161.13211	12.2
163.05988	13.5
163.14766	5.1
165.16441	1.5
171.11620	1.7
173.13243	7.2
175.14795	4.4
185.13211	1.3
187.14810	3.4
199.14836	1.4
203.14334	1.3
205.19489	1.2
215.17877	4.8
217.19472	8.3
233.18915	9.1
235.20546	8.1
241.19315	2.0
243.21188	5.5
259.20407	5.9
261.22122	16.8
279.23178	1.4
307.22543	5.2
309.24185	93.4
311.25766	6.5
315.22980	1.7
317.24716	2.5
333.24130	4.9
335.25735	87.1
336.26306	1.6
337.27234	7.1
348.38605	1.1
353.26736	1.5
406.69916	1.2
434.52359	1.1
477.41098	1.7
495.41873	6.7
517.37921	1.2
569.45508	38.8
587.46527	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	932.6285
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03898	0.8
65.33042	0.3
67.05489	24.7
69.03414	1.7
69.07053	8.7
71.04946	0.9
71.08615	16.5
71.16927	0.6
71.17245	0.3
73.02903	3.4
75.04446	0.5
79.05474	13.4
81.03374	0.7
81.07037	28.7
83.04932	0.5
83.08599	7.3
85.02886	11.8
85.06476	1.0
85.10162	9.2
89.05963	0.8
91.03933	7.9
91.05463	7.3
93.07020	17.3
95.04906	1.2
95.08585	29.1
96.04434	0.7
96.08910	0.6
97.02874	6.3
97.06462	0.9
97.09621	0.4
97.10136	4.1
99.04390	0.8
99.08039	0.8
99.11722	0.4
103.07497	0.9
105.06370	0.4
105.07003	5.1
107.07878	0.5
107.08568	9.8
109.02782	0.6
109.06458	0.3
109.10130	14.1
111.07994	0.9
111.11658	1.0
113.09612	0.3
113.13125	0.3
115.03902	0.6
117.07005	2.1
117.09033	0.4
119.08555	5.0
121.09327	0.6
121.10117	8.8
123.07992	0.6
123.11677	6.1
127.03883	3.5
131.08531	5.0
133.09225	0.4
133.10107	4.4
135.11655	7.1
137.09566	0.4
137.13219	1.8
144.06445	0.3
145.04919	4.5
145.10080	2.7
147.11658	3.4
149.09502	0.3
149.13194	4.3
151.14755	1.0
153.12680	0.4
159.11655	3.3
161.13234	2.7
163.05974	7.2
163.14764	2.9
165.12659	0.3
165.16301	0.6
173.13222	3.3
175.14758	0.9
177.12607	0.3
177.16290	1.2
179.14247	0.4
180.08607	0.4
185.15182	0.3
187.14748	1.6
191.14253	0.5
201.16443	0.4
233.22604	0.9
239.23596	2.9
243.21024	7.0
257.24731	1.2
261.22083	24.4
261.38901	0.3
262.22293	0.4
277.21567	0.4
279.23035	0.6
298.27246	0.3
299.23672	0.6
313.27289	100.0
314.27588	2.2
317.24649	4.4
333.23810	0.3
335.25720	67.7
336.26080	1.5
353.26648	0.6
475.32343	0.4
499.45276	1.6
573.48633	41.0
574.49182	1.8
591.49683	12.3
592.50531	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	926.5814
Annotation	Unknow
Peak:m/z	Relative Intensity
66.28708	0.8
67.05491	83.4
68.69336	1.0
69.03412	6.4
69.07053	16.4
69.55750	7.2
71.04984	5.0
73.02534	1.2
73.02903	11.5
77.03904	1.6
79.05476	69.1
80.05814	1.1
81.03394	3.4
81.07040	85.1
81.16447	0.9
82.07370	1.0
83.01251	1.0
83.04961	2.2
83.08607	10.4
85.02890	41.9
85.06507	4.0
87.04453	1.1
91.03939	29.6
91.05458	38.9
93.07026	73.2
95.04942	7.2
95.08587	65.0
96.04477	1.3
96.08949	0.8
97.02258	1.7
97.02870	23.3
97.06499	4.8
97.10178	4.2
98.20718	2.2
99.04422	2.7
99.08073	4.9
103.05436	1.4
105.04472	1.5
105.06289	1.2
105.07005	33.6
107.08570	40.5
107.31395	0.8
109.02811	1.9
109.06492	2.5
109.10135	29.4
111.08052	3.1
113.09615	1.3
115.03923	2.1
115.05380	1.0
117.06995	11.4
119.08558	26.2
121.10121	40.2
123.08032	2.7
123.11679	13.5
125.09603	3.3
127.03896	13.1
129.06985	3.6
131.08542	21.4
133.10104	28.8
135.07993	1.8
135.11662	35.3
137.09630	2.5
137.13191	5.3
139.11166	1.0
141.06947	1.3
143.08534	2.8
144.06508	1.0
144.09300	1.0
145.04942	16.3
145.10089	18.2
147.10629	1.4
147.11667	17.8
149.09496	1.2
149.13231	16.8
151.11093	1.3
151.14807	1.0
157.10065	4.0
159.11658	17.1
160.07074	0.9
161.13266	11.2
163.05988	23.1
163.11137	1.6
163.14787	6.5
169.10161	1.2
171.11687	5.1
173.13225	16.3
175.14838	4.1
177.12773	2.4
177.16316	2.0
180.08733	1.3
185.13216	2.6
187.14748	6.1
189.16304	3.8
191.14064	1.0
191.17932	1.5
199.14867	2.0
201.16389	2.3
203.17886	2.1
203.77609	1.0
205.15884	0.8
205.19501	3.2
213.16348	9.2
215.17900	22.9
215.19879	1.6
216.18178	1.1
217.19464	2.3
227.18103	1.0
229.19437	1.3
231.17380	11.4
231.20802	1.3
233.18954	22.2
235.20525	2.3
238.69803	0.9
239.17911	1.2
241.19479	2.9
243.21024	6.3
245.18968	1.1
251.20030	1.6
259.20547	6.6
261.22083	16.3
277.21729	1.3
305.21082	7.2
307.22617	100.0
308.22900	3.2
309.24149	9.6
317.24762	3.0
333.24088	9.2
335.25742	100.0
336.26001	4.9
337.27304	10.9
475.33630	1.0
475.39410	1.6
489.35751	1.0
493.40363	6.8
501.35403	1.7
503.37302	1.1
511.41452	2.0
515.36890	2.1
567.43988	35.7
568.43921	2.4
585.45026	46.4
586.45203	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	908.5196
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03944	1.9
66.85004	1.2
67.05492	52.5
68.05799	1.5
69.03419	6.3
69.07056	9.3
70.06571	5.3
71.01360	1.5
71.04976	4.1
73.02892	2.5
74.71088	1.2
79.05482	57.7
79.05952	3.1
81.03403	83.4
81.07037	57.4
83.04957	7.1
83.08608	22.6
85.02883	13.2
85.06512	4.4
86.09690	4.0
91.03928	8.4
91.05465	38.0
93.07027	56.3
93.07545	1.1
95.04955	32.5
95.08590	41.3
97.02882	8.5
97.06493	5.4
97.10142	6.4
98.21599	2.5
99.04486	1.4
99.08067	4.7
102.42616	1.3
103.03922	1.4
105.07010	26.7
107.04945	8.4
107.08574	28.5
109.02808	1.3
109.06475	4.8
109.10135	19.1
111.04387	1.9
111.08067	6.5
115.05424	2.2
117.06991	9.6
119.04907	2.3
119.07774	2.4
119.08567	24.0
121.06490	6.5
121.10118	35.1
123.04400	3.7
123.08027	4.8
123.11663	7.8
125.09587	4.7
127.03944	2.8
129.06985	10.7
131.08537	25.4
133.06477	2.7
133.10103	23.0
135.07988	3.0
135.11659	23.1
137.05977	1.4
137.09576	3.1
141.10234	1.4
142.07732	2.8
143.08548	2.9
145.04907	3.0
145.10088	14.5
147.04390	2.2
147.08014	4.1
147.11653	15.9
149.09641	6.4
149.13240	11.2
151.11206	2.3
157.10100	10.7
159.07961	1.2
159.11671	12.1
161.13258	4.6
163.06010	5.2
163.11166	3.6
165.12645	1.7
169.10007	1.6
171.11664	3.2
173.13223	10.0
175.09673	1.9
175.11122	10.5
175.14752	4.4
177.12727	2.0
185.13304	2.9
187.14737	3.7
189.11224	3.5
189.16290	3.2
193.12202	19.3
197.13301	1.6
199.14795	1.6
203.14378	1.9
205.12186	1.9
205.15822	1.5
205.19568	1.9
211.13174	1.5
215.17920	22.5
223.13171	1.9
227.12764	5.2
233.18967	26.9
235.13261	4.2
249.14792	2.4
251.19997	2.0
255.20949	2.3
259.13251	1.7
267.15872	100.0
268.16190	1.4
271.11551	2.0
273.22021	4.9
289.21674	1.5
301.14349	2.4
307.22617	83.1
309.16837	4.0
389.23260	1.4
389.28055	1.6
393.22849	1.6
407.24335	2.1
407.29459	4.4
425.30627	7.6
443.31287	2.7
481.33072	3.4
499.34109	68.9
517.35193	93.4
531.36298	2.1
541.35254	9.9
559.35840	3.4
583.36481	2.2
595.36444	2.7
607.36041	3.6
625.36908	4.2
643.38342	3.6
865.85181	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	904.5254
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03923	2.2
65.21212	0.4
67.05495	29.8
69.03422	3.4
69.07063	8.6
69.96801	2.1
70.06580	3.1
71.04980	3.0
72.08105	0.5
73.02892	2.2
76.40017	0.3
77.03893	0.7
79.05482	26.1
80.05789	0.5
81.03407	27.2
81.07047	35.1
83.04971	6.9
83.08607	12.7
84.08090	0.7
85.02892	18.6
85.06490	1.0
86.09690	2.8
87.04414	0.6
87.05592	0.4
91.03941	5.1
91.05467	23.5
93.07030	29.3
95.04362	0.7
95.04956	13.3
95.08592	22.5
96.04460	0.5
97.02875	5.5
97.06506	3.4
97.10153	3.3
99.04408	0.7
99.08050	0.9
103.05426	0.5
105.04494	0.5
105.07016	16.0
107.04929	3.6
107.08580	13.4
109.02802	0.5
109.06506	3.5
109.10137	8.8
111.04385	1.0
111.08068	5.0
113.05964	1.1
114.77877	0.3
115.03889	0.6
115.05417	0.7
117.07008	4.0
119.08565	14.3
121.06448	1.4
121.10125	13.9
121.27086	0.3
123.07998	1.4
123.11699	3.7
125.09535	1.3
125.64600	0.3
127.03913	2.1
127.07464	0.7
128.06197	0.4
129.05507	0.4
129.07008	5.1
130.08638	0.4
131.07573	0.6
131.08551	11.1
133.06454	1.1
133.10115	9.1
135.07973	0.6
135.11682	6.7
136.07487	0.9
137.09567	1.2
137.13210	0.9
141.10187	0.6
142.07739	1.2
143.08473	0.5
145.04961	2.1
145.05954	0.4
145.10095	4.6
147.08038	1.8
147.11667	10.4
149.09592	2.9
149.13237	3.4
151.14775	0.4
153.12653	0.4
155.08568	0.4
157.08916	0.5
157.10109	7.6
159.09126	0.8
159.11671	3.0
161.13225	2.4
163.06004	3.0
163.11151	0.9
163.14743	1.5
165.12738	1.6
169.09819	0.7
171.11557	0.9
173.05576	0.9
173.13219	2.4
175.11153	6.8
175.14786	1.0
177.16307	0.6
183.14966	0.7
185.13191	1.0
187.14769	1.5
189.11259	0.5
191.14229	0.4
193.12213	21.8
197.13164	0.5
199.14769	1.0
205.15932	0.4
209.13287	0.5
211.13246	28.5
227.12700	0.9
233.18881	0.5
243.20940	2.0
244.09254	0.5
249.14781	0.6
261.22125	7.9
265.14365	0.5
267.15897	10.9
269.17322	0.3
279.23108	0.6
280.49792	0.3
285.16925	41.2
286.17227	0.6
301.25082	0.6
307.22519	2.3
317.24799	2.3
333.13333	1.2
335.25754	63.4
336.26141	1.3
425.18100	0.7
435.32520	1.6
453.33649	1.5
471.34821	0.8
499.33994	0.7
500.34198	0.4
501.35806	0.4
509.36673	0.6
527.37292	13.3
545.38306	100.0
546.38580	3.4
563.39258	0.8
639.35352	0.5
657.35883	0.5
675.37128	1.1
689.42065	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	904.5255
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03899	1.7
67.05495	31.2
69.03414	3.7
69.06722	0.6
69.07055	8.1
70.06586	3.0
70.68874	1.0
71.04988	3.2
71.08598	0.4
73.02907	3.0
77.03873	0.7
79.05479	26.2
81.03405	37.2
81.07043	35.8
83.04971	9.1
83.08607	16.1
84.04459	0.5
85.02891	21.5
85.06505	1.2
86.09718	1.9
91.03951	6.7
91.04882	0.8
91.05465	23.3
93.07028	24.4
93.28973	0.4
95.04353	0.7
95.04949	14.9
95.08591	23.3
97.02876	7.2
97.06515	3.2
97.10143	3.8
99.04431	0.8
99.08020	0.8
103.05459	0.7
103.41341	0.4
105.04484	0.6
105.07011	18.1
107.04942	4.1
107.08578	12.7
109.02869	0.4
109.06511	2.8
109.09446	0.6
109.10138	8.7
111.04400	1.5
111.07375	0.5
111.08070	6.9
113.05968	1.5
115.05392	1.1
117.06972	3.0
118.06537	0.6
119.04925	0.8
119.08562	16.8
121.06428	1.3
121.09313	0.7
121.10121	13.2
123.08045	2.3
123.11668	3.2
125.09589	1.5
127.03896	2.8
129.06993	5.9
130.54222	0.4
131.07564	0.6
131.08543	10.7
133.06416	1.5
133.10107	10.3
135.07922	0.6
135.11662	6.4
136.07552	0.7
137.09547	1.3
137.13150	0.9
139.11179	0.6
142.07718	1.5
143.08498	0.8
145.04942	2.4
145.10095	5.6
147.08025	1.9
147.11662	11.3
149.09618	3.5
149.13211	3.2
157.10092	9.2
159.09151	0.9
159.11647	2.8
161.13228	2.3
163.06018	2.7
163.11104	1.0
163.14784	1.4
165.12737	2.2
169.09869	0.9
171.11670	0.5
173.05571	0.6
173.13242	2.3
175.11160	8.9
175.14772	1.0
177.16278	0.4
183.11728	0.6
185.13261	0.8
186.35373	0.4
187.14709	1.1
193.12210	29.6
199.14771	0.5
202.12183	0.8
211.13255	52.8
227.12694	1.4
229.14415	0.6
240.17114	0.4
243.21069	2.8
249.14828	0.6
261.22122	7.2
267.15857	13.2
269.17422	0.8
277.21613	0.5
283.15326	1.0
285.16916	66.3
289.91132	0.5
301.25229	0.9
317.24716	2.0
333.24149	0.4
335.25742	55.1
336.26099	1.6
345.34195	0.4
417.31677	0.7
435.32495	2.0
453.33456	3.0
471.34631	1.2
509.36230	0.6
527.37268	14.5
545.38287	100.0
546.38684	2.5
563.39404	0.9
742.45306	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	898.5505
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03929	2.2
67.05496	44.9
69.03420	4.1
69.07056	8.5
71.01333	0.4
71.04970	2.5
71.08620	0.6
71.55225	0.9
73.02905	6.8
77.03905	0.8
79.05482	40.6
80.05830	0.6
81.03397	1.8
81.07046	43.3
83.04952	1.6
83.08606	6.0
85.02892	26.8
85.06530	3.3
87.04468	0.6
91.03946	18.7
91.05467	22.9
93.07030	47.0
95.04951	4.7
95.08591	32.5
96.04471	0.6
97.02265	0.8
97.02877	13.6
97.06516	2.7
97.10148	1.7
99.04427	1.5
99.08082	3.2
105.07016	18.5
107.04961	0.4
107.08580	19.4
108.64393	0.4
109.02850	1.0
109.06491	2.1
109.10140	15.8
111.08071	1.8
111.11670	0.5
113.05997	0.4
113.09611	1.0
115.03906	1.4
115.05454	0.6
117.06993	7.1
119.08566	15.1
120.37341	0.4
121.06494	0.5
121.10125	25.9
123.08041	1.5
123.11686	7.7
125.09624	1.0
127.03900	7.9
128.06261	0.6
129.05537	0.9
129.06963	2.8
130.07794	0.7
131.08553	14.0
133.10117	18.2
135.08040	1.1
135.11678	22.1
137.09578	1.3
137.13231	2.5
143.08559	1.7
145.04938	9.0
145.09023	0.7
145.10110	13.3
147.11668	13.0
149.09604	2.0
149.13234	10.0
151.11150	1.4
157.10103	3.3
159.11661	8.9
161.13217	4.2
163.05991	12.2
163.11153	1.2
163.14803	1.5
165.12704	0.7
169.08702	0.4
169.10062	1.0
171.11644	4.1
172.89418	0.4
173.13232	8.1
173.14645	0.6
175.11159	0.8
175.14781	1.9
177.12746	1.3
177.16316	0.7
183.11705	1.1
185.13213	1.8
187.14832	3.7
189.12639	0.7
189.16344	2.5
191.14330	0.5
191.17914	0.4
197.13240	0.9
201.16319	1.2
203.14209	0.5
203.17908	2.2
204.08450	0.4
205.15790	0.8
205.19424	2.2
209.13289	0.5
211.14766	0.4
213.14595	0.7
213.16386	6.7
215.17920	21.6
217.19513	2.3
219.17328	0.5
225.16322	0.6
227.17970	0.6
229.15718	0.5
229.19508	0.4
231.17416	9.5
231.20964	0.5
233.18971	19.2
234.19537	0.4
235.20511	1.4
241.19438	0.9
243.17224	0.5
245.18961	0.5
249.18376	0.6
255.21167	0.5
257.19040	0.6
267.21185	0.6
271.20593	0.6
287.23618	0.7
289.21585	0.6
305.21066	6.7
307.22626	100.0
308.22971	1.8
309.24191	12.2
309.27576	0.9
313.21353	0.4
325.23807	0.4
327.26709	0.6
341.21005	0.4
341.28317	0.6
353.28622	0.5
363.25516	0.5
367.29999	0.5
429.29706	0.5
433.29224	0.5
447.30829	1.2
447.36172	1.2
459.34897	0.6
461.32629	0.5
465.37173	3.0
469.27386	0.6
483.38766	0.5
487.33853	0.9
539.40887	14.0
540.41748	0.5
557.41943	20.8
603.56439	0.4
808.77832	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	882.541
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03928	0.7
67.05491	10.8
69.03416	2.3
69.07054	5.5
71.04984	1.9
71.08624	13.7
73.02904	2.0
79.05478	7.5
81.03405	24.0
81.07046	16.3
83.04954	4.6
83.08131	0.8
83.08604	13.6
85.02887	15.1
85.06535	1.0
85.10174	8.5
87.04451	2.0
89.06013	0.7
91.03951	3.7
91.05463	10.3
93.07047	5.9
95.04958	9.2
95.08591	13.4
97.02866	5.0
97.06505	1.6
97.10139	3.8
98.36463	0.5
99.08081	0.8
103.07574	0.6
104.74875	0.5
105.07011	6.5
107.04953	1.8
107.08580	2.2
109.06508	1.8
109.10141	7.1
111.04425	0.8
111.08067	4.7
111.11717	0.8
113.05932	0.7
116.31471	0.5
117.06994	0.6
119.08556	7.7
121.06490	1.1
121.10129	4.3
121.71926	0.5
123.11681	2.8
127.03909	1.9
129.06956	4.5
131.08534	4.1
133.06479	0.7
133.10101	4.9
137.09615	0.7
142.07716	1.1
145.04961	1.9
147.07962	1.1
147.11664	6.2
149.09560	3.5
157.10107	6.4
163.06026	2.5
163.11134	0.6
165.12741	0.6
175.11157	6.6
184.07385	0.5
193.12216	18.2
211.13260	19.8
239.23654	1.3
249.14745	0.7
257.24643	0.9
267.15872	10.6
285.16910	29.4
313.27307	63.1
314.27655	1.5
505.38809	17.3
523.39868	100.0
524.40222	4.2
615.76410	0.7
882.17841	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	886.587
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03925	2.8
67.05493	87.5
68.05798	1.4
69.03430	3.6
69.07060	13.1
71.01347	1.3
71.04981	4.8
71.30206	2.5
73.02900	3.5
79.05481	61.2
81.03407	8.0
81.07045	50.1
83.04962	5.1
83.08602	15.3
85.02883	12.2
85.06520	4.5
87.04458	2.8
88.90897	1.0
91.03922	1.3
91.05466	28.2
93.07030	58.2
95.04971	6.8
95.08592	32.4
96.08936	1.2
97.02879	3.4
97.06511	5.6
97.10147	14.5
99.04485	1.4
99.08067	3.0
105.04510	1.7
105.07011	16.0
106.84749	1.1
107.04950	2.6
107.08576	24.7
109.06509	1.9
109.10139	56.5
111.08073	4.7
112.80127	1.3
113.09594	1.6
117.07011	7.9
119.08572	16.2
121.10117	29.3
123.08076	2.9
123.11695	5.0
125.09614	15.1
129.05496	1.9
129.07013	2.7
131.08565	9.7
133.10123	11.3
135.08025	4.7
135.11665	23.9
137.09587	5.0
137.13235	2.3
139.11136	3.0
143.10670	2.7
145.10069	11.8
147.11632	6.9
149.09598	3.8
149.13254	8.7
151.11099	1.4
153.12711	3.9
155.10649	2.6
157.10161	2.3
159.11665	7.6
161.13217	2.3
163.11159	7.6
171.11687	1.3
173.11723	14.0
173.13257	6.0
175.11198	1.5
181.12225	2.0
185.13219	1.2
187.14859	2.4
189.16461	1.4
191.10666	1.6
193.12238	1.5
199.13293	6.0
205.19547	1.8
209.11766	5.2
215.14546	1.2
215.17915	22.0
217.14253	1.9
227.12697	8.0
229.14325	54.2
233.18927	17.3
233.20847	1.6
257.13797	1.5
267.15948	1.6
283.15390	3.0
301.16434	18.4
307.22626	100.0
308.22980	2.2
335.25803	3.1
370.32458	1.2
431.31104	1.4
449.32608	8.5
457.31445	10.7
461.32590	24.1
515.33997	1.5
517.35730	1.3
528.73633	1.2
533.34686	11.6
551.35565	4.1
595.07745	1.2
689.49799	20.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	876.4934
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02914	12.5
65.03928	1.7
67.05492	30.9
69.03423	3.8
69.07059	6.1
70.06595	0.5
70.37116	0.9
70.37508	1.0
71.04980	3.8
72.85507	0.5
73.02903	3.9
74.48721	0.4
79.05479	32.5
81.03403	31.0
81.07043	30.8
83.04970	7.5
83.08604	14.7
84.08124	1.6
85.02887	25.6
85.03407	0.7
85.06516	2.3
87.04445	0.6
91.03938	9.1
91.05463	22.2
93.07025	36.2
95.04949	14.2
95.08591	19.0
96.04501	0.6
97.02876	9.8
97.03493	0.7
97.06503	3.4
97.10142	3.2
99.04446	0.9
99.08081	2.0
103.05473	0.8
105.07011	17.0
107.04943	5.1
107.08576	14.7
107.09279	0.9
109.02876	1.0
109.06489	3.6
109.10129	7.2
111.04418	1.3
111.08060	6.3
113.06004	1.5
115.05408	0.8
116.06278	0.6
117.06982	3.8
119.08557	15.1
121.06467	1.5
121.10121	19.2
122.10440	0.6
123.08048	2.1
123.11674	3.7
125.09585	2.0
126.09129	1.1
127.03881	4.1
127.07549	0.6
129.06973	5.6
131.07564	0.8
131.08543	11.8
133.06509	1.1
133.10101	11.6
133.11069	0.8
135.08028	0.8
135.11676	8.7
136.97739	0.5
137.09622	1.8
137.13257	0.8
142.07761	1.2
143.08539	1.0
145.04921	3.6
145.10091	5.7
147.08041	1.8
147.11662	11.1
149.09595	4.1
149.13200	5.2
155.08571	0.7
157.10114	7.9
159.11674	4.1
161.13229	1.1
163.05963	3.9
163.11154	0.9
165.12772	1.5
171.11617	0.9
173.13217	3.5
175.11142	7.5
183.14014	0.5
187.14815	1.1
189.16327	0.8
193.10405	0.6
193.12215	22.3
211.13242	29.7
212.13683	0.5
213.69139	0.6
215.17934	9.7
227.12848	0.9
233.18962	10.5
233.21147	0.7
267.15863	11.9
273.22171	0.6
275.20358	0.7
285.16907	44.9
286.17462	0.7
289.21606	0.8
290.17545	1.0
307.22614	61.1
308.22955	1.2
323.49939	0.5
389.28674	0.6
407.29443	1.9
425.30725	0.8
443.31192	0.6
481.33142	0.6
499.34052	12.1
517.35162	100.0
518.35516	5.1
535.36023	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	862.6436
Annotation	Unknow
Peak:m/z	Relative Intensity
66.89358	0.7
67.05463	0.7
69.07056	4.8
69.71154	3.9
70.71529	0.6
71.08614	29.2
73.02908	1.0
73.06541	10.3
81.07029	0.7
83.08613	4.1
85.10166	18.8
87.04443	14.6
88.55298	0.6
89.06009	100.0
91.07558	1.3
95.08614	0.8
97.10155	6.8
99.11710	2.8
107.07032	4.1
110.59794	0.7
110.63145	0.7
111.11698	3.8
113.13248	1.7
117.09101	12.5
125.13264	1.8
127.14821	1.4
130.08594	6.2
131.07025	4.6
133.08571	61.8
135.10158	1.6
139.14813	1.2
141.16336	1.8
155.17999	1.1
155.94119	0.7
161.11688	3.7
170.78300	0.7
175.09647	4.1
177.11185	25.3
179.12740	1.0
188.90634	0.7
195.12108	0.7
196.24835	0.7
211.24184	2.5
219.12202	1.1
221.13818	5.8
239.14902	1.3
255.26784	2.9
265.16431	0.7
283.17529	2.9
299.29373	7.1
327.20041	1.3
343.32050	6.1
353.21570	1.4
361.60974	0.7
371.22946	0.9
397.24350	0.7
415.01486	0.7
583.99103	0.7
635.38635	2.0
675.68909	0.7
692.40265	1.4
845.61639	3.7
862.64386	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	871.4302
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05167	1.2
67.05495	14.9
69.07056	5.1
70.95847	4.0
71.08624	7.1
71.34613	2.9
72.93780	12.2
79.05490	8.4
81.03388	4.1
81.07047	15.5
83.08596	4.1
85.10175	5.3
88.96873	2.1
90.94823	11.2
91.05467	5.7
93.07029	7.8
95.04926	2.3
95.08593	15.4
97.10159	2.2
97.86826	1.0
100.82441	1.1
105.07014	2.6
107.08533	4.8
108.95848	5.4
109.10149	5.5
112.95170	0.9
113.96400	2.5
116.96356	1.7
119.08596	1.0
121.10113	2.3
123.11665	2.2
126.98409	1.2
128.96338	2.6
130.97879	2.0
131.08569	1.6
131.97365	1.8
132.95813	11.8
133.10089	2.1
134.97377	3.1
135.11690	1.5
140.96368	1.5
142.97916	1.2
144.95781	5.2
144.99442	3.3
146.97350	8.6
148.98938	3.7
150.96886	10.9
155.97398	3.0
156.95805	3.9
158.97377	9.3
160.95309	1.2
162.96851	8.5
164.97093	2.2
164.98454	37.4
164.99828	1.9
165.97076	1.5
166.97932	1.1
169.98984	1.3
170.97363	6.6
172.98906	2.7
174.96854	4.4
176.98413	7.8
178.97874	2.2
180.95734	1.1
181.98978	1.5
182.97409	3.1
184.98927	3.0
186.01215	1.0
188.00052	6.8
188.98392	7.7
190.96304	2.0
190.99980	2.3
192.97826	2.5
196.98862	2.3
198.96858	36.9
199.00592	1.7
200.02737	1.0
200.98434	5.5
202.99928	3.2
204.97935	1.4
206.99471	6.8
214.93024	6.5
214.99924	1.9
216.97923	14.4
218.99426	5.3
221.98415	1.7
227.26985	1.0
230.99490	9.5
233.01018	11.6
234.98756	1.3
239.99524	4.3
241.04974	1.8
242.99388	1.4
243.06746	1.3
245.01038	2.7
254.99396	2.9
257.24844	1.2
262.93057	20.3
269.12674	1.0
270.95663	6.0
273.00613	3.3
275.02014	1.4
279.08066	2.0
280.94101	14.8
281.09790	4.6
283.11469	2.3
285.94556	6.4
294.95605	2.6
298.95157	23.1
303.10223	1.2
303.95792	3.0
307.13553	1.9
309.15054	2.1
311.16669	1.1
312.96658	5.4
313.27332	50.2
314.27676	1.6
318.95422	1.4
321.96649	5.8
327.16269	1.8
329.11966	5.1
329.17606	7.6
331.13382	10.0
331.31931	1.2
333.15045	81.4
334.15170	2.1
335.25751	31.9
336.26096	2.0
336.96695	10.7
347.18890	6.6
351.16101	1.4
354.97815	13.5
372.16391	1.4
372.98831	21.2
374.17834	2.5
385.20166	3.2
396.00150	3.0
407.18716	7.8
414.01581	4.7
427.21625	1.9
449.19800	3.6
502.14862	1.2
519.16895	1.2
541.15521	1.3
551.19891	1.9
555.16931	3.0
573.48621	4.7
575.19250	1.3
593.20709	9.5
597.18140	2.4
611.21741	100.0
612.21838	4.8
615.19135	53.7
616.19354	3.1
633.20190	38.9
645.41229	3.2
652.24231	14.8
653.24384	1.2
866.19891	1.2
871.43195	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	848.629
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04985	0.9
59.33780	0.7
67.05493	2.1
69.07071	4.8
69.07382	1.0
71.08623	29.6
71.63632	1.0
73.02939	1.5
73.06549	12.0
79.05492	1.0
81.07056	1.9
83.08595	5.1
85.10173	17.2
86.09692	1.2
87.04457	17.3
89.06021	100.0
90.06336	0.8
91.05462	1.0
91.07577	1.7
93.07037	1.1
95.08607	1.5
97.10141	5.7
99.11725	1.6
104.02100	0.7
106.86002	0.7
106.99522	0.7
107.07040	4.4
111.11711	3.2
113.13242	1.9
117.09138	11.7
125.00043	1.1
125.13219	1.1
127.14826	1.9
130.08626	4.4
131.07042	5.0
133.08589	59.0
134.08946	1.2
135.10104	1.6
136.20949	0.7
139.14911	0.7
161.11708	3.1
175.09688	3.2
177.11211	26.1
179.12837	1.0
184.07312	3.5
197.22687	2.7
210.18491	0.7
219.12358	1.2
221.13852	4.4
223.15508	1.0
239.14980	2.3
241.25214	3.5
265.16525	1.5
283.17642	2.7
285.27863	8.3
309.19168	1.1
327.20334	1.3
329.30466	5.4
334.91068	0.7
591.35327	1.3
679.34290	1.1
831.60071	2.5
848.50562	1.0
848.63373	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	858.4309
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02917	6.9
67.05499	18.9
68.99773	4.0
69.03417	42.7
69.06708	2.3
69.07054	28.0
70.06584	10.6
71.01377	1.6
71.04984	8.5
71.08596	2.4
71.57732	2.8
72.08122	2.9
73.02888	6.5
79.05476	13.5
81.03404	36.9
81.06574	3.7
81.07043	60.9
83.04962	2.4
83.08605	16.2
84.04480	3.1
84.08110	2.8
85.02891	100.0
85.10130	1.5
86.09681	7.2
87.00282	2.8
87.00808	41.3
87.04488	1.7
91.03925	2.6
91.05468	9.7
93.07034	31.5
95.04960	7.9
95.08591	71.5
97.02876	52.9
97.06510	3.5
97.10166	8.7
99.04446	15.6
102.05517	1.8
103.03923	2.9
105.01846	54.2
105.07006	15.0
107.04927	2.8
107.08575	29.1
109.02859	49.3
109.10139	41.5
111.04416	4.3
111.08058	2.6
111.11690	5.6
115.03889	3.0
117.01827	2.6
117.06979	2.6
119.07878	1.6
119.08568	15.4
120.08046	1.7
121.09298	2.1
121.10123	24.7
123.04384	5.4
123.08031	1.6
123.11682	23.9
125.02295	1.6
125.09655	1.9
125.13242	3.9
127.03893	98.4
129.01784	4.5
131.08528	3.0
133.10094	13.6
135.08047	2.3
135.11664	24.5
137.09613	3.9
137.13222	19.1
139.11134	4.0
143.08511	2.8
145.04922	25.3
145.10092	5.6
147.02814	3.0
147.11659	14.8
149.13226	28.3
151.14806	4.9
153.12726	2.3
157.10124	2.2
159.02829	12.3
159.08046	1.8
159.11644	4.4
161.09627	2.1
161.13240	9.4
163.07472	2.1
163.14810	16.7
165.12732	2.7
165.16347	3.6
167.14386	2.0
169.04913	3.3
173.04523	3.4
173.13164	2.5
175.14798	4.3
177.16370	7.5
179.17877	3.6
183.13715	1.7
187.06041	2.1
187.14760	2.7
189.03979	7.1
189.16283	4.1
191.17923	7.9
193.04997	1.7
196.09966	1.3
201.16267	1.8
203.17886	7.3
206.65840	1.6
213.03874	15.7
217.19505	7.7
231.04944	34.1
247.24219	3.3
249.05974	19.6
253.07059	2.3
273.06042	10.5
273.25726	35.8
274.26193	1.8
275.27267	1.7
277.05478	1.8
289.25232	7.4
291.26770	28.3
303.26810	2.2
307.26266	4.3
308.26459	2.3
309.27844	16.9
315.06967	2.6
327.28732	5.5
339.07025	6.6
357.08136	4.5
363.26157	2.1
369.28052	1.9
375.29050	2.1
381.27811	5.6
387.29056	2.0
399.28824	16.2
417.29938	8.9
435.31238	2.0
436.60089	1.6
443.08121	4.3
459.30963	1.9
461.08932	12.3
473.28644	2.1
479.10233	8.0
485.28662	6.8
490.29404	2.1
491.29745	2.1
503.29810	15.9
509.30655	1.6
521.30823	21.7
539.31995	8.9
859.39160	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	848.4985
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04988	2.8
61.02917	9.2
65.03918	2.0
67.05494	79.2
68.05833	0.8
69.03417	2.7
69.06706	0.6
69.07057	6.4
71.04980	3.3
71.08632	0.4
73.02901	3.0
74.91864	0.3
79.05477	15.2
79.42154	0.3
80.05809	0.3
81.03409	1.4
81.07042	30.8
83.04974	1.1
83.08605	7.8
85.02888	13.6
85.06532	2.5
87.04453	0.5
91.03938	9.2
91.05466	9.5
93.07029	20.4
94.35803	0.3
95.04946	1.7
95.08592	22.9
96.04507	0.4
97.02873	5.9
97.06534	1.3
97.10126	2.0
98.20753	0.7
99.04430	0.9
99.08080	1.3
103.03910	0.6
105.07011	5.4
107.08578	13.2
109.02876	0.6
109.06495	1.1
109.10138	68.9
110.10483	0.9
111.08067	3.1
113.09660	0.4
115.03915	0.6
117.07011	2.9
119.08566	10.2
119.09447	0.5
121.06514	0.3
121.10125	10.6
123.07999	0.3
123.11677	3.6
125.09645	1.7
127.03898	3.1
129.05455	0.4
129.06972	0.4
131.08553	5.3
133.10104	4.9
135.08043	0.8
135.11674	6.9
137.09587	3.6
137.13251	1.1
139.11137	0.4
143.08562	0.5
143.79933	0.3
145.04933	3.5
145.10094	3.7
147.11694	3.2
149.13242	4.4
151.14763	0.6
155.10619	2.8
159.11681	3.0
161.13235	2.9
162.68488	0.4
163.05994	5.3
163.07339	0.4
163.14783	2.8
171.11700	0.3
173.11742	21.1
173.13252	3.7
174.12041	0.4
175.14804	1.1
177.16360	0.9
183.12027	0.3
184.07315	1.7
187.14742	1.8
189.11169	0.9
201.16438	0.5
204.08507	0.4
206.25002	0.3
213.14726	0.6
227.12738	7.1
229.14314	100.0
230.14621	1.8
233.22649	0.5
243.21056	5.0
261.22113	17.6
262.22476	0.5
277.21628	0.4
279.23184	0.6
299.23718	0.6
317.24548	2.5
333.24112	0.5
335.25745	63.9
336.26166	2.3
361.17688	0.3
379.29749	1.2
397.31033	1.7
415.32037	1.9
433.33301	0.4
471.34616	3.2
489.35669	51.7
490.36209	2.4
507.36798	8.4
633.39417	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	848.4986
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04988	3.0
61.02916	12.3
65.03925	2.3
67.05492	100.0
68.05823	0.8
69.03422	2.9
69.07053	8.6
71.04979	3.4
71.08598	0.8
73.02908	3.9
79.05479	21.7
80.06226	0.4
81.03407	1.6
81.07043	40.6
82.07347	0.5
83.04974	0.9
83.08607	9.9
85.02892	15.6
85.06527	2.8
87.04455	0.6
91.03941	10.2
91.05463	16.1
93.07029	28.0
95.04955	2.6
95.08591	30.4
96.08928	0.7
97.02869	7.8
97.06522	1.5
97.10148	2.2
98.20780	1.4
99.04450	0.7
99.08068	1.3
103.03950	0.6
105.07012	8.2
106.08266	0.5
107.07845	1.0
107.08575	17.6
108.08941	0.5
109.02908	0.5
109.06523	2.0
109.10138	86.8
110.10456	1.0
111.08046	3.0
115.03907	1.1
117.06990	3.7
119.08567	11.1
121.10126	14.7
123.08105	0.8
123.11684	5.0
125.09594	1.8
127.03889	4.4
129.06978	0.8
131.08540	5.9
133.10112	6.5
135.11665	10.7
137.09598	3.8
137.13242	1.5
143.08524	0.6
145.04915	3.3
145.10106	5.5
147.11655	4.4
149.13213	6.0
153.27414	0.4
155.10608	4.9
156.77245	0.5
159.11691	3.9
161.13234	4.0
163.05984	4.6
163.14774	2.8
167.46216	0.5
171.11630	0.7
173.11708	21.6
173.13232	4.1
175.14798	1.3
177.16389	0.8
180.08659	0.6
184.07414	0.5
185.13252	0.6
185.22983	0.5
187.14743	2.2
189.11203	1.0
201.16270	0.8
205.56834	0.5
227.12720	6.5
229.14314	97.1
230.14594	1.7
233.22612	1.1
243.21030	5.6
261.22101	25.0
262.22812	0.5
263.23639	0.8
279.23120	0.9
282.74429	0.5
299.23590	1.0
307.22678	0.9
317.24759	3.8
335.25745	78.7
336.26111	2.3
363.73682	0.5
379.29837	0.8
397.30945	1.9
415.32053	0.6
433.33582	0.6
435.54880	0.5
471.34717	2.8
489.35678	82.5
490.35791	3.9
507.36722	8.9
519.23981	0.5
633.39868	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	828.5084
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02906	3.1
63.26690	0.8
65.03946	1.8
66.92307	0.8
67.05492	35.7
69.03406	2.4
69.07056	36.8
71.04965	2.1
71.58374	1.5
73.02906	2.5
73.06541	2.1
79.05476	35.5
81.03405	11.8
81.07041	100.0
81.51897	1.0
82.07375	1.0
83.04955	2.7
83.08601	3.6
85.02894	10.4
85.06542	1.4
91.03917	1.5
91.05463	18.8
93.06461	1.6
93.07025	25.7
95.04952	3.4
95.08592	27.2
97.02870	4.2
97.06507	9.2
97.10140	1.5
99.08068	3.0
103.03931	1.5
105.07017	8.2
107.08577	15.9
109.06498	4.0
109.10136	9.7
111.08092	1.6
115.07536	7.1
117.07005	6.3
118.06503	0.9
119.08555	10.3
121.06504	1.7
121.10110	11.5
123.08031	1.3
123.11694	2.8
125.09584	1.8
127.07571	4.7
129.05487	2.2
129.07021	1.2
130.56738	1.1
131.08546	6.5
133.10097	6.3
134.73489	0.9
135.08031	11.3
135.11658	7.1
137.05989	1.1
137.09579	2.7
137.13190	1.0
139.07584	1.2
143.06992	1.9
145.08569	6.6
145.10121	5.5
147.11655	4.6
149.13237	3.6
153.09077	3.0
159.11671	5.0
161.13223	3.8
163.07533	5.1
163.14841	2.5
165.09068	1.7
165.12753	1.1
171.10132	2.7
173.13217	4.1
175.09593	1.1
175.14803	1.3
177.16266	0.9
181.08585	3.7
187.14786	2.5
199.09613	4.5
201.11177	34.0
202.11501	1.2
206.94023	0.9
211.14969	1.0
239.12703	2.6
243.21066	2.8
247.19556	1.0
255.12195	1.2
261.22076	8.5
273.13290	9.5
277.21597	1.1
314.36102	1.0
315.22989	1.1
317.24808	1.8
335.25729	62.2
336.26105	2.7
342.61475	1.0
371.20602	13.6
461.32446	8.0
515.33191	2.2
533.34491	3.5
551.35535	2.6
631.41815	10.4
632.41675	1.5
829.50836	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	839.425
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02633	2.6
61.02919	34.8
65.03918	2.5
67.05497	64.3
69.03418	6.1
69.06434	1.7
69.07051	9.1
71.04972	2.0
71.60828	2.8
73.02908	11.2
75.04453	2.5
79.05486	31.4
81.03395	2.3
81.06568	3.4
81.07044	66.9
83.04985	2.3
83.08605	5.9
85.02892	44.1
85.03415	2.2
85.06494	2.8
91.03387	3.5
91.03942	52.7
91.05461	16.2
92.89598	1.7
93.07028	48.6
95.04976	4.3
95.08593	53.2
97.02876	23.9
97.06512	4.0
97.10179	3.3
99.04428	2.4
99.08096	2.0
102.12612	1.8
103.03928	1.9
105.07004	16.2
107.08578	36.3
108.08868	2.2
109.06477	2.6
109.10134	31.9
111.08067	3.2
117.07006	8.4
119.08562	14.4
121.10120	32.7
121.28020	1.7
123.08009	2.2
123.11684	17.1
127.03901	15.8
131.08571	18.1
133.10117	12.1
135.11673	26.2
137.13203	8.4
145.04944	25.8
145.10107	15.1
146.08128	2.2
147.11678	13.5
149.02403	2.1
149.13222	19.6
151.11200	2.2
153.12685	1.7
159.11699	12.0
161.13200	11.0
163.05991	50.5
163.14787	15.9
165.12750	4.1
173.13213	16.9
175.14827	3.2
177.16393	5.2
179.14278	3.5
187.14774	10.3
200.84763	2.0
201.16293	3.9
205.15900	1.8
233.22710	2.5
243.21021	41.2
245.22646	2.3
261.22107	100.0
262.22540	2.1
279.23276	4.2
335.25751	39.4
336.26309	3.2
353.26813	73.7
354.27148	3.2
443.27737	2.4
468.79657	2.0
479.30078	1.9
497.31055	14.2
498.31561	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	828.4207
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02916	60.8
65.03921	1.3
67.05493	26.7
69.03419	5.5
69.07056	6.3
70.06569	1.1
71.04995	3.5
71.08648	0.7
71.34515	1.7
73.02485	1.4
73.02902	25.3
74.17523	0.8
75.69148	0.6
79.05478	29.4
80.84740	0.7
81.03406	2.3
81.07043	30.5
83.04958	0.8
83.08595	3.1
85.02889	85.5
85.06513	4.6
86.09694	0.7
87.04456	1.1
91.03939	73.0
91.05458	13.8
93.07027	35.5
95.04965	2.3
95.08591	24.9
96.22297	0.6
97.02873	38.0
97.06503	2.2
97.10144	1.6
99.04445	4.8
99.08052	4.3
101.02390	1.4
103.03937	2.4
105.04529	0.8
105.07016	9.6
107.04957	0.8
107.06986	0.6
107.08574	20.0
108.53274	0.7
109.02869	3.1
109.06500	1.5
109.10138	15.1
111.08057	2.4
113.09617	3.0
115.03925	5.0
117.05538	1.3
117.07010	7.4
119.08558	11.0
121.06477	1.0
121.10116	28.4
123.08086	1.3
123.11691	11.0
125.09606	1.7
127.03896	31.8
127.11024	0.8
131.08546	15.5
133.10103	15.4
133.11064	1.3
133.82729	0.6
135.08064	1.4
135.11667	33.9
137.09592	2.1
137.13232	2.7
139.11177	1.4
145.04935	45.8
145.10092	13.3
147.11661	9.7
147.95987	0.8
149.09587	2.2
149.13231	19.9
151.11156	2.0
151.70157	0.7
153.12715	1.0
159.11665	14.6
161.13239	3.0
163.05989	100.0
163.11182	3.0
173.13249	10.7
175.14801	1.7
177.12744	1.7
181.07010	1.3
187.14777	3.1
189.16357	2.1
191.14238	1.3
204.08609	1.7
205.15942	1.2
205.19461	6.1
215.17915	60.6
216.18271	1.1
217.19527	0.9
233.18962	98.8
234.19290	1.9
235.20467	2.1
241.07126	1.0
251.19954	1.9
252.86389	0.6
270.13455	0.7
271.07895	1.0
307.10168	0.8
307.19360	1.1
307.22610	12.0
313.74911	0.7
319.93527	0.7
325.11224	7.7
325.23676	67.3
326.23911	1.2
357.31369	0.8
360.80719	0.7
419.54874	0.6
469.28070	3.2
753.28101	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	826.5143
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04960	2.0
61.02916	8.3
61.60578	0.4
65.03898	1.2
67.05493	50.4
68.05824	0.8
69.03419	2.4
69.07062	4.5
69.96004	2.8
71.04964	1.3
71.08619	16.4
71.42543	0.4
73.02905	2.8
78.47206	0.5
79.05453	1.8
81.03402	1.1
81.06586	1.0
81.07040	14.8
83.08604	9.9
85.02425	0.7
85.02890	10.3
85.06516	2.2
85.09699	0.7
85.10167	8.7
86.09660	1.9
89.05984	1.0
91.03946	8.2
91.05471	3.3
93.07023	2.8
94.07320	0.5
95.04927	0.9
95.08593	14.9
96.04494	0.4
97.02865	5.4
97.06485	0.6
97.10154	2.9
99.04413	1.0
99.08050	1.1
99.11713	0.7
103.07536	0.7
105.06969	0.9
107.08548	1.8
107.52437	0.5
109.02837	0.6
109.10138	57.7
110.10469	0.9
111.08037	2.1
111.11698	0.7
117.09066	0.6
119.08573	3.8
121.10135	0.6
123.11671	3.3
124.99932	1.2
127.03924	2.6
137.09587	2.3
137.13223	0.8
140.07770	0.4
145.04984	2.6
149.09631	0.6
151.14819	0.5
155.10664	2.4
163.06036	3.7
163.07275	0.8
173.11711	17.3
184.07317	5.3
229.14314	75.5
230.14708	2.2
239.23705	1.6
247.16110	0.5
257.24655	1.7
307.22476	0.5
313.27310	79.0
314.27609	4.5
332.66089	0.5
335.25699	0.6
345.53531	0.5
366.70056	0.5
373.18356	1.0
377.17886	0.6
388.98935	0.5
467.37265	100.0
468.37506	6.9
629.43964	0.6
706.60138	0.5
826.52606	0.9
827.48779	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	828.4203
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02916	64.2
65.03917	0.9
67.05493	35.8
68.05822	0.5
69.03414	7.3
69.07058	5.6
69.49641	4.9
71.04980	4.9
71.08640	0.6
73.02906	24.3
77.03902	0.7
79.05480	30.5
81.03413	2.9
81.07043	38.3
82.03974	0.5
83.04979	1.3
83.08607	3.6
85.02890	86.0
85.06531	4.5
87.04464	0.8
91.03939	76.1
91.05457	16.1
93.07026	38.5
95.04967	2.8
95.08588	30.4
97.02873	39.4
97.06522	3.1
97.10181	1.4
99.04449	4.7
99.08064	4.6
99.97271	0.5
101.02350	1.4
103.03924	3.3
103.05466	0.6
105.07018	11.3
107.08576	23.5
109.02852	3.1
109.06479	1.8
109.10141	19.9
111.08063	1.8
113.09649	3.2
115.03899	4.8
115.07554	0.5
117.05486	1.5
117.07008	7.4
119.08562	10.9
121.10126	26.4
123.08083	1.3
123.11682	12.3
125.09596	1.9
127.03894	32.0
127.11245	0.5
129.05464	1.4
129.06976	1.0
131.08543	16.6
133.10110	15.8
135.08005	0.9
135.11667	34.8
137.09593	3.5
137.13257	3.3
139.11171	0.9
145.04935	43.8
145.10101	14.6
146.06625	0.5
147.11668	9.5
149.09631	3.2
149.13229	20.0
151.11131	2.9
153.12769	0.7
155.29146	0.5
159.11664	15.6
159.12979	0.8
161.13239	3.2
163.05989	100.0
163.11203	3.2
164.06354	0.9
165.12692	0.9
171.11665	0.6
173.13245	12.1
173.93008	0.6
175.14801	2.0
177.12726	2.3
181.07014	0.5
181.12268	0.6
187.14783	3.9
189.16327	2.0
191.14282	1.2
191.17929	1.3
201.11116	0.6
204.08714	1.3
205.15775	1.2
205.19475	6.5
215.17917	61.7
216.18312	0.8
217.14095	0.5
217.19473	1.0
231.22546	0.5
233.18968	86.9
234.19276	1.3
235.20518	1.8
251.19987	4.9
307.22629	29.4
325.11295	7.2
325.23679	68.8
326.23776	1.4
433.25708	0.7
447.08359	0.6
451.27011	1.2
469.27872	10.7
488.47113	0.7
631.32855	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	820.5911
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	6.2
67.05499	30.6
69.07044	11.2
71.63701	6.1
79.05470	15.8
81.07061	29.8
91.05442	9.0
93.07035	17.3
95.04952	4.8
95.08587	26.9
100.76619	4.9
105.06997	8.8
107.08562	17.6
109.10143	11.2
121.10105	13.0
123.11742	6.6
131.08507	6.2
160.80962	5.2
173.13129	6.2
184.07298	10.0
261.22070	18.4
297.75302	6.3
335.25739	100.0
336.25812	5.4
337.26910	5.4
595.46814	16.0
613.47595	6.7
791.57587	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	824.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
69.92495	1.2
69.92899	0.5
94.92986	0.6
98.21456	0.5
109.58141	0.3
112.89565	1.4
113.47381	0.3
114.89314	0.5
125.60245	0.3
138.93839	0.4
139.91440	100.0
141.46870	0.2
222.98724	0.3
230.88556	1.1
232.92209	0.6
248.89577	0.6
282.66232	0.3
301.95901	0.4
306.85349	0.4
349.84500	0.3
370.59692	0.3
380.74582	0.4
380.78915	0.4
381.07858	41.1
382.08212	1.9
419.03696	0.4
421.03525	0.8
422.03687	0.5
445.80984	0.3
482.02759	2.3
627.27179	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.4474
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02898	0.7
67.05499	1.3
69.07054	0.7
69.78465	0.5
71.58079	0.6
71.58488	0.8
73.45982	0.5
75.83012	0.5
79.05473	0.8
81.07036	1.2
90.55163	0.5
90.96979	0.5
91.05454	0.5
93.07037	0.8
95.08598	0.8
104.42313	0.5
107.08557	0.7
109.10121	0.7
154.48338	0.6
160.34181	0.5
499.93631	0.5
507.23929	1.0
515.76691	0.5
715.40857	1.1
729.42072	0.7
817.44904	100.0
818.45093	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	818.6185
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07069	33.1
58.71732	0.6
67.05497	1.8
69.07059	5.8
71.08620	30.8
71.63765	0.9
73.02900	1.6
73.06550	10.4
77.52538	0.6
79.05462	0.8
81.07053	1.7
83.08620	5.8
85.10173	18.0
86.09696	1.1
87.04461	14.1
87.69637	0.6
89.06020	100.0
91.07572	1.5
93.07014	0.8
95.08593	0.8
97.10152	6.3
99.11726	2.6
107.07052	3.8
111.11684	3.4
113.06007	0.7
113.13285	1.8
117.09112	10.6
125.13238	1.8
127.14842	1.7
127.88012	0.7
130.08641	5.4
131.07027	4.3
133.08586	55.8
135.10136	1.6
141.16338	1.1
155.17932	0.7
161.11714	4.0
169.36557	0.7
175.09686	3.2
177.11208	27.2
179.12764	0.8
184.07387	2.4
211.24254	2.6
217.13963	0.7
219.12347	1.1
221.13826	4.6
223.15428	0.7
239.14948	1.7
255.23567	0.6
255.26775	3.4
255.66397	0.7
265.16422	1.5
283.17603	2.5
299.29419	7.0
300.29321	0.7
307.22800	0.8
327.20111	1.9
343.32199	4.2
353.22000	1.1
397.24390	1.1
591.36206	1.4
635.40906	0.7
661.49274	0.7
693.67896	0.8
801.59198	3.6
818.61658	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	808.554
Annotation	Unknow
Peak:m/z	Relative Intensity
56.45908	4.4
57.03414	17.3
61.02911	4.2
67.05489	97.5
69.07039	21.0
69.59224	23.2
69.59632	9.0
79.05048	6.9
79.05472	77.2
81.07042	89.4
83.04961	4.1
83.08601	12.9
86.09705	5.4
91.05460	73.8
93.07025	91.5
95.04937	11.9
95.08585	76.4
97.06501	6.1
97.10156	5.4
98.21474	5.4
105.07001	85.5
107.05020	4.2
107.08581	45.0
109.10133	25.8
117.06986	18.2
119.08568	51.9
121.10129	38.1
123.11641	7.1
128.63699	3.6
129.06931	12.7
130.07750	4.5
131.08539	36.1
133.10107	45.0
135.11653	30.5
137.09660	4.0
143.08510	11.4
145.10095	31.3
147.11671	45.7
149.13240	16.2
157.10095	11.4
159.11685	26.3
161.13222	26.7
163.14796	5.8
171.11711	11.8
173.13214	15.6
175.14761	10.6
183.11598	4.4
184.07338	17.5
185.13208	7.9
187.14793	7.5
197.13257	5.3
199.14691	7.6
201.16380	7.8
225.28624	5.0
227.17973	4.5
231.20988	5.2
241.19510	21.7
243.21048	7.6
257.18927	5.6
259.20529	57.9
261.22043	9.1
333.24124	50.6
335.25742	100.0
337.27011	5.6
519.41614	6.8
593.45624	15.8
611.46594	61.5
632.32281	4.1
825.79559	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	814.529
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03427	18.2
57.07067	2.1
57.84548	0.7
61.02916	2.2
65.03926	2.6
66.87101	0.7
67.05492	56.7
68.05813	0.6
69.03429	3.2
69.07055	24.8
69.46961	6.7
71.01347	1.2
71.04971	3.7
71.08610	1.0
73.02888	1.1
73.06534	1.3
77.03918	1.2
79.05477	50.5
80.05802	1.3
80.34295	0.8
81.03415	4.2
81.07040	100.0
82.07381	1.9
83.04973	5.4
83.08598	9.3
85.02909	3.2
85.06505	3.3
91.04890	1.1
91.05463	29.5
93.07023	56.7
94.07354	1.1
95.04958	8.4
95.08588	48.2
96.08922	1.0
97.02865	2.2
97.06507	7.8
97.10152	3.3
99.04434	1.1
99.08092	4.9
103.03947	1.6
105.04491	1.5
105.07011	21.5
107.04940	6.6
107.08570	28.9
108.08921	0.7
109.02928	0.6
109.06502	10.0
109.10137	18.7
111.04439	0.9
111.08073	3.2
113.09544	0.8
115.05456	0.8
116.06234	0.8
117.06994	11.5
119.08559	20.5
119.98501	0.7
121.06488	2.1
121.10124	30.9
123.08062	4.1
123.11682	5.7
125.05954	0.9
125.09614	2.4
127.03920	1.0
127.07533	4.9
128.06223	1.2
129.05524	0.8
129.06972	4.8
131.08540	20.4
133.06464	1.3
133.10109	13.9
135.08029	7.4
135.11662	10.5
137.09572	4.1
137.13226	1.3
139.11169	2.3
141.06973	1.5
142.07735	0.8
143.07027	3.7
143.08508	3.8
145.06441	1.4
145.08640	5.1
145.10095	17.2
147.08043	1.8
147.11630	8.4
149.09599	10.3
149.13225	5.7
151.11188	2.4
152.48752	0.7
155.08525	1.7
157.10117	3.2
159.08034	1.1
159.11650	8.7
161.08148	0.8
161.09613	3.2
161.13248	5.6
163.11148	4.1
163.14813	3.3
165.09148	1.5
167.10704	2.1
169.10049	3.5
171.11635	4.0
173.13214	6.0
175.09731	0.8
175.11160	1.4
175.14774	1.4
177.12730	1.2
177.16351	0.9
179.10762	1.0
183.11656	1.4
183.16275	0.7
184.07339	1.6
185.11710	0.9
185.13275	2.2
187.11217	2.3
187.14742	3.9
189.12683	1.1
189.16235	0.7
191.14275	0.9
197.13237	1.5
199.09618	5.5
199.14873	1.4
201.11179	31.7
201.16316	6.0
203.18002	1.0
211.14725	3.7
213.16325	0.7
217.15842	0.7
219.17465	2.2
227.17830	0.8
229.15901	7.5
239.12779	1.1
241.14308	23.3
241.19643	0.8
243.21056	4.2
247.16870	16.1
261.22083	15.6
263.16486	0.7
265.17844	4.2
281.17325	3.4
300.32074	0.7
307.22748	1.2
317.24759	1.9
321.20526	20.8
333.24176	1.1
335.25742	72.7
336.26071	1.8
339.21594	14.4
369.28073	0.9
391.30029	0.7
409.30991	1.2
423.32202	0.7
443.31705	1.1
461.32651	11.5
479.33817	3.7
483.34290	1.5
501.35651	29.0
502.35764	1.3
519.37231	1.9
541.38672	11.4
542.39197	0.9
581.41937	24.9
582.42603	1.1
599.42908	19.9
645.40131	1.0
760.66943	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	808.555
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	20.0
57.07065	3.7
61.02898	2.5
65.03924	2.3
67.05494	100.0
69.07059	18.8
70.13577	2.0
71.04978	4.7
71.63836	3.4
73.02882	2.4
79.05482	65.8
81.03423	3.1
81.06569	4.5
81.07047	87.4
83.04958	4.4
83.08604	15.4
85.02863	3.3
85.06510	4.1
91.05463	50.6
93.07027	71.0
95.04951	7.9
95.08597	70.0
97.02893	5.4
97.06509	6.9
97.10159	6.3
99.08118	2.7
104.62486	1.8
105.07014	38.7
107.04927	3.0
107.08575	42.4
107.54712	2.3
108.08889	3.5
109.06532	5.3
109.10142	37.5
111.08078	4.0
117.07012	13.9
119.08562	34.8
121.10114	31.7
123.08089	2.7
123.11703	5.7
125.09647	5.2
129.06982	4.7
131.08546	23.6
133.10110	27.5
135.11662	22.5
137.09483	2.9
143.08478	5.3
145.10129	17.5
147.11649	20.1
149.09647	3.4
149.13217	15.1
157.10088	5.5
159.11722	13.2
161.13220	13.1
163.11188	3.1
163.14867	4.6
171.11656	3.7
173.13219	10.4
174.59937	2.0
175.14781	6.2
179.14415	2.8
184.07423	3.3
185.13252	6.0
187.14761	5.5
189.16464	2.3
199.14729	3.6
205.15779	3.1
205.39876	2.1
219.17337	2.4
223.88013	2.1
227.12820	2.9
229.14279	4.9
233.22923	2.2
241.19475	7.5
259.20490	21.6
261.22107	7.6
277.21545	18.2
333.24286	15.1
335.25757	100.0
336.26184	2.4
337.27652	2.1
351.25250	44.9
392.95294	2.8
406.08453	2.1
435.73819	2.0
489.35736	2.3
509.31750	2.2
593.45612	3.2
611.46582	51.4
640.78253	2.9
646.50677	2.9
652.26154	2.5
745.58698	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	804.6022
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07065	31.0
59.04969	0.8
67.05489	1.7
69.03407	0.8
69.07051	5.1
69.83661	1.2
69.84077	2.0
71.08619	29.8
73.02905	0.8
73.06542	11.5
79.05477	0.6
81.07044	1.6
83.08596	3.9
85.02885	0.7
85.10163	18.9
86.09689	1.7
87.04456	14.1
89.06013	100.0
90.06347	0.8
91.07557	1.4
95.08579	0.9
97.10140	5.1
98.21439	1.0
99.11703	2.3
107.07052	5.0
109.10136	0.9
111.11684	4.0
113.05999	0.5
113.13282	1.6
117.09108	10.5
125.13254	1.8
127.14818	1.6
130.08620	5.6
131.07030	4.1
133.08578	55.4
134.08897	0.6
135.10136	1.3
139.14799	1.2
141.16371	0.9
146.98158	1.0
159.10115	0.6
161.11711	3.2
169.87964	0.5
175.09654	3.9
177.11191	27.7
184.07336	2.0
195.12112	0.5
197.22604	2.5
219.12369	0.6
221.13809	5.6
223.15402	0.8
239.14861	1.8
241.25237	2.1
246.56572	0.5
265.16388	1.0
283.17471	2.3
285.27841	9.2
295.81805	0.5
303.88675	0.5
309.19012	1.4
327.20197	1.5
329.30469	4.7
353.21500	1.4
397.24347	1.1
591.35596	1.1
621.48450	1.4
745.47137	1.1
787.57434	3.6
804.48212	2.5
804.61981	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	806.3645
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	6.5
57.07066	10.2
59.04995	2.1
61.02919	7.3
61.50045	0.5
67.05493	1.3
68.99791	3.0
69.03422	35.5
69.07060	47.8
69.54837	4.5
70.06591	4.5
70.07407	0.6
71.01355	1.2
71.04980	7.9
71.08622	8.2
72.08129	1.3
73.02914	5.7
73.06542	8.5
76.02218	0.8
79.05493	1.2
81.03409	26.8
81.07049	3.2
83.01323	1.5
83.04968	1.5
83.08607	2.6
84.04494	2.0
84.08132	1.8
85.02895	100.0
85.10170	4.0
86.09700	1.7
86.73483	0.5
87.00820	40.9
87.04466	1.5
89.06021	25.0
91.03937	1.7
91.05477	0.9
93.07041	1.1
93.81114	0.5
95.04978	0.8
95.08592	1.0
97.02882	49.7
97.06509	0.6
98.03207	0.8
98.20799	0.7
99.03822	0.9
99.04446	13.1
99.11720	0.8
101.02404	0.6
103.03950	1.5
105.01853	75.4
105.07015	1.0
106.02196	0.7
107.04935	0.9
107.07108	0.6
109.02871	34.1
109.10142	1.3
111.04468	2.7
111.11707	75.0
112.12018	1.3
115.03907	1.5
117.01827	2.0
119.08580	0.9
120.08102	0.7
123.02846	1.3
123.11740	0.7
125.02388	0.8
127.03901	77.1
127.11156	0.8
128.04218	0.9
129.01842	3.4
129.12740	99.7
130.13081	1.2
136.07497	0.6
145.04942	29.5
145.06110	1.4
147.02866	2.0
149.63525	0.5
151.03941	0.8
153.12677	0.8
159.02881	9.7
159.04176	0.4
163.05989	1.8
170.15388	1.6
171.02808	1.1
177.03333	0.8
185.91591	0.6
187.05925	0.7
189.03918	1.9
198.64760	0.6
199.16922	23.4
212.45122	0.5
213.03909	11.5
217.17967	73.7
218.18291	1.0
231.04965	41.2
235.88518	0.6
237.14821	1.1
238.08882	0.6
249.06049	26.2
253.07068	2.2
255.16016	0.6
262.23648	0.5
266.11948	0.8
271.08075	1.8
323.14935	1.1
339.06949	0.5
341.15881	1.6
357.07971	1.0
359.16946	9.2
375.09256	2.5
377.17862	1.8
393.10199	5.7
411.10992	1.9
412.01547	0.5
429.21170	1.7
447.22095	2.1
465.23398	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.4528
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05508	1.1
69.07038	0.6
71.63951	0.6
71.64378	0.7
81.07047	2.2
91.05473	1.0
104.01642	0.6
105.07009	0.9
241.24103	0.7
309.24374	1.7
310.24619	1.2
415.13361	0.6
504.37238	1.3
523.22797	1.2
759.50446	0.7
800.64532	0.8
801.45288	100.0
802.45758	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	801.4743
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03423	2.0
61.02912	5.0
67.05492	4.7
69.03411	3.5
69.07050	1.5
71.01376	0.7
71.03096	1.4
71.04980	0.6
73.02915	3.4
79.05479	4.1
81.03378	1.4
81.07047	4.3
83.04965	0.5
85.02888	3.7
87.04460	2.4
91.03947	3.3
91.05474	5.7
93.07034	6.0
95.04958	1.0
95.08585	3.2
97.02890	3.8
97.06508	0.6
98.96643	0.5
99.04444	0.6
101.02352	1.7
104.07098	2.1
105.07005	4.6
107.08586	3.6
109.02876	0.9
109.06549	0.6
109.10156	0.8
117.06982	1.2
119.08556	3.8
121.06477	0.7
121.10143	2.0
127.03944	0.9
128.39511	0.5
129.05489	1.0
129.07007	0.7
131.08572	1.5
133.10117	3.3
135.11708	2.0
145.10143	2.0
147.11705	1.6
157.10056	0.7
159.11739	0.8
163.11163	0.6
185.04243	1.3
230.17906	0.6
243.08371	3.6
289.17545	1.1
301.09000	0.8
313.08963	1.2
313.27606	0.8
315.10519	0.7
317.20987	0.9
350.06137	0.6
357.15372	0.9
437.17767	1.2
465.20804	0.9
497.20261	1.1
507.25583	9.5
535.28815	5.6
537.23132	0.6
593.29803	0.8
600.27771	0.7
607.30652	2.3
649.35223	0.6
801.47394	100.0
802.47430	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	798.5625
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05023	0.6
58.06366	0.1
58.06612	0.4
60.08154	6.3
67.05492	0.4
67.41898	0.1
69.40501	1.3
71.07365	3.5
76.63833	0.1
81.07053	0.3
86.09691	29.9
87.10042	0.3
91.05415	0.1
93.07014	0.2
95.08595	0.2
97.37510	0.1
98.21526	0.3
98.98448	2.7
98.99094	0.1
104.10732	2.4
107.08593	0.2
119.08569	0.2
124.99982	21.3
143.01006	0.2
166.02594	0.3
168.27443	0.1
184.07307	100.0
185.07693	0.8
200.66988	0.1
243.11516	0.1
360.32544	0.1
683.24170	0.1
780.55212	5.9
781.54517	0.5
799.36084	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	800.4775
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05017	2.5
57.03435	6.3
57.07066	1.5
61.02916	10.7
65.03911	2.3
67.05495	35.0
69.03410	13.3
69.07064	9.7
70.06589	4.0
70.68758	2.6
71.04980	2.6
72.04488	1.0
73.02893	3.6
77.03931	0.9
79.05479	24.2
80.04998	1.9
81.03407	31.9
81.07045	27.4
82.06588	0.8
83.04984	4.1
83.08601	3.3
84.04492	11.4
84.08150	2.4
85.02896	9.6
85.06503	1.0
86.06054	46.2
87.04455	30.2
88.53317	0.8
91.03950	4.4
91.05457	22.0
92.98626	0.8
93.07030	37.3
94.06541	3.0
95.04952	7.0
95.08593	37.2
96.08128	1.4
97.02872	6.5
97.06503	3.0
97.10115	1.1
98.06036	25.9
99.04472	1.2
102.05515	3.4
104.07089	33.2
105.07018	6.6
107.04916	1.2
107.08572	10.5
109.02834	1.3
109.06503	1.6
109.10146	12.5
110.06046	0.9
110.09654	3.3
111.08124	1.1
112.07587	11.8
116.60651	0.8
117.07000	2.8
119.08563	15.0
119.09354	1.4
120.08060	1.1
121.06486	34.0
121.10117	11.0
123.08056	5.0
123.11673	3.3
124.07562	2.5
126.05493	1.2
126.92700	0.9
127.03828	1.2
129.07010	1.6
131.08540	5.6
133.10123	3.1
135.08055	1.3
135.11678	3.5
136.07581	1.7
136.11182	3.7
137.09604	14.3
138.09093	6.7
139.07535	1.4
139.11192	1.2
140.07040	2.4
142.08598	2.1
143.78073	0.9
145.10072	2.1
147.08057	4.0
147.11690	1.1
148.07559	3.4
149.09576	3.9
149.13223	1.8
150.09120	1.1
152.07053	1.2
153.01801	2.3
156.10181	2.7
158.08093	6.2
159.11690	1.5
160.11102	1.0
161.13239	1.3
163.14838	1.1
164.10689	3.9
165.09087	11.5
166.08653	1.4
166.12173	0.9
167.10637	2.8
173.13225	1.6
178.12248	33.8
182.11760	2.2
183.10117	2.9
184.13350	2.0
195.10124	1.3
200.12756	1.1
204.13770	1.7
206.11737	10.5
208.13206	1.0
214.12285	1.1
218.95044	1.0
219.04198	0.9
222.14874	2.3
224.12778	4.4
232.13280	14.5
239.12750	26.0
240.15932	4.6
242.13736	4.7
243.21153	1.0
250.14319	7.8
261.22089	3.7
268.15399	6.7
280.15384	1.8
286.16394	4.3
307.22702	1.3
316.17484	4.1
324.18008	1.7
332.20682	0.9
334.18558	2.9
335.25754	25.4
336.26099	1.3
341.24698	0.8
342.18948	5.8
343.19351	1.1
360.20129	6.6
425.30252	1.2
470.26337	1.1
477.15204	6.9
499.33990	7.5
517.35162	5.6
551.18744	1.2
576.39093	6.2
594.39935	33.4
595.40295	2.2
602.39886	2.4
617.01929	1.0
620.41449	100.0
621.42004	5.3
638.42255	2.8
738.43805	2.6
752.73712	1.0
756.44843	9.1
782.46704	76.3
783.47400	6.4
800.50031	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	797.5159
Annotation	Unknow
Peak:m/z	Relative Intensity
56.02741	0.5
56.29028	0.5
57.03420	2.1
59.23446	0.5
59.90232	0.5
61.02917	7.3
65.03941	0.6
65.60466	0.6
67.05494	6.5
69.03421	5.0
69.07066	1.8
71.01353	0.6
71.04979	1.0
71.12013	1.6
71.81907	0.5
73.02908	5.4
79.05482	4.8
81.03402	1.3
81.07045	7.5
83.08607	0.8
85.02888	6.9
86.02212	0.5
86.09724	0.6
87.04434	0.7
91.03951	4.1
91.05497	3.2
93.07024	4.9
95.08589	5.3
97.02872	6.9
99.04432	0.8
101.02336	2.6
105.07043	1.6
107.08585	2.0
107.09230	0.5
109.02858	0.6
109.10151	1.9
119.08594	1.6
121.10133	1.5
127.03907	2.6
131.08574	1.1
133.10088	0.9
135.11707	1.3
147.11731	0.7
149.13252	1.1
159.11736	0.5
161.13274	0.7
175.14822	0.6
184.07347	1.3
185.04179	1.2
203.05272	0.8
243.08444	2.3
261.22266	0.8
316.75125	0.8
335.26022	1.4
519.29279	11.3
525.81317	0.7
553.91565	0.6
797.51599	100.0
798.51978	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	796.5191
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	35.7
57.07059	2.9
57.54448	1.3
61.02900	3.4
65.03938	4.7
67.05496	97.8
69.03431	7.7
69.06708	2.7
69.07059	27.0
69.66309	2.2
69.66724	7.4
71.04994	6.3
73.02921	2.2
79.05484	87.1
80.05821	1.3
81.03410	7.6
81.07047	100.0
82.07395	1.7
83.04974	8.1
83.08617	13.6
85.02905	7.4
85.06530	8.3
87.93684	1.4
91.05470	80.0
93.07030	88.2
95.04956	15.6
95.08594	65.3
95.09215	1.8
97.02875	3.7
97.06517	12.3
97.10156	5.4
98.21458	2.8
99.04449	2.5
99.08100	6.4
103.03970	1.4
103.05470	3.1
105.07015	62.6
107.03413	1.2
107.04247	1.2
107.04957	5.6
107.08576	38.8
107.09278	2.5
107.33178	1.5
109.02855	1.6
109.06516	10.6
109.10147	24.4
111.08058	6.6
113.09681	1.3
113.89333	1.2
115.05447	7.1
116.06219	2.8
117.07000	45.7
119.08565	47.5
121.06487	5.3
121.10132	42.3
123.08071	5.4
123.11696	6.5
125.09615	3.6
127.03938	3.3
128.06209	4.6
129.05542	7.1
129.06987	23.6
130.07764	3.3
131.08553	61.1
133.06480	3.8
133.10110	38.7
135.08037	17.8
135.11682	23.5
137.09615	5.2
137.63589	1.4
139.11172	2.0
141.06967	13.8
142.07767	5.3
143.08566	15.7
145.06493	3.4
145.10104	68.1
147.08051	4.8
147.11658	26.5
149.09602	15.6
149.13237	12.0
151.11107	2.6
153.09108	1.7
154.07718	2.9
155.08517	11.5
157.10107	37.1
158.10855	1.8
159.08063	5.3
159.11676	26.5
161.09575	7.3
161.13272	8.1
163.11172	11.8
163.14783	2.1
167.08551	2.7
168.09335	1.6
169.10110	21.8
171.11702	14.2
173.04524	2.1
173.09634	6.8
173.13239	20.8
175.11172	29.9
175.14783	2.8
177.12752	6.0
181.10092	3.4
182.10918	3.5
183.11668	10.6
185.13252	12.9
187.11182	6.8
187.14761	14.1
189.12778	4.2
189.16309	2.5
191.14307	5.8
195.13847	1.7
197.13286	1.7
199.14825	3.0
201.12747	4.0
201.16359	15.2
203.17944	2.0
205.15929	2.2
209.13208	2.1
211.14803	33.1
213.16348	4.8
215.17924	7.0
223.14861	1.8
225.16389	1.4
227.14471	3.1
229.15843	83.2
230.16310	2.4
231.17450	5.3
233.18990	4.6
237.16374	1.8
239.17935	1.6
245.15538	2.4
246.39729	1.2
247.16910	31.3
247.20589	1.6
249.18381	1.9
255.15707	2.9
256.92078	1.6
257.18970	1.9
259.20569	3.1
261.22174	4.5
269.17422	14.7
275.19992	8.0
303.19525	9.7
305.21008	1.5
307.22604	46.3
308.23236	1.8
321.20575	39.0
321.24274	2.7
333.24185	5.0
335.25760	89.4
336.26096	3.0
347.64160	1.3
349.23688	7.5
367.24918	1.7
403.25150	1.5
413.22003	2.5
417.05518	1.6
487.34106	10.4
489.36813	2.8
501.35675	40.5
502.35754	3.3
507.38519	2.4
509.06775	1.5
527.37311	2.2
541.38818	2.8
563.40808	2.1
581.05634	1.4
581.41956	61.1
582.42255	5.1
599.43011	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	794.5757
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	17.8
57.06726	1.2
57.07056	7.5
61.02913	4.1
65.03915	2.8
67.05495	88.3
69.03402	1.9
69.07055	37.9
69.40559	10.4
69.40965	2.6
71.04963	1.9
71.08607	3.8
79.05480	40.8
81.03345	1.7
81.07041	92.7
83.04974	3.2
83.08610	18.3
85.02869	4.6
85.06525	2.0
85.10155	1.4
87.04436	5.3
88.05713	1.4
89.06029	1.6
91.03918	1.9
91.05466	26.9
93.07029	54.6
95.04937	4.8
95.08591	80.0
96.08910	1.6
97.06521	3.3
97.10160	9.4
99.08098	1.9
100.45124	1.6
105.06370	2.4
105.07011	21.8
107.08578	25.9
109.06546	1.7
109.10136	31.1
111.08080	2.7
111.11704	2.1
113.09620	1.4
117.06979	4.7
119.08555	22.7
121.10130	25.9
123.11678	13.9
131.08551	12.8
133.10095	15.8
135.11674	15.7
137.13217	5.9
143.08592	2.0
145.10115	8.6
147.11662	10.7
149.13223	10.8
151.11151	1.7
151.14853	1.8
159.11603	8.3
161.13229	7.0
163.14841	7.3
165.16414	1.8
171.11646	3.2
173.13237	5.2
175.14760	6.7
177.16403	3.0
184.07370	3.6
185.13257	2.0
187.14835	3.4
189.16386	1.6
201.16335	2.4
233.22687	2.3
241.19681	1.5
243.20984	6.1
245.22591	2.6
259.20541	5.9
261.22134	19.8
263.23529	5.5
317.24539	4.6
332.43692	1.5
333.24176	4.1
335.25754	82.5
336.26132	2.2
337.27316	100.0
338.27692	4.0
339.28952	4.1
378.84818	1.4
523.45184	5.8
541.46039	2.4
577.51721	2.0
597.48651	33.4
615.49707	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	794.5029
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	11.0
57.07074	3.4
65.03935	5.0
67.05173	2.0
67.05492	51.2
69.07050	12.2
79.05476	44.7
81.03392	3.4
81.07040	100.0
83.08609	3.2
85.02894	5.1
86.07211	2.2
86.09679	2.8
87.04446	12.1
87.31972	2.4
89.99444	2.3
91.05472	25.8
93.07024	42.6
95.04951	8.6
95.08589	98.2
97.06470	4.8
99.08059	4.1
105.07027	24.7
107.04920	4.6
107.08583	20.8
109.06500	4.1
109.10146	8.9
117.07019	9.3
119.08550	16.2
121.06510	8.0
121.10115	13.2
123.08040	64.7
123.11651	2.8
125.09695	2.9
129.06975	3.1
131.08582	13.0
133.06453	4.6
133.10110	18.2
135.08032	5.3
135.11694	10.9
137.09599	3.0
141.09050	6.1
143.08542	5.8
145.10101	9.3
147.08038	3.0
147.11667	9.5
149.05954	4.6
149.09657	4.4
149.13245	5.4
151.07541	20.2
157.10107	7.4
159.11653	3.6
161.09708	4.0
161.13330	2.7
165.09047	4.7
171.11639	3.1
173.13199	3.3
175.14873	3.2
183.10153	3.5
184.07349	5.3
199.14755	6.4
201.41602	2.5
213.16371	3.6
217.15837	4.8
223.09558	3.2
225.11160	93.0
227.14352	2.8
231.17439	6.2
235.16940	3.4
243.20947	3.6
245.15314	11.0
261.22156	11.9
263.16409	15.4
288.81317	2.6
305.21082	3.3
319.18973	6.8
334.66150	2.7
335.25711	52.0
335.29324	4.0
337.20068	22.6
485.32144	5.4
503.33603	10.3
539.42084	2.3
579.40179	4.7
583.43384	5.7
597.41376	44.8
794.50031	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	794.5034
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	10.1
57.07029	1.7
59.04966	0.9
61.02874	1.6
65.03925	3.2
66.53365	0.6
67.05495	53.9
69.03423	8.7
69.07059	28.1
69.07417	1.0
71.04946	2.2
71.63776	0.6
77.03864	0.8
78.19183	0.7
79.05480	56.2
80.05779	1.1
81.03410	5.2
81.07044	44.9
83.04962	4.2
83.08608	11.6
85.02854	2.0
85.06498	2.2
86.09688	0.7
87.04403	2.0
91.05466	29.0
93.07029	51.4
94.07323	0.8
95.01291	1.0
95.04955	11.8
95.08594	27.9
97.02877	10.6
97.06514	4.0
97.10156	11.9
99.08037	2.3
103.05426	0.9
105.04476	1.1
105.07015	21.1
107.04951	6.2
107.08575	22.3
109.02803	0.6
109.06512	4.9
109.10136	14.3
111.08070	3.0
115.05411	0.8
117.06997	9.0
119.04887	1.2
119.08556	16.4
121.06495	4.2
121.10120	21.5
123.08031	4.5
123.11676	3.7
124.99920	0.8
125.09595	9.4
129.05444	0.7
129.06996	3.4
130.07727	0.8
131.08557	15.0
133.06410	2.7
133.10110	10.1
134.07246	1.2
135.08003	4.5
135.11676	10.9
137.09544	2.7
137.13182	0.7
142.07779	0.7
143.08546	3.4
145.06441	1.2
145.10100	10.8
147.08022	5.2
147.11667	5.6
149.09579	3.0
149.13240	4.9
151.11041	0.7
153.09056	1.1
157.10127	3.3
159.07997	1.0
159.11697	5.7
161.09550	2.5
161.13159	1.6
163.11086	2.1
165.09035	1.4
169.09959	0.8
169.12202	0.6
171.10170	0.9
171.11621	1.8
171.17625	0.6
173.09447	0.9
173.13243	3.5
175.11107	2.3
175.14812	1.1
177.12715	1.6
179.10541	0.7
184.07269	2.0
185.13115	0.7
186.52533	0.6
187.11073	0.7
187.14775	1.1
189.11169	3.7
189.12685	1.0
193.12195	1.1
195.11653	0.9
195.13777	0.8
197.13217	0.6
205.12260	1.1
205.19438	0.7
209.13300	0.6
211.13078	1.0
211.14851	0.9
213.16341	0.7
215.17940	10.6
223.13251	18.8
227.12694	3.4
231.17531	0.7
233.18985	9.9
245.18858	1.5
249.14780	3.2
267.15964	0.8
273.18481	12.4
283.15390	0.9
285.16727	0.8
289.21655	0.9
291.19495	98.6
292.19772	3.7
307.22626	94.4
308.22830	2.2
335.25842	1.0
337.19934	0.9
347.22058	1.5
365.23184	56.4
366.23431	1.1
477.32028	1.0
499.34586	0.9
517.35175	4.8
579.40228	2.8
597.41418	100.0
598.41754	5.0
615.42548	1.4
697.30878	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	794.5029
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03427	13.4
57.07069	5.1
61.02908	2.6
65.03934	3.2
67.05494	87.6
67.42947	2.3
69.03423	7.4
69.07056	75.7
71.04996	4.7
71.52428	3.8
73.02893	2.4
79.05481	100.0
81.03411	11.2
81.07043	82.4
83.04972	13.0
83.08613	7.8
85.02911	2.7
85.06516	2.6
87.04463	10.4
91.05467	69.9
91.18491	2.3
91.21961	2.3
93.07027	97.1
95.04961	19.0
95.08591	58.3
97.02862	7.6
97.06510	13.6
97.10133	3.3
99.08064	4.7
105.06374	3.2
105.07021	42.1
106.07404	2.3
107.04935	12.7
107.08577	40.7
109.06493	7.3
109.10146	26.2
111.04417	4.1
111.08037	3.8
115.05377	2.7
117.06989	18.7
119.08559	47.8
121.06467	6.1
121.10126	85.5
123.08041	11.9
123.11663	6.3
125.05938	4.0
125.09634	3.9
129.06982	15.7
131.08548	40.0
133.06480	4.6
133.10117	35.1
135.08038	8.0
135.11642	12.9
137.09592	6.4
141.09071	5.9
142.07719	3.3
143.07002	8.7
143.08536	13.5
145.10094	17.6
147.08038	12.0
147.11644	11.6
149.09578	28.6
149.13277	7.3
151.07518	5.2
151.11185	9.9
152.35143	2.4
155.08453	2.4
157.10085	11.0
157.33000	2.1
159.08064	3.0
159.11656	10.6
161.09543	5.2
161.13249	7.2
163.11127	4.1
163.14822	2.6
165.09111	9.7
171.11665	6.0
173.09598	2.5
173.13280	5.6
175.07590	2.3
177.09103	6.1
183.11649	3.6
184.07301	3.7
185.13242	3.5
187.14891	2.6
189.16389	8.5
195.10025	2.5
199.09634	4.7
199.14818	13.6
201.16472	6.3
215.18077	2.7
217.15819	19.9
227.14352	5.4
233.19006	2.8
239.12833	3.3
245.15318	14.9
247.32516	2.3
253.14273	12.2
261.22159	9.3
263.16364	14.3
273.18533	9.1
279.68448	2.3
291.19550	9.1
307.22638	33.1
319.18973	4.4
335.25729	86.7
336.25662	2.6
337.20038	55.9
347.22256	2.9
365.23242	13.2
503.33643	8.8
517.35132	4.8
597.41418	99.6
598.41479	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	794.503
Annotation	Unknow
Peak:m/z	Relative Intensity
56.47168	0.9
57.03429	14.0
57.07067	3.3
59.04992	1.0
60.08143	1.8
61.02911	2.0
65.03939	4.4
67.05495	79.4
69.03425	6.9
69.07059	67.5
69.33509	1.9
69.33910	9.9
71.00302	0.8
71.04971	3.6
77.03912	1.1
79.05482	85.2
81.03405	6.0
81.07046	68.9
81.07420	0.8
82.07362	0.9
83.04968	14.3
83.08614	6.5
85.02901	2.0
85.06523	2.9
86.09686	3.3
87.04461	5.1
88.54668	0.9
91.05470	67.3
92.05782	1.1
93.07031	79.9
94.07350	2.1
95.04953	13.2
95.08594	51.1
97.02884	12.3
97.06508	14.0
97.10119	2.3
99.08091	2.1
103.05466	2.0
105.04523	1.9
105.07019	32.3
107.04943	13.2
107.08575	32.2
109.06496	6.4
109.10139	19.4
111.08066	2.2
115.05433	1.9
116.06229	1.4
117.06992	12.7
119.03368	1.8
119.08565	55.4
120.08923	1.0
121.06503	3.5
121.10123	71.3
122.10464	1.6
123.08051	9.7
123.11701	3.5
124.99973	3.2
125.05959	2.2
125.09641	2.3
128.06197	5.5
129.06999	16.6
131.08545	44.8
133.06471	5.3
133.07353	1.0
133.10117	29.0
135.08023	5.0
135.11684	9.9
137.09584	4.5
137.13298	1.6
141.06995	2.2
141.09059	2.3
142.07771	3.3
143.07018	8.3
143.08527	14.8
145.06503	1.8
145.10100	15.7
147.08026	18.3
147.11647	10.4
149.09598	25.9
149.13231	3.5
151.07510	5.7
151.11165	3.9
153.09149	1.1
155.08572	2.1
157.10109	13.9
159.08058	1.5
159.11636	10.1
161.08194	1.8
161.09576	5.8
161.13264	8.7
163.11124	1.8
163.14755	1.5
165.09084	5.5
167.08539	1.7
167.10701	1.6
169.10066	1.3
170.10896	1.3
171.11656	5.2
173.13260	6.9
175.07472	2.8
175.11116	1.6
175.14793	3.3
177.09087	6.6
179.07021	3.3
183.11678	1.9
184.07343	12.3
185.13293	2.8
187.14674	2.1
189.09155	2.0
189.16367	11.8
191.14409	1.0
195.10181	2.4
197.13216	1.5
199.09639	3.4
199.14799	21.5
201.16341	6.8
203.14360	1.9
209.13297	1.5
217.15842	23.1
219.17435	1.8
225.16541	1.1
227.14297	8.4
239.12854	3.8
241.19447	1.4
243.21043	4.0
245.15340	24.6
246.15610	1.5
259.20984	1.1
261.22128	10.9
263.16367	12.7
307.22687	1.4
317.24780	4.5
319.19064	5.8
335.25751	100.0
336.26270	5.2
337.20032	63.8
338.20343	3.3
441.71509	1.1
499.33960	3.0
517.35297	5.4
579.40076	3.7
597.41412	99.4
598.41742	9.8
615.41766	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	792.5598
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.7
55.05502	14.5
57.03429	10.8
57.07065	2.6
57.62595	0.4
61.02919	3.1
61.83645	0.5
63.49755	0.4
65.03936	2.6
67.05492	58.0
68.05811	0.4
69.03429	0.9
69.07055	15.5
71.04985	1.7
71.34726	1.1
73.02895	0.8
77.03904	0.7
79.05479	36.7
81.03427	0.7
81.07043	60.3
83.04965	1.6
83.08607	7.6
85.02885	2.6
85.06519	2.2
91.03938	1.1
91.04889	0.8
91.05464	21.6
93.07028	44.9
94.07331	0.7
95.04961	4.3
95.08589	47.8
96.04482	0.5
96.08895	0.6
97.02876	1.9
97.06496	2.7
97.10155	3.3
99.08062	1.2
105.04486	0.8
105.07016	16.8
105.58402	0.4
107.08578	25.1
109.06512	1.4
109.10136	22.5
109.10899	0.9
111.08080	1.6
111.11716	0.6
113.09632	0.4
117.07002	7.2
119.08564	15.2
121.10127	21.3
123.08082	1.1
123.11681	8.8
125.09603	0.7
129.06995	1.6
131.08545	11.6
132.08867	0.6
133.10103	12.9
133.11060	0.8
135.08047	0.5
135.11661	15.3
137.09590	0.6
137.13223	3.0
139.11160	0.5
142.07825	0.5
143.08548	1.4
145.10098	10.1
147.11668	10.3
149.09641	0.8
149.13235	9.6
151.14789	1.0
157.10085	1.4
159.11661	8.7
161.13240	8.1
163.11217	0.5
163.14787	3.9
168.71141	0.5
169.10139	0.8
171.11650	1.8
173.13232	9.3
175.14781	3.5
177.12723	0.8
177.16396	2.0
179.14285	0.5
185.13228	2.4
187.14784	3.2
189.16319	0.7
191.14279	0.6
195.13899	0.6
199.13206	0.6
199.14867	1.8
201.16383	1.5
203.18002	0.8
205.15836	0.6
213.16428	0.9
215.18077	0.7
217.19444	0.9
231.21054	1.1
233.18826	0.5
233.22633	0.7
241.19565	3.2
243.21062	5.9
245.22681	0.6
259.20544	8.3
261.22092	18.0
262.22363	0.8
263.23709	1.4
273.21869	0.5
275.20087	0.6
277.21542	0.6
285.22177	0.6
287.23697	0.6
299.23483	0.8
315.23221	0.8
317.24722	2.9
323.25690	0.6
333.24152	6.5
335.25739	100.0
336.26028	3.5
337.27319	9.9
339.28848	0.5
503.36444	0.6
503.42853	0.6
521.43365	2.2
529.39343	0.5
531.40564	0.6
539.44257	0.8
595.47095	17.1
596.47186	0.8
613.38879	0.7
613.48212	12.9
614.48041	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.3833
Annotation	Unknow
Peak:m/z	Relative Intensity
56.35809	0.8
57.03431	19.7
57.07056	1.2
61.02917	72.6
65.03918	1.0
67.05163	1.4
67.05496	21.3
68.09549	0.7
69.03419	21.8
69.07060	4.6
70.06583	1.1
71.01338	2.6
71.04975	5.4
71.12115	1.7
71.12460	1.0
73.02906	26.5
75.04460	2.6
79.05479	21.8
81.02963	1.6
81.03410	15.8
81.07046	22.7
83.01325	1.5
83.04964	2.8
83.08611	3.2
85.02891	100.0
85.06548	1.4
86.09686	1.0
87.04436	3.4
88.46984	0.9
91.03942	54.8
91.05458	12.0
93.07029	25.8
95.04941	3.1
95.08591	16.5
97.02874	66.0
97.06486	2.5
97.10186	1.1
98.03239	0.9
99.04437	14.9
99.08080	2.0
101.02340	4.7
103.03927	15.8
103.05463	1.1
105.07026	9.5
107.08572	11.8
109.02865	14.0
109.06485	2.4
109.10132	6.6
111.04420	2.8
111.17338	0.8
113.09576	1.1
115.03914	8.3
117.05485	3.2
117.06989	4.4
119.08561	7.7
121.06541	1.5
121.10120	14.1
123.11695	5.4
125.09682	1.3
127.02958	1.9
127.03892	34.0
129.05450	5.0
129.06973	1.8
131.08559	8.6
133.10123	8.8
135.08069	1.7
135.11662	12.9
137.05980	2.3
137.09618	1.4
143.08519	1.1
145.04938	30.3
145.10115	8.0
147.11661	6.3
149.09570	1.7
149.13211	7.5
151.11137	1.2
153.09125	0.8
155.08604	1.1
157.10098	1.6
159.11673	9.0
161.13263	2.6
163.06003	21.4
163.11208	2.0
169.10071	1.0
171.06487	1.8
171.11607	2.3
173.09505	0.9
173.13251	5.2
175.11125	1.0
177.12790	1.3
183.06526	9.0
183.11539	1.3
185.09616	1.2
185.13252	1.0
187.14830	1.6
189.16302	1.8
191.14256	1.1
193.31421	0.8
201.07536	10.1
213.16426	2.1
215.17917	19.9
219.08647	2.8
227.65965	0.8
231.17386	2.9
233.18976	21.6
233.21202	0.8
251.20111	1.6
275.20023	2.0
289.09082	1.4
299.20154	1.2
307.22626	46.4
308.23022	2.1
317.21313	1.1
325.23669	3.2
335.22177	4.4
341.21164	2.0
349.23584	3.6
359.22000	1.4
361.23520	1.0
365.23514	1.0
391.24994	1.0
403.24658	1.3
415.24744	3.6
418.65527	1.0
433.25797	3.6
451.26767	12.3
467.20505	4.1
469.27859	3.1
476.22824	1.1
485.21298	2.4
508.73257	1.0
545.92102	1.0
772.48663	1.0
793.39178	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.5577
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	0.2
56.05021	0.6
57.91298	0.1
58.06348	0.2
58.06619	0.4
60.08153	6.0
67.05486	0.4
68.03213	0.1
69.07044	0.2
71.06973	0.2
71.07361	3.1
71.52454	0.1
71.82850	0.1
79.05470	0.3
81.07035	0.3
86.09690	31.1
87.10020	0.1
91.05508	0.2
93.07001	0.2
95.08574	0.2
98.98441	3.1
104.10725	2.8
105.07030	0.1
105.99953	0.1
119.08543	0.2
124.99984	20.4
126.00363	0.1
143.01041	0.4
154.56680	0.1
154.83928	0.1
163.01541	0.1
166.02618	0.4
184.07307	100.0
185.07643	1.0
189.65173	0.1
596.58264	0.1
650.44147	0.2
690.47186	1.9
772.54443	1.1
790.55786	4.5
791.55658	0.3
793.78918	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	792.56
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	12.1
57.03432	8.5
61.02924	4.9
65.65850	3.4
67.05162	4.7
67.05492	54.5
69.07047	11.4
69.94474	5.6
69.94893	18.8
77.12357	3.4
79.05493	32.9
81.07043	46.2
83.08607	7.1
85.02915	3.4
91.05478	22.8
93.07032	45.1
94.07358	4.8
95.08585	39.7
95.41341	3.3
98.20689	3.4
105.07001	14.3
105.68205	4.2
107.08548	23.6
109.10137	17.4
113.77235	3.1
117.06988	4.7
119.08559	15.5
121.10116	26.8
123.11649	11.8
130.15884	6.6
131.08543	9.0
133.10104	16.1
135.11682	19.5
145.10094	8.5
147.11684	8.9
149.13226	11.1
153.69122	3.8
159.11656	8.2
161.13242	8.4
173.13251	7.3
184.07266	7.1
187.14787	3.5
215.17961	18.0
231.17432	5.9
233.18973	12.7
259.20633	7.6
261.22107	12.5
307.22632	72.9
308.22964	9.5
309.23758	5.0
317.24524	4.1
335.25757	100.0
336.26154	6.3
337.26788	6.1
393.96561	4.3
411.03488	3.6
493.40234	5.3
567.44147	23.1
585.45251	9.4
777.34637	4.4
792.55035	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	790.5447
Annotation	Unknow
Peak:m/z	Relative Intensity
66.33375	3.4
67.05486	18.3
69.07074	3.9
70.69196	10.2
72.24171	3.3
79.05494	12.5
81.07050	20.0
83.08617	3.9
91.05478	7.3
93.07038	16.6
95.08585	20.2
105.07010	8.6
107.08582	13.8
109.10139	10.9
116.68300	3.3
119.08569	7.9
121.07874	3.3
121.10143	17.8
123.11638	6.4
129.05545	3.7
131.08562	9.1
133.10106	14.1
135.11693	21.2
145.10161	7.6
147.11641	13.3
149.13229	15.8
159.11662	8.3
161.13231	4.4
173.13188	9.9
175.14839	4.9
184.07347	11.3
187.14793	7.7
205.19485	4.5
206.10184	4.1
213.16388	8.0
215.17964	20.6
231.17441	7.6
233.18950	16.4
241.19586	5.1
243.21259	3.3
259.20575	8.1
261.22098	16.5
269.37265	3.9
307.22595	97.0
308.23022	4.1
309.24216	10.3
317.24710	4.4
335.25772	100.0
337.27286	6.5
367.81665	3.4
493.40085	4.5
567.44055	24.4
585.45111	21.7
604.80542	3.7
792.62769	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	786.2799
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	3.5
55.05484	0.5
56.62040	0.4
57.03419	2.9
57.96346	0.4
61.02919	2.9
61.36942	0.3
68.99768	1.7
69.03413	17.7
69.34068	3.7
70.06573	3.9
71.01321	0.4
71.04990	2.2
71.05306	0.3
72.08128	1.4
73.02907	2.7
74.06037	0.4
79.05469	1.4
81.03400	11.3
81.07055	0.9
83.01340	0.4
83.04964	0.6
84.04485	1.5
84.08133	3.9
85.02888	44.1
86.09689	4.8
87.00812	15.1
87.04425	0.3
88.03990	0.5
91.03945	0.7
91.05461	4.0
93.07011	1.4
94.04156	2.4
95.04918	0.7
97.02873	14.0
98.20705	0.6
99.04442	6.1
101.02364	0.4
102.05553	0.4
103.03970	0.9
103.05428	1.9
105.01844	21.1
105.07018	5.7
107.04947	1.3
109.02856	15.1
109.06495	1.3
111.04401	0.7
115.03876	0.8
115.05434	2.5
117.01815	1.2
117.07001	1.8
119.04903	1.2
119.08575	1.7
120.08056	0.7
121.06477	1.4
122.03611	4.9
123.04379	0.5
127.03890	30.1
128.04219	0.4
128.06204	0.9
129.01816	2.3
129.06943	1.6
129.10245	2.5
131.04890	2.2
132.05676	1.3
133.06474	4.1
135.04369	0.4
136.06168	2.6
136.07480	0.4
137.05949	100.0
138.06271	1.2
143.04797	0.6
144.05661	0.7
145.04930	11.5
145.06425	2.6
146.03558	0.5
147.02872	1.8
147.04350	1.4
147.08046	2.5
149.05971	4.4
151.03876	1.0
151.07503	1.3
155.04887	1.6
157.06372	0.5
159.02870	5.5
159.08015	2.2
160.05173	1.1
161.05952	15.9
162.06728	2.5
163.07501	3.3
165.06941	0.4
168.05580	0.4
169.06506	0.4
169.09737	0.4
172.05223	0.5
173.05959	1.2
175.07518	25.5
177.03902	0.9
177.09094	0.8
179.07053	1.0
179.08511	0.4
181.04948	0.8
185.05891	0.8
187.05859	0.5
187.07523	10.0
189.03951	1.9
189.05402	0.4
189.09103	1.2
190.07700	2.3
191.06914	0.7
191.08536	7.4
193.04909	0.6
193.08537	3.8
199.07474	4.1
202.07777	0.9
203.06848	0.5
203.08568	1.8
205.06856	0.6
205.08409	2.2
207.08066	0.8
208.08810	0.7
213.03900	1.9
215.13982	0.4
217.08525	1.6
218.07175	2.0
219.08005	12.0
220.08830	1.8
221.06035	0.6
225.09201	0.5
229.08554	0.7
231.04956	10.6
231.08009	2.7
232.08800	0.6
233.06509	0.5
233.09511	0.8
235.07523	0.8
236.08305	2.3
237.08887	0.7
239.10646	0.4
241.08508	0.5
245.09770	0.5
247.07449	5.0
248.08260	2.1
249.05954	2.7
249.08696	0.7
251.10619	21.5
252.11012	0.5
253.08572	1.1
259.07544	2.1
260.08139	0.6
261.09006	1.1
263.10507	1.8
264.07770	1.6
264.59155	0.4
265.08514	0.9
266.08871	0.5
267.59680	0.4
269.11722	0.4
271.07831	0.5
275.10690	0.5
276.07721	0.9
277.08533	0.7
279.10089	17.3
280.10626	1.4
281.07977	1.2
283.09702	0.5
283.12933	0.4
291.10120	5.0
292.10803	0.4
293.11700	0.6
295.09650	0.5
296.10345	1.1
297.11447	0.5
303.10025	0.9
308.10214	0.6
309.11212	1.4
311.12711	60.1
312.12964	1.3
321.11182	1.4
323.12723	18.0
325.14291	1.2
329.13977	2.2
329.17245	0.4
333.11163	1.0
335.12680	2.3
337.14508	0.5
341.13782	9.6
347.12738	0.7
348.06888	0.7
353.13834	2.9
359.14703	0.7
365.13818	1.0
377.13763	1.1
381.05978	0.4
401.13806	2.5
419.14755	1.5
439.10349	0.4
505.14761	1.1
523.15741	2.7
541.16669	2.4
559.17847	3.5
560.18585	0.4
580.29742	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	784.2644
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.6
61.02893	0.6
69.03413	2.3
70.00364	1.1
70.00761	0.9
70.06586	3.0
71.04976	0.5
72.08129	0.8
81.03394	0.5
84.04482	2.4
84.08117	1.1
85.02892	5.1
86.06120	0.4
86.09203	0.7
86.09692	10.0
90.65934	0.4
91.03929	0.4
91.05458	2.9
97.02865	1.7
102.03348	0.3
102.05526	0.9
105.01830	1.2
107.04935	0.6
107.73158	0.3
109.02850	1.0
117.06979	0.8
120.08051	0.4
127.03887	1.5
128.06235	0.5
129.06914	0.4
129.10204	0.9
131.04895	0.8
131.08450	0.6
132.10175	3.6
141.06580	0.4
143.11752	0.8
145.04996	0.5
145.06465	1.8
147.08022	0.5
155.06042	0.4
159.08014	0.7
160.05173	0.8
161.05937	1.3
163.07533	1.5
171.11232	0.4
172.05188	1.4
173.02246	0.6
173.05907	1.5
175.07539	2.7
183.09056	0.4
185.05981	3.6
187.07483	0.6
188.04654	17.1
189.05275	0.5
197.12827	1.2
203.06998	53.8
204.07314	1.3
205.08577	3.2
207.10970	0.4
215.13904	2.4
222.57130	0.3
231.06487	68.2
232.06802	1.5
243.13327	2.2
249.07550	100.0
250.07845	2.5
356.21814	1.1
357.41180	0.4
367.51477	0.4
374.14398	1.0
374.22800	1.6
411.07544	0.7
411.12814	11.0
519.16913	0.4
628.78168	0.4
784.31537	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.4799
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	0.7
55.05500	1.8
57.03428	1.9
57.07038	0.5
60.08152	0.7
61.02919	5.3
67.05503	4.5
69.03419	3.5
69.07058	1.5
71.04970	0.5
71.63828	0.6
73.02910	4.1
79.05489	4.6
81.03401	1.9
81.07048	4.9
83.08621	0.5
85.02895	5.9
86.09703	3.3
87.04466	0.7
87.10012	0.9
91.03951	3.4
91.05466	3.3
93.07039	6.0
95.04977	0.9
95.08595	3.4
97.02893	4.5
99.04422	1.1
101.02379	1.9
103.03928	0.8
105.07018	3.0
107.08599	1.9
109.02885	1.0
109.10160	1.4
111.08113	0.6
117.07009	0.6
119.08587	1.5
121.10146	2.3
124.99996	2.7
127.03909	1.6
131.08572	1.1
133.10150	1.4
135.11681	1.2
135.80904	0.5
135.81993	0.6
137.09647	0.6
145.10094	0.7
147.11775	1.1
150.46504	0.5
159.11682	0.6
173.13234	0.6
184.07323	11.6
185.04253	0.6
185.07719	1.9
186.07777	1.1
227.20105	0.6
243.08380	3.0
297.95294	0.5
313.27301	0.8
317.20789	0.6
491.26111	7.8
524.40222	0.6
535.28760	2.5
554.63403	0.5
642.35309	0.6
785.47955	100.0
786.47711	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	785.4795
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01846	0.4
55.05494	0.9
57.03420	1.9
58.36821	0.4
60.08167	1.0
61.02913	4.7
65.03941	0.5
67.05496	4.2
67.22224	0.4
69.03419	2.5
69.07062	1.2
69.10574	0.4
71.04973	0.4
71.63585	0.7
71.64015	0.6
73.02908	3.8
79.05476	3.3
81.03402	1.5
81.07040	3.9
83.08604	0.6
85.02893	4.5
86.09689	4.4
87.10046	0.8
87.76563	0.5
91.03937	3.4
91.05463	4.1
92.05853	0.5
93.07036	3.8
95.04962	0.8
95.08590	3.9
97.02876	3.7
98.98437	0.7
99.04454	1.5
101.02381	2.1
101.23507	0.4
105.07008	3.2
107.08588	2.0
109.02909	0.6
109.10160	0.7
117.07023	1.1
119.08597	1.7
121.10138	1.7
124.99981	2.7
127.03906	1.1
129.05458	0.5
129.07004	0.9
131.08549	0.8
133.10101	2.3
135.11690	0.9
143.08554	0.6
145.10103	0.9
147.11679	1.6
149.09590	0.6
157.10117	0.6
158.34880	0.4
159.11714	0.6
171.11653	0.4
184.07320	13.3
184.08949	0.7
185.04277	1.2
185.07677	2.3
186.07822	1.4
202.85512	0.5
203.05305	0.6
243.08357	3.2
301.08969	0.7
315.10522	0.7
335.26038	0.6
344.23047	0.4
345.20255	0.4
437.18137	0.8
507.25674	7.4
508.26004	0.5
519.29163	6.3
524.40131	0.7
527.86987	0.5
575.51978	0.5
591.31097	2.2
605.33185	0.5
699.85583	0.5
785.47937	100.0
786.48267	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	778.5081
Annotation	Unknow
Peak:m/z	Relative Intensity
54.56542	0.6
55.01139	0.5
55.01878	2.5
55.05502	10.1
57.03426	9.3
61.02892	0.6
65.03890	1.5
67.05493	31.0
68.05815	0.5
69.03413	5.0
69.07054	10.8
69.42577	2.4
69.43003	1.9
70.49648	0.5
71.04951	1.9
73.96198	0.5
74.09686	1.0
77.03897	0.6
79.05479	31.3
79.09386	0.5
81.03357	0.9
81.07041	32.1
82.61063	0.4
83.04940	2.3
83.08601	5.7
85.02870	0.7
85.06478	2.3
86.09657	1.0
91.04897	0.9
91.05464	25.4
93.07027	34.4
94.07336	0.6
95.01264	0.8
95.04970	4.5
95.08595	21.0
97.06509	5.3
97.10132	1.2
99.04403	1.0
99.08040	1.7
105.04491	0.7
105.07014	25.0
107.04924	4.1
107.08574	12.7
109.06498	4.4
109.10135	7.8
111.08018	1.5
117.06999	7.8
119.08556	17.0
121.06461	1.6
121.09303	1.0
121.10121	14.5
123.08009	1.5
123.11655	2.2
125.09561	1.5
129.06953	1.6
131.08546	13.4
133.10110	13.6
135.08092	2.6
135.11676	6.7
137.09547	2.0
143.08517	1.9
145.10085	9.1
147.11659	6.1
148.23077	0.5
149.09563	2.1
149.13190	2.0
153.12686	0.9
155.08502	0.6
157.10158	1.5
159.11650	5.0
161.13248	1.6
163.11116	1.5
171.11708	1.3
173.13266	2.9
177.12662	1.0
179.14258	2.5
183.11649	1.2
184.07298	2.6
185.13223	2.0
193.06802	0.4
201.16350	1.8
203.14326	1.4
215.17909	1.4
219.17400	50.7
220.17674	1.7
233.18892	1.0
238.16318	0.5
247.16644	0.8
247.20538	0.8
257.18927	1.5
257.51440	0.6
275.20023	16.9
293.21167	1.4
307.22623	84.4
308.22952	2.2
321.20612	2.1
335.25757	1.8
349.23657	15.4
355.38580	0.5
498.77908	0.6
515.36505	0.6
559.93604	0.6
581.41901	100.0
582.42389	6.3
601.76630	0.6
697.38440	0.6
701.69702	0.5
732.07336	0.6
735.03772	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	782.4672
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	7.4
57.03428	3.0
57.07069	4.0
60.21431	0.3
61.02907	1.0
63.82742	0.3
65.03917	0.6
67.05495	8.0
67.13431	0.3
69.03421	2.9
69.07059	12.6
69.51830	0.8
69.52232	2.3
70.06593	0.6
71.01350	0.6
71.08619	1.0
72.08160	0.3
72.97042	0.3
73.02902	6.5
79.05479	5.1
81.07045	23.7
83.08606	6.9
85.02886	3.0
85.10149	0.5
86.09698	1.2
91.05463	4.5
92.49150	0.3
93.07032	16.0
95.01328	1.5
95.04955	1.0
95.08593	47.0
96.08916	0.6
97.02883	6.9
97.10157	5.4
98.45346	0.3
101.52932	0.3
105.07019	10.0
105.07743	0.5
107.08579	27.3
109.06464	0.5
109.10143	31.8
111.08057	0.4
111.11708	1.4
113.02367	0.4
115.03926	5.4
117.06968	0.8
119.08563	20.0
121.06504	0.4
121.10126	27.0
123.11692	16.0
125.05921	0.3
125.09613	0.4
125.13229	0.4
129.06931	0.3
131.08562	4.0
133.04951	2.4
133.09088	0.6
133.10114	16.0
135.11678	22.2
136.12010	0.4
137.06004	0.4
137.13245	12.2
139.07545	0.6
141.01811	7.0
143.08528	0.8
145.10100	8.3
147.11667	13.8
149.13237	23.7
150.07599	0.7
150.13583	0.4
151.07475	0.4
151.14851	1.0
153.09088	2.3
157.10135	0.8
159.02861	1.9
159.11661	4.8
160.12405	0.5
161.13235	9.1
162.13603	0.3
163.14801	7.6
164.25555	0.3
165.09134	0.7
165.12901	0.3
165.14549	0.3
167.10626	0.9
171.11641	1.0
173.13228	5.6
175.14812	7.7
177.03951	1.3
177.09091	0.3
177.16350	6.8
178.27939	0.3
179.10744	1.6
179.17982	1.9
184.07359	0.8
185.13171	0.7
187.14815	3.9
189.16354	28.1
190.16698	0.7
191.10640	0.6
191.17920	44.8
192.18259	1.0
193.12268	0.6
193.19540	0.9
199.14804	1.2
201.16351	37.7
202.16669	0.8
203.17926	33.5
204.18298	0.9
205.19484	34.2
206.19864	0.8
207.13820	0.8
207.17444	1.5
213.16354	2.2
215.17928	14.9
216.18143	0.3
217.07120	0.5
217.16029	0.7
217.19498	8.6
219.13751	0.5
219.17387	0.9
219.21017	0.7
221.15302	1.6
221.19012	0.6
227.17781	1.6
229.15915	0.5
229.19496	2.1
231.17366	0.6
231.21046	2.5
233.15300	0.4
235.16867	5.2
241.19441	1.8
243.21017	5.0
244.21158	0.3
245.15384	0.4
245.22662	3.6
246.48483	0.3
247.16895	24.1
248.17198	0.4
249.18465	4.5
255.05043	0.9
255.21095	2.6
257.22620	2.1
259.16882	0.6
261.18463	8.9
269.22552	1.7
273.06030	1.7
273.18579	0.4
275.20071	0.9
283.24219	0.6
287.20035	1.4
289.21527	3.1
291.07004	0.8
295.24234	0.4
297.25839	0.5
301.21570	0.9
309.08179	1.4
315.23230	1.5
326.10922	0.8
329.24817	0.5
344.82510	0.4
347.95413	0.4
351.30453	0.4
355.26190	0.7
393.35126	12.2
394.35565	0.7
421.34589	0.9
439.35654	100.0
440.35922	4.1
526.09412	0.4
690.66864	0.4
718.05634	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	778.5081
Annotation	Unknow
Peak:m/z	Relative Intensity
54.56542	0.6
55.01139	0.5
55.01878	2.5
55.05502	10.1
57.03426	9.3
61.02892	0.6
65.03890	1.5
67.05493	31.0
68.05815	0.5
69.03413	5.0
69.07054	10.8
69.42577	2.4
69.43003	1.9
70.49648	0.5
71.04951	1.9
73.96198	0.5
74.09686	1.0
77.03897	0.6
79.05479	31.3
79.09386	0.5
81.03357	0.9
81.07041	32.1
82.61063	0.4
83.04940	2.3
83.08601	5.7
85.02870	0.7
85.06478	2.3
86.09657	1.0
91.04897	0.9
91.05464	25.4
93.07027	34.4
94.07336	0.6
95.01264	0.8
95.04970	4.5
95.08595	21.0
97.06509	5.3
97.10132	1.2
99.04403	1.0
99.08040	1.7
105.04491	0.7
105.07014	25.0
107.04924	4.1
107.08574	12.7
109.06498	4.4
109.10135	7.8
111.08018	1.5
117.06999	7.8
119.08556	17.0
121.06461	1.6
121.09303	1.0
121.10121	14.5
123.08009	1.5
123.11655	2.2
125.09561	1.5
129.06953	1.6
131.08546	13.4
133.10110	13.6
135.08092	2.6
135.11676	6.7
137.09547	2.0
143.08517	1.9
145.10085	9.1
147.11659	6.1
148.23077	0.5
149.09563	2.1
149.13190	2.0
153.12686	0.9
155.08502	0.6
157.10158	1.5
159.11650	5.0
161.13248	1.6
163.11116	1.5
171.11708	1.3
173.13266	2.9
177.12662	1.0
179.14258	2.5
183.11649	1.2
184.07298	2.6
185.13223	2.0
193.06802	0.4
201.16350	1.8
203.14326	1.4
215.17909	1.4
219.17400	50.7
220.17674	1.7
233.18892	1.0
238.16318	0.5
247.16644	0.8
247.20538	0.8
257.18927	1.5
257.51440	0.6
275.20023	16.9
293.21167	1.4
307.22623	84.4
308.22952	2.2
321.20612	2.1
335.25757	1.8
349.23657	15.4
355.38580	0.5
498.77908	0.6
515.36505	0.6
559.93604	0.6
581.41901	100.0
582.42389	6.3
601.76630	0.6
697.38440	0.6
701.69702	0.5
732.07336	0.6
735.03772	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.592
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	2.8
57.07063	34.3
59.05016	0.5
67.05499	0.8
69.07049	4.6
69.25620	5.2
71.08617	30.6
73.02897	1.0
73.06539	11.5
79.05496	1.1
81.07029	1.9
83.08601	5.7
85.10163	17.7
86.09686	0.7
86.79509	0.5
87.04450	10.6
89.06011	100.0
90.06355	1.1
91.05451	0.5
91.07576	0.8
93.07027	0.7
95.08572	0.8
97.10148	6.7
99.11742	2.6
107.07031	4.2
107.08558	0.6
111.11023	0.7
111.11690	3.4
115.07462	0.5
117.09098	10.9
124.99960	0.7
125.13257	1.6
127.14817	1.8
130.08614	4.7
131.07007	3.4
133.08572	54.6
134.08861	0.8
135.10132	0.9
139.14830	1.0
141.16382	1.5
151.09702	0.5
155.17915	1.0
157.08707	0.5
161.11694	3.1
175.09645	2.9
177.11186	24.7
178.11285	0.5
184.07292	3.8
211.24191	2.5
219.12286	1.7
221.13795	4.3
223.15366	0.7
223.18808	0.6
237.13451	0.5
239.14897	2.0
255.26787	2.4
265.16425	1.6
276.70483	0.5
283.17410	2.8
299.29333	8.0
299.32544	0.6
309.19061	1.2
311.20724	0.6
327.20105	1.3
343.32080	5.7
353.21829	1.0
371.22919	0.9
397.24103	0.5
547.33087	2.0
588.11987	0.5
757.56866	4.4
774.59045	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	778.3628
Annotation	Unknow
Peak:m/z	Relative Intensity
54.44790	0.2
55.01869	0.3
55.05489	0.9
56.05017	0.7
57.03416	0.5
61.00298	0.2
65.03938	0.2
69.03422	1.1
70.06579	5.7
71.04974	0.3
71.06880	0.2
71.62862	0.3
72.08116	0.5
73.02905	0.4
77.03932	0.2
79.05467	0.4
81.03396	0.4
82.06564	7.1
84.08127	100.0
85.02897	2.0
85.06557	0.2
85.08472	0.7
86.09644	0.3
87.04420	0.3
95.04951	0.7
97.02869	0.8
97.06519	1.1
98.09678	0.6
99.04472	0.2
100.07590	0.4
107.04935	56.6
108.05250	1.1
109.02867	0.3
115.07552	1.2
116.07072	0.3
121.06469	0.3
123.04328	0.3
126.09130	38.0
127.03894	0.4
127.09473	0.5
129.10179	0.3
131.04890	0.4
136.07538	0.2
137.02344	0.3
147.08044	0.2
149.05995	0.4
161.05919	0.2
246.14891	1.2
252.12135	0.2
263.47079	0.3
281.91922	0.2
286.90845	0.2
290.17480	1.7
405.12408	0.2
408.20099	6.4
409.20721	0.2
434.21747	1.0
452.22733	35.4
453.23099	1.5
594.11517	0.2
603.07404	1.7
616.30939	0.3
638.07745	0.2
760.35211	0.4
778.36267	44.3
779.36481	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	778.3633
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03427	1.9
68.05002	0.7
69.03414	2.3
70.06580	100.0
71.06918	0.6
71.62439	0.3
71.62847	0.4
72.08140	0.7
79.05497	0.5
81.03416	1.1
82.06564	2.9
84.08131	31.1
85.02897	4.2
86.06052	0.7
86.09708	0.6
87.04446	0.5
95.04926	0.4
96.08102	2.1
97.02855	1.8
98.06042	0.6
99.04415	0.5
100.07605	12.5
107.04936	35.0
108.05301	0.9
109.02869	0.4
115.05450	0.4
121.06474	0.7
122.09653	0.6
123.04438	0.6
126.09134	33.6
127.03895	1.3
134.09657	0.6
145.04967	0.5
145.06438	0.5
148.11241	0.6
149.05951	0.7
152.10774	0.5
165.46007	0.3
166.12288	1.2
179.03416	0.8
184.65544	0.4
195.16756	0.3
234.14972	1.1
241.12283	0.5
242.15504	0.6
244.16954	2.8
246.14713	0.5
249.07567	0.4
254.15260	0.6
272.16437	7.7
290.17429	5.4
298.47440	0.4
311.76709	0.4
331.85745	0.4
396.20212	0.9
406.22137	3.5
408.20374	1.5
418.24036	0.6
434.21707	9.3
434.27356	0.6
452.22723	29.1
453.23312	1.4
454.26001	0.6
580.28821	0.5
590.98431	0.4
598.29938	1.2
616.30811	2.8
742.34644	0.7
760.35236	2.7
778.36279	77.6
779.36591	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	778.5077
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	2.0
55.05504	13.0
57.03433	6.7
57.07066	3.2
57.07705	0.7
60.08150	4.8
65.03925	1.8
67.05495	44.1
67.19170	0.8
69.03435	1.3
69.07056	13.5
71.04984	3.0
71.07355	3.6
71.08637	1.9
71.63693	1.2
75.48522	0.7
79.05485	57.4
81.03418	2.1
81.07047	43.7
83.04988	5.3
83.08604	7.6
86.09697	29.9
86.10226	1.3
89.06004	1.1
91.05468	39.4
92.83321	0.8
93.07034	58.9
94.07401	1.1
95.04960	5.6
95.08591	33.4
97.06540	4.7
97.10130	1.6
98.98454	2.1
104.10728	1.1
105.07015	26.1
107.04952	10.0
107.07845	1.8
107.08577	37.5
109.06470	3.8
109.10145	16.7
109.10904	1.0
111.08064	1.9
115.05446	1.2
115.07559	0.9
116.06199	0.9
117.07008	14.9
119.03420	1.8
119.08562	28.3
119.85153	0.7
121.06493	1.2
121.10123	26.2
123.08093	1.9
123.11694	3.9
124.99986	16.5
125.06023	2.3
125.09604	1.2
127.07618	0.8
128.06212	1.6
129.06992	4.2
130.07805	1.1
131.08548	39.0
133.10110	28.1
135.08015	2.3
135.11673	21.2
137.09601	2.5
137.13223	3.5
141.07011	1.9
141.09082	5.1
143.07040	1.8
143.08566	3.2
144.09268	0.8
145.06517	1.7
145.10103	26.3
146.98154	10.9
147.08109	0.9
147.11676	6.0
149.09601	45.7
149.13231	2.3
155.08539	2.3
157.10118	4.1
159.07976	1.3
159.11673	19.3
161.13245	4.6
163.11165	2.5
165.09084	1.0
169.10104	3.6
171.11691	1.5
173.13243	15.1
175.11232	0.8
175.14818	3.0
177.09023	1.6
181.12245	3.2
183.11684	2.1
184.07318	86.4
185.07484	0.9
185.13202	5.7
187.11177	3.5
187.14903	1.3
191.10675	1.3
199.09714	1.4
199.14819	1.9
201.16362	47.6
203.17928	15.2
205.12206	1.4
211.14819	4.6
229.15863	20.4
231.17546	1.1
247.16887	12.5
261.22049	1.4
275.19913	1.2
307.22623	8.7
321.20584	15.2
335.25748	42.4
336.26047	1.4
349.23737	1.8
379.24887	2.1
448.86066	0.9
483.34705	4.1
563.40942	2.0
581.41949	100.0
582.42175	4.8
595.47162	9.0
599.43549	1.3
666.87793	0.9
684.96002	0.8
719.46045	9.5
778.53564	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	773.5187
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95862	2.0
55.01859	4.7
55.05502	34.6
57.03424	16.6
57.07070	5.5
58.03893	1.9
61.02919	13.3
63.23788	2.0
65.03945	3.2
67.05497	85.4
69.03426	9.6
69.07059	30.4
71.04968	3.8
71.08620	3.6
71.63678	2.7
72.25914	2.3
73.02909	5.6
79.05486	68.3
81.03412	9.4
81.07047	100.0
82.07377	3.4
83.04971	3.9
83.08611	15.4
85.02888	12.3
85.06543	3.3
90.48034	2.3
91.03937	7.1
91.05470	66.8
93.07033	87.9
94.07379	2.1
95.04961	16.4
95.08597	73.6
97.02866	13.6
97.06500	8.3
97.10139	6.3
99.08099	4.9
105.07021	64.3
107.08582	51.4
109.06505	5.5
109.10152	25.5
111.08079	3.8
115.05399	2.6
117.07007	24.1
119.08558	56.9
120.08926	2.9
121.10128	41.4
123.08069	4.7
123.11700	8.0
125.09594	3.9
128.06256	4.7
129.07007	15.4
131.08560	38.9
133.06482	3.3
133.10109	43.4
135.08063	3.1
135.11676	26.6
137.09598	2.7
141.06958	4.5
143.08554	16.7
144.09341	2.5
145.10103	35.9
147.07980	3.4
147.11653	39.4
149.09589	2.8
149.13232	13.7
155.08530	7.6
157.10120	21.3
159.11633	26.0
161.09564	3.4
161.13232	30.6
163.14841	8.1
167.08528	3.3
169.10175	7.1
171.11678	15.8
173.13229	20.8
175.14809	16.6
177.16234	2.6
181.10094	5.4
181.59518	2.1
183.11710	6.0
184.07327	7.2
185.13240	12.0
187.14743	10.9
195.11583	3.9
197.13200	6.2
199.11130	3.1
199.14856	7.8
201.16429	3.5
211.14824	3.7
213.16315	3.4
214.19469	2.2
229.19620	2.7
231.21069	6.2
239.17937	3.3
241.19493	26.8
243.21173	4.5
257.19052	5.2
259.20566	55.2
261.22064	10.8
271.20358	2.3
275.20029	3.0
289.21725	3.1
297.22073	3.2
301.21707	5.1
313.21588	3.8
315.23141	3.4
331.22897	3.1
333.24231	38.6
334.24686	4.2
335.25757	81.2
336.25842	2.5
337.27414	4.4
339.23120	2.9
367.22455	4.3
385.23804	3.7
403.24762	3.9
459.27136	2.5
519.41943	6.5
593.45483	9.7
609.44733	3.0
611.46631	96.6
612.46826	8.1
623.46387	3.7
701.47382	5.3
719.48779	4.5
737.50104	3.2
755.50189	5.0
773.52625	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	774.4983
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	3.5
55.05252	1.2
55.05502	15.8
56.22159	0.8
57.03427	19.6
57.07060	2.6
57.59628	0.8
60.08150	1.0
60.48652	0.7
61.02912	1.0
65.03934	2.5
67.05494	57.3
69.03416	3.0
69.07054	14.1
70.34125	4.3
71.01360	1.1
71.04987	4.0
75.78922	0.8
79.05481	40.8
81.03406	84.0
81.07044	59.5
83.04978	6.3
83.08607	22.0
85.02885	2.1
85.06518	2.5
86.09692	5.9
91.05465	32.1
93.07030	45.2
95.04955	33.2
95.08590	41.8
97.02879	2.8
97.06535	4.4
97.10160	7.7
98.20802	1.1
99.08073	1.9
103.05443	1.0
105.04530	1.6
105.07011	29.3
107.04931	6.8
107.08575	24.6
109.02864	1.2
109.06505	4.4
109.10139	20.6
111.04391	2.2
111.08077	6.5
117.07008	7.5
119.08567	24.9
121.06474	3.6
121.10123	23.2
123.04414	1.6
123.08054	4.5
123.11686	6.1
124.99958	3.3
125.09576	4.4
129.06992	9.9
131.08554	21.5
133.06482	2.8
133.10106	15.7
135.08058	2.0
135.11678	14.4
137.09605	3.6
137.13220	2.1
142.07735	1.9
143.08554	2.5
145.10103	11.5
147.04390	1.0
147.08041	3.4
147.11668	14.4
149.09615	5.0
149.10698	0.9
149.13248	7.6
151.11095	2.2
151.14774	1.0
157.10089	12.3
159.11667	6.2
161.13213	6.5
163.11169	2.8
163.14737	3.7
165.12738	2.1
167.97884	0.9
169.10126	2.0
171.11632	1.6
173.09758	0.9
173.11916	1.0
173.13205	5.5
173.35020	0.8
175.11150	9.8
175.14790	1.8
177.16374	1.3
183.11630	1.1
184.07315	20.2
185.07642	2.1
185.13116	1.4
187.11224	1.2
187.14807	3.0
189.11195	3.5
190.71901	0.9
193.12212	20.7
197.13248	1.3
201.16385	1.0
205.12309	1.0
211.13235	2.3
227.12758	7.0
233.15526	0.9
233.22559	1.0
235.13240	2.1
243.21007	5.7
249.14725	1.2
261.22089	19.6
267.15872	100.0
268.16263	1.5
273.14822	1.3
279.23184	2.8
285.22073	1.3
299.23743	1.4
301.14511	1.9
301.25250	6.7
309.16901	3.0
317.24689	4.0
335.25763	82.2
336.26077	2.6
363.25659	0.8
367.25650	0.9
417.31494	1.1
421.25824	2.2
435.27200	2.4
435.32556	4.6
437.70767	1.0
449.29349	1.0
453.33566	6.7
471.34793	4.5
475.30579	1.2
509.35773	2.5
527.37274	65.1
528.37469	2.3
545.38293	57.1
546.38690	2.2
551.37360	1.0
559.39600	2.5
569.38165	4.8
577.40460	1.3
623.38892	1.7
635.38855	1.6
653.40643	1.1
756.55054	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.5025
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	2.2
55.05505	11.8
57.03432	4.9
57.07053	2.0
59.04979	1.2
61.02914	13.6
65.03926	1.6
67.05159	1.7
67.05494	20.3
69.03419	6.7
69.07054	9.5
71.05003	1.5
71.63566	0.9
73.02894	6.2
79.05475	13.1
81.03402	4.0
81.07047	18.7
83.04981	2.1
83.08604	5.6
85.02887	12.0
85.06507	1.7
86.09708	1.4
91.03941	8.2
91.05474	11.8
91.34702	1.1
93.07027	14.6
95.04972	2.1
95.07977	1.0
95.08591	18.3
95.09162	1.8
97.02873	10.2
97.06510	2.0
97.10179	2.9
101.02398	1.7
105.07014	12.3
107.08571	9.9
109.02876	1.0
109.10133	8.2
111.08044	1.1
114.02895	1.0
117.06985	6.5
119.08553	10.3
121.10108	8.2
123.08071	1.1
123.11688	2.9
125.09573	1.5
127.03886	2.5
128.06180	2.4
129.06982	6.9
131.08568	11.2
133.10110	6.6
135.11668	3.7
137.09578	1.1
141.06946	4.6
142.07793	2.0
143.08549	9.9
144.93903	1.0
145.10114	10.9
147.11674	5.1
149.13243	1.6
151.11166	1.1
155.08539	10.2
156.09261	1.1
157.10110	11.9
159.11649	8.8
161.13255	3.8
167.08591	4.9
168.09334	1.7
169.10133	10.6
169.92154	0.9
171.11673	9.6
173.13248	5.0
175.14790	2.1
177.16293	1.1
179.08510	1.3
181.10114	4.8
183.11650	10.1
184.07298	2.4
185.13249	8.8
187.14771	3.2
189.16376	1.2
193.10091	2.0
194.10890	1.0
195.11642	6.1
197.13216	8.8
199.14827	4.6
201.16359	1.3
203.17900	1.1
207.11688	3.5
209.13283	6.3
211.14799	6.1
213.16313	3.3
219.11629	1.2
221.13293	2.0
223.14867	4.8
225.16377	3.5
227.18127	2.0
235.14909	2.2
237.16336	2.8
239.17923	2.0
244.26955	0.9
249.16335	1.9
251.17851	1.8
265.19177	1.0
311.20236	1.1
363.26422	1.6
365.28146	1.5
449.34146	1.0
501.35574	1.3
515.36499	1.0
517.40369	4.5
535.41064	2.6
539.36957	2.7
545.37854	1.8
591.44128	7.0
607.43024	2.6
609.45038	100.0
610.45361	5.9
621.45258	1.4
625.43011	1.0
717.46765	1.0
720.08551	1.1
753.49078	2.2
771.38055	1.2
771.50568	21.5
772.49951	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	768.5604
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01838	1.1
55.05503	35.5
57.03176	1.5
57.03430	19.8
57.07065	14.2
60.08158	1.1
61.02909	6.2
62.15647	1.0
65.03933	2.4
67.05493	83.1
68.05827	1.1
69.03411	2.4
69.07057	43.0
71.04974	3.5
71.08635	5.1
71.30102	2.0
73.02915	1.4
77.03883	1.2
79.05478	42.3
81.03389	1.1
81.07042	100.0
82.07340	1.3
83.04954	3.1
83.08607	41.9
85.02885	4.4
85.06519	3.1
85.10183	1.6
86.09682	3.7
88.16157	0.9
89.67934	0.8
91.03929	1.7
91.05463	23.1
91.06001	1.8
93.07029	53.5
95.04938	3.8
95.08590	69.7
97.02871	3.2
97.06520	8.4
97.10149	12.1
99.08067	4.9
105.07017	16.1
107.08579	29.7
109.06483	2.0
109.09440	1.9
109.10138	27.2
111.08055	5.4
111.11692	3.6
112.74242	1.0
117.06991	4.0
119.08563	14.9
121.10130	34.2
121.11017	1.8
122.10410	1.7
123.08035	1.4
123.11696	14.4
124.99982	3.7
125.09588	2.7
127.03876	0.9
131.08540	8.4
133.10112	16.1
135.11668	24.7
136.11971	1.2
137.09595	1.8
137.13274	6.5
139.11160	2.8
145.10132	6.4
147.11655	7.0
149.13234	13.9
151.14769	1.5
153.12692	1.6
159.11665	4.2
161.13231	4.3
163.14809	7.3
173.13254	4.8
175.14825	1.6
177.16360	2.6
184.07312	14.9
187.14845	2.2
189.16318	1.6
195.00278	2.9
201.16455	1.1
215.17920	1.8
217.19513	3.2
219.21089	4.0
233.18939	2.4
235.20509	3.4
237.22098	4.3
243.20992	6.0
245.22701	1.4
261.22104	22.0
262.22565	1.4
263.23672	1.4
309.24197	24.7
311.25754	99.9
312.26102	3.8
317.24774	4.6
335.25742	85.0
336.26022	3.8
337.27301	22.7
497.43381	2.8
571.47174	50.2
572.47485	2.8
589.39563	1.6
589.48212	20.8
590.48438	2.1
749.04968	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.3576
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81017	0.2
61.21785	0.2
62.85852	0.2
64.16400	0.2
67.05501	0.3
70.75797	0.6
83.22285	0.2
85.06034	0.2
95.05039	0.2
103.05454	4.9
122.07424	0.2
131.04903	8.0
137.05980	0.6
137.70932	0.2
148.57727	0.2
163.07544	0.5
167.53320	0.2
184.07356	0.3
197.10886	0.3
204.06535	0.3
209.10725	0.2
223.12352	0.5
224.13261	0.3
233.10899	0.3
234.11427	0.2
235.12338	0.3
237.10254	0.2
237.13721	0.3
239.15385	0.3
249.13989	0.4
263.15573	0.2
299.14789	0.2
310.61780	0.2
354.16119	0.2
378.15948	0.3
387.16113	0.3
401.17502	0.6
403.19009	0.3
414.18658	0.3
415.19275	0.8
416.20285	0.3
417.20978	1.1
418.21619	0.5
419.22351	0.3
427.19174	0.6
428.20224	0.4
429.16422	0.5
429.21872	1.0
430.17307	0.5
430.22186	0.4
431.18146	0.8
431.23361	1.2
433.24109	1.7
441.16968	0.7
441.21790	0.3
442.17365	0.6
442.22678	0.3
443.17728	1.7
443.23309	0.5
444.19406	1.0
445.20184	1.6
445.24915	0.7
446.20645	1.1
447.21539	0.5
455.18796	0.8
456.19455	0.7
457.19272	2.7
458.20612	1.2
459.21576	6.8
460.22443	2.8
461.23453	2.5
469.19620	1.0
470.20587	1.3
471.21457	2.9
472.22357	2.3
473.23294	5.0
474.24359	1.5
483.22015	0.7
484.22955	1.1
485.23517	2.7
486.24265	1.1
487.24820	0.8
489.23169	0.4
499.24902	0.8
501.23099	0.3
511.24124	0.3
513.22809	0.7
517.22699	0.9
519.23224	1.1
529.22949	0.4
530.23145	0.3
531.23383	1.5
532.24402	1.4
533.25470	0.5
535.21454	0.5
543.24371	0.4
544.24609	0.5
545.25287	0.9
547.26959	9.8
548.27307	0.7
557.25610	1.0
558.25531	0.3
559.26947	6.8
560.27411	1.1
563.21149	0.7
564.22485	0.3
565.25403	0.5
571.27374	0.6
572.27740	0.3
573.28821	0.4
575.26257	0.4
576.21466	0.3
577.22784	0.9
578.23077	0.5
579.24139	0.4
587.26361	0.8
589.24176	0.3
591.25000	0.8
592.24438	0.4
593.25372	2.0
604.27222	0.3
605.26141	0.3
606.27942	0.6
607.28180	4.4
608.28137	1.4
609.28424	0.7
617.27399	0.5
619.29028	3.9
620.29089	0.6
621.28625	0.9
622.29248	0.7
623.29962	0.8
631.29175	1.0
635.30658	0.4
649.32794	0.3
667.29041	1.8
679.28955	0.5
681.31256	0.5
694.31244	0.5
695.32471	2.2
709.33807	7.2
710.33990	0.9
739.31494	0.6
754.33258	0.3
755.34723	0.2
769.35760	100.0
770.36060	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	767.3956
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83445	0.5
67.05518	0.5
69.07058	0.5
69.53324	4.1
73.05087	0.4
79.05502	0.5
81.07056	0.6
93.07037	0.7
95.08577	0.5
98.90555	0.4
125.28268	0.4
133.10083	0.4
145.48343	0.4
165.06047	0.5
253.16273	0.5
326.19614	0.5
507.23206	0.7
516.37891	0.4
605.42004	1.3
767.39630	100.0
768.40063	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	768.5606
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	2.1
55.05502	29.2
57.03176	1.3
57.03431	15.4
57.07064	11.9
60.08139	1.0
61.02919	5.2
65.03922	3.4
67.05493	85.0
68.05812	1.2
69.07058	43.3
71.04971	2.4
71.08633	5.0
71.23696	0.9
71.24027	1.3
71.95805	0.9
73.02940	1.4
79.05479	29.0
81.03387	1.5
81.07042	100.0
82.07363	1.0
83.04968	2.7
83.08607	25.2
85.02890	2.8
85.06528	4.7
85.10155	4.0
86.09695	4.3
91.00574	0.8
91.03939	1.4
91.05463	21.9
91.07059	0.9
93.07028	35.3
95.04939	3.6
95.08591	75.0
97.02876	1.9
97.06516	6.1
97.10160	11.4
99.08090	6.7
102.33017	0.8
105.07019	15.9
107.08578	21.5
109.06480	2.2
109.10136	28.4
111.08064	5.0
111.11699	2.7
112.17836	0.9
113.09634	1.9
115.96112	0.8
117.07017	3.0
119.08562	15.9
121.10122	19.9
123.08063	1.8
123.11689	13.6
124.99979	2.3
125.09610	2.7
125.13250	1.1
127.11153	1.0
131.08540	5.2
133.10110	17.2
135.11676	15.4
137.09540	2.1
137.13217	5.6
139.11150	2.2
145.10092	4.4
147.11682	10.5
149.09561	1.0
149.13245	8.8
151.11084	0.8
151.14824	4.1
153.12698	2.1
159.11668	3.3
161.13232	6.7
163.11125	1.1
163.14787	2.9
165.16435	1.2
173.13234	1.7
175.14803	4.7
177.16315	2.4
179.17950	1.3
184.07295	13.9
187.14760	2.2
189.16310	1.4
191.18025	1.4
193.15851	1.0
195.00298	3.1
203.18086	1.0
205.19629	1.3
215.16122	0.9
215.17834	5.1
216.46088	1.1
217.19505	10.1
219.21181	1.4
221.22665	0.8
233.19005	7.4
235.20522	10.1
243.21004	2.4
245.22667	3.7
247.20386	1.1
261.22046	4.2
263.23706	5.4
290.65570	0.8
307.22592	2.9
309.24182	90.2
310.24573	2.3
311.25717	14.0
311.29028	0.9
317.24890	1.5
335.25726	10.7
337.27310	92.2
338.27710	2.8
339.28851	6.0
477.39920	1.1
491.41052	1.5
497.43604	5.4
515.44312	2.6
571.47119	58.1
572.47113	3.8
589.48151	43.0
590.48120	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	766.5446
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01849	2.8
55.05502	26.9
57.03429	16.3
57.07065	7.9
61.02916	5.2
61.93917	0.7
62.94121	0.7
65.03922	3.5
67.05494	93.0
69.03375	1.5
69.07058	31.8
71.04969	3.4
71.08610	3.0
73.02907	1.6
79.05482	50.4
81.03407	1.3
81.07043	100.0
83.04961	2.4
83.08605	17.4
85.02897	5.0
85.06535	4.0
85.10143	1.0
85.13216	0.8
90.76597	0.8
91.03922	1.8
91.05465	31.5
93.07031	56.2
95.04959	4.0
95.08590	69.5
96.29382	0.8
97.02859	2.3
97.06531	5.0
97.10136	7.1
98.20670	1.5
99.08068	5.0
100.78060	0.7
105.04485	1.5
105.07014	22.5
107.08576	27.7
109.06485	3.1
109.10139	28.7
111.08057	3.5
111.11697	1.8
113.09631	2.0
117.07000	6.5
119.08559	20.0
121.10123	27.5
123.08025	2.4
123.11685	13.2
125.09608	2.9
127.11162	1.0
129.06973	1.6
131.08563	12.9
133.10112	22.0
135.07997	1.2
135.11673	24.5
137.09592	2.2
137.13251	5.4
139.11197	1.1
143.08496	2.2
145.10110	9.3
147.11668	13.2
149.09615	1.5
149.13232	11.9
151.11111	2.2
151.14781	3.0
153.12662	1.8
154.63261	0.8
157.10092	2.3
159.11670	7.6
161.13237	9.2
163.11211	1.3
163.14828	5.1
165.12619	0.9
165.16437	0.9
167.14294	1.0
171.11665	2.9
173.13272	6.0
175.14886	4.2
175.16052	0.8
176.47397	0.7
177.16368	2.5
184.07259	1.6
185.13268	1.7
187.14783	3.5
189.12794	0.9
189.16373	1.8
191.17961	0.9
199.14783	1.0
201.16418	1.3
203.17949	1.3
205.15656	1.2
205.19519	2.1
213.16389	1.5
215.17926	10.7
217.19463	6.7
227.17929	0.9
229.74577	0.9
231.17430	2.5
233.18944	11.8
235.20512	7.2
241.19484	1.5
243.21054	5.1
245.22610	1.5
259.20551	3.0
261.22095	11.7
263.23721	2.3
274.78043	1.1
277.21622	1.0
289.21512	1.4
301.25183	0.9
305.21127	0.9
307.22623	30.1
308.22983	1.1
309.24185	68.4
311.25879	3.9
317.24701	3.4
333.24106	3.2
335.25735	63.3
336.26468	1.1
337.27304	32.2
339.28909	2.0
477.40549	1.1
495.41916	3.9
513.43030	1.9
560.82654	0.9
569.45593	32.0
587.46619	28.7
603.07318	0.9
645.86810	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	764.5289
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	3.5
55.05502	25.2
57.03421	6.7
57.07062	6.3
65.03934	3.7
67.05494	86.8
69.03414	11.2
69.07059	17.2
71.01365	2.0
71.04975	5.1
71.08586	1.7
71.30539	3.6
71.30883	2.3
73.02904	1.6
74.36444	1.5
79.05479	78.7
81.03413	11.3
81.07043	89.7
83.04966	6.8
83.08618	12.8
85.02895	12.9
85.06525	5.0
91.05467	50.5
93.07025	100.0
95.04963	10.4
95.08593	74.6
96.08916	1.9
97.02895	10.6
97.06509	10.9
97.10155	6.4
99.04450	3.7
99.08071	7.1
103.03961	1.7
105.06303	1.7
105.07008	43.6
107.04918	3.9
107.08578	52.1
109.02848	3.2
109.06508	5.6
109.09439	2.7
109.10140	34.6
111.04405	4.6
111.08063	4.5
113.09650	2.7
115.05391	2.6
117.06992	21.7
119.08566	40.1
121.06522	3.9
121.10120	60.0
123.08056	3.6
123.11681	22.4
125.09590	4.0
127.03898	3.3
128.06226	3.1
129.05460	1.9
129.06982	8.6
131.08546	39.7
133.06528	3.5
133.10104	38.8
133.11081	3.2
135.08034	3.1
135.11665	44.8
137.09567	5.8
137.13199	7.6
139.11137	3.7
141.06970	3.4
143.08534	8.9
145.04948	2.4
145.10091	31.1
147.07985	2.9
147.11658	24.8
149.09598	6.8
149.13229	28.5
151.11163	5.2
151.14812	2.1
155.08528	6.4
157.10091	9.0
159.08112	1.8
159.11661	30.4
161.09540	3.7
161.13223	13.5
163.11169	6.0
163.14845	9.5
165.09071	3.0
165.12718	2.0
169.10110	5.0
171.08000	2.0
171.11615	9.9
173.13251	24.5
175.11206	4.1
175.14775	3.1
177.12788	4.6
177.16396	1.9
181.10089	2.6
183.11668	4.6
184.07310	1.9
185.13255	5.1
187.11194	3.5
187.14841	10.2
189.12694	3.1
189.16245	1.9
191.14374	2.7
193.12207	2.1
197.13277	3.6
199.11130	1.8
199.14883	2.9
201.16296	3.9
205.19505	4.5
213.16316	4.6
215.17914	39.2
219.17326	2.2
223.14952	2.1
225.16376	1.8
231.17462	4.9
233.18970	34.9
233.22603	3.1
239.14172	2.0
243.21011	19.4
244.21501	2.1
245.18790	2.2
259.20682	2.3
261.22104	63.9
263.26724	1.6
275.20102	4.6
279.23364	2.1
287.19812	2.1
289.21579	2.7
303.22910	1.8
307.22693	4.6
313.21454	1.9
315.23129	1.7
323.20126	2.4
325.23563	6.8
335.25708	8.2
341.20953	7.7
351.23166	2.9
353.26825	14.6
359.22238	10.3
369.24274	7.9
377.23206	7.8
387.25208	7.5
395.24243	7.1
405.26450	3.9
423.27029	2.8
575.50323	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	764.5292
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	4.8
55.05501	21.3
57.03431	8.6
57.07059	5.5
61.82087	1.9
65.03911	2.5
67.05494	95.6
69.03412	12.3
69.07053	18.8
71.04990	7.4
71.08618	2.8
72.42667	1.3
73.02888	2.1
79.05480	69.7
81.03403	13.3
81.07043	100.0
83.04948	5.6
83.08605	12.8
85.02888	11.8
85.06532	8.9
91.05470	49.2
91.67733	1.4
93.07030	98.1
95.04960	11.5
95.08593	79.9
97.02853	7.6
97.06503	6.6
97.10133	4.9
98.20714	3.9
99.04424	5.4
99.08060	8.3
103.03934	2.1
105.07016	43.4
107.04945	2.9
107.08578	52.7
109.02843	3.8
109.06493	7.0
109.10139	37.3
111.04431	3.6
111.07998	3.6
113.09609	5.2
115.05407	2.2
116.06197	1.5
117.06995	21.1
119.07777	2.8
119.08560	35.2
121.06500	3.3
121.10119	58.4
123.08042	3.2
123.11688	19.0
125.09594	4.1
127.03888	2.7
127.07549	1.5
128.06184	2.8
129.05470	3.2
129.06966	6.8
131.08548	37.5
131.76399	1.7
132.08911	1.7
133.06506	2.6
133.10109	33.8
135.08055	3.4
135.11673	54.0
137.09569	4.9
137.13223	5.8
139.11101	3.7
141.07014	1.5
143.08530	7.1
145.04939	3.7
145.10091	31.8
146.36409	1.6
147.08025	2.1
147.11664	26.8
149.09601	5.1
149.13245	33.9
151.07466	2.2
151.11140	4.8
155.08510	4.3
157.10083	5.5
159.07967	2.7
159.11670	32.6
161.09586	3.4
161.13213	12.2
163.11197	5.3
163.14772	4.8
167.07091	1.8
167.08568	2.3
169.10049	3.4
171.07982	2.1
171.11656	6.3
173.09669	1.9
173.13231	26.5
175.14798	5.2
177.12703	4.7
177.16380	2.7
183.08009	1.7
183.11688	1.8
185.09485	2.0
185.13219	5.1
187.11145	3.0
187.14740	10.3
189.12694	2.2
189.16338	2.2
191.14293	2.5
195.11711	3.1
197.13161	2.3
199.14789	2.0
201.73062	1.6
203.10793	1.7
203.14333	1.7
205.19440	9.8
209.13309	2.1
213.16278	1.7
215.03781	1.5
215.17915	62.4
216.18210	3.0
217.11995	1.6
233.18964	72.3
234.19164	1.6
241.19545	2.6
243.21092	5.2
249.14819	1.8
249.18542	1.7
251.20018	4.6
259.20496	4.5
261.22119	23.1
275.23563	1.7
277.14417	1.8
277.21619	7.2
289.21402	3.3
291.23074	2.9
299.20447	2.1
301.21558	3.1
303.23016	4.7
307.22644	24.3
313.21518	2.0
315.22958	2.8
319.22617	2.2
321.23956	1.9
323.23297	1.7
325.23672	17.4
327.23239	2.2
335.25626	2.4
341.24661	2.6
345.24152	2.9
351.23111	5.8
357.24258	1.6
369.24225	12.5
387.25363	9.7
405.26328	13.6
423.27359	10.2
473.66940	1.5
502.05185	1.6
575.49719	10.6
578.86951	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	764.5291
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	2.1
55.05501	25.2
57.03426	18.5
57.07059	5.1
61.02916	5.1
65.03925	3.8
65.51717	0.6
67.05492	100.0
68.05824	1.0
69.03415	2.0
69.07054	21.5
71.04977	4.7
71.06730	1.2
71.08612	1.5
73.02900	1.9
77.03903	1.1
79.05476	77.2
80.05801	0.8
81.03406	1.5
81.07041	95.9
82.07365	1.4
83.04981	3.3
83.08603	11.1
85.02889	4.8
85.06521	3.4
91.03931	1.9
91.05461	40.8
92.05788	0.9
93.07025	87.3
94.07356	1.7
95.04952	7.8
95.08587	73.0
96.08926	0.8
97.02880	3.1
97.06515	5.4
97.10159	4.9
99.08092	4.4
103.05459	0.8
105.04494	1.7
105.07010	32.9
107.08574	42.2
109.02887	0.6
109.06493	3.8
109.10133	34.0
111.08054	3.6
111.11712	0.9
113.09640	1.7
115.05452	1.0
117.06201	0.7
117.06997	12.3
119.08556	27.5
121.06486	0.6
121.10120	44.6
122.10424	0.7
123.08051	2.5
123.11687	15.3
125.09604	3.2
128.06210	0.9
129.05444	1.6
129.06958	3.9
130.07758	1.0
131.08546	23.7
133.10106	28.3
134.10432	0.8
135.08031	1.4
135.11662	34.2
136.11971	1.0
137.09586	1.7
137.13220	3.9
139.11174	1.8
141.07054	0.6
142.07751	0.8
143.08546	3.9
145.10097	20.0
147.11658	20.2
148.12016	0.7
149.09668	2.5
149.13225	17.6
150.13626	0.7
151.11163	1.9
151.14801	1.2
153.12723	1.2
155.08469	1.1
157.10124	3.6
159.11667	17.5
159.12991	1.2
161.09633	0.7
161.13225	8.4
163.11145	2.0
163.14801	4.4
165.12715	1.1
169.10132	1.2
171.11642	6.0
173.13229	13.6
175.14786	5.2
177.12730	1.2
177.16338	1.8
179.14313	0.9
183.11653	1.1
185.13177	3.2
187.13274	0.9
187.14804	6.6
189.16370	2.8
191.14301	0.7
191.17921	1.3
197.13220	1.5
199.14790	1.6
201.16380	1.9
203.14377	0.9
203.17943	2.4
205.15929	1.1
205.19446	2.5
209.13150	0.5
211.14812	0.9
213.16359	7.3
215.17906	20.8
216.18163	0.7
217.19409	3.2
219.21405	0.6
223.14912	0.7
225.16533	0.9
227.18077	0.9
231.17392	6.6
231.20963	0.9
233.18961	17.2
233.22496	0.9
234.19295	0.6
235.20592	1.2
241.19791	2.5
243.21021	4.2
245.22548	0.6
251.20030	0.6
253.19446	0.6
257.19009	0.8
259.20496	5.3
261.22067	13.3
263.19974	0.8
263.23499	1.0
271.20541	0.7
277.10004	0.5
279.23184	0.8
282.70670	0.5
287.23187	0.6
289.21606	1.4
295.22473	0.6
299.23523	0.7
301.21564	0.5
305.21091	4.1
307.22610	84.8
308.22849	4.0
309.24161	10.8
317.24710	3.1
321.24255	0.9
327.26675	0.7
333.24216	5.5
335.25729	86.8
336.26047	4.9
337.27252	7.3
351.25430	0.6
353.26755	1.0
367.29980	0.6
409.30713	0.6
469.27155	1.0
470.18793	0.6
473.36783	0.8
475.39618	0.8
489.35892	0.6
493.40332	3.9
511.40808	1.5
515.37360	0.9
567.44000	21.7
568.44067	2.0
575.49597	1.5
585.44983	20.3
586.45038	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	764.529
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	1.9
55.05503	25.8
57.03431	19.9
57.07064	5.8
61.02913	6.2
65.03927	3.6
67.05493	100.0
68.05862	0.8
69.03401	1.6
69.07056	22.2
69.32458	1.8
69.32872	9.0
71.04982	4.2
71.08607	1.0
73.02923	1.4
77.03904	1.4
79.05479	80.5
80.05804	1.1
81.03400	1.1
81.07043	92.6
83.04961	2.6
83.08604	12.3
85.02878	5.6
85.06509	4.4
91.03970	1.9
91.05468	43.1
93.07030	88.4
95.04960	8.8
95.08591	76.9
96.08940	0.8
97.02859	4.4
97.06527	5.6
97.10146	4.3
99.08090	4.4
105.04523	0.9
105.07013	35.6
107.08577	42.0
109.06512	3.4
109.10139	32.8
110.10532	0.9
111.08086	3.0
111.11705	1.3
113.09668	1.4
115.05503	0.9
117.07000	14.0
119.08561	28.0
121.10122	45.3
123.08056	2.2
123.11677	14.1
125.09618	1.9
129.05469	1.3
129.06985	3.3
130.07805	1.0
131.08546	23.1
133.09081	1.5
133.10104	30.9
135.08076	1.2
135.11671	32.1
137.09590	2.2
137.13258	4.8
139.11197	1.5
141.06941	0.9
143.08549	3.4
145.10103	18.0
147.10493	1.2
147.11658	20.8
147.12770	1.5
149.09593	2.5
149.13235	17.6
151.11121	1.7
153.12672	1.0
155.08501	1.1
157.10127	2.7
159.11655	14.1
161.13213	9.0
163.11136	1.9
163.14793	5.1
165.12770	1.1
169.10097	1.1
171.11693	6.1
173.13252	13.6
175.14812	6.2
177.12778	1.2
177.16374	1.2
181.59317	0.8
183.11754	1.1
185.11700	1.4
185.13249	3.2
187.14792	6.0
189.12611	1.0
189.16400	2.8
191.14299	1.1
191.17952	1.2
197.13263	0.9
199.14813	2.7
201.16345	2.1
203.17953	2.7
205.15868	0.8
205.19516	2.7
211.14795	1.2
213.16357	7.2
215.17905	23.9
215.19872	1.6
217.19514	2.8
229.19576	1.1
231.17422	8.2
233.18967	18.5
235.20517	1.8
241.19510	3.0
243.21063	4.9
251.19925	1.4
257.18857	0.8
259.20587	5.7
261.22107	16.3
263.23730	1.0
277.21686	1.2
289.21756	1.8
305.21106	4.5
307.22620	95.3
308.23016	3.1
309.24213	9.5
315.23325	1.2
317.24664	2.9
333.24313	4.1
335.25735	89.4
336.25967	4.6
337.27316	7.5
353.27399	1.1
493.40442	3.9
501.35925	0.9
503.37457	1.1
511.41190	1.5
515.37531	0.9
546.44128	0.9
549.42389	1.2
567.43976	27.3
568.44281	2.1
585.36084	1.1
585.45142	21.8
586.45599	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	760.5767
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	2.3
57.07066	32.7
67.05488	1.5
69.07058	5.5
69.46095	4.2
69.46503	0.7
71.08620	30.4
73.02887	1.2
73.06544	10.2
79.05479	0.8
81.07032	1.2
83.08607	5.2
85.10168	17.6
86.09702	1.2
87.04458	12.4
89.06017	100.0
91.07584	1.2
91.56834	0.5
93.07027	1.1
95.08591	0.9
97.10171	5.9
98.20685	0.9
99.11707	2.3
106.66677	0.5
107.07044	3.5
109.10130	0.7
111.11700	3.8
112.26693	0.5
113.05943	0.6
113.13271	1.3
115.07584	0.5
116.01691	0.6
117.09115	9.9
117.09883	0.9
117.57162	0.4
125.13271	1.9
127.14816	1.5
128.51643	0.4
130.08624	5.4
131.07013	3.3
133.08580	57.5
134.08870	0.5
135.10161	0.7
139.14737	0.7
141.16379	0.9
147.29793	0.5
161.11736	3.2
175.09662	2.3
177.11197	26.8
178.11610	0.5
179.12825	0.8
184.07281	2.5
197.22575	2.3
205.14229	0.6
211.68126	0.5
217.05518	0.4
219.12387	1.0
221.13774	5.3
239.14899	2.1
241.25259	3.6
265.16406	0.9
273.97156	0.5
283.17578	2.0
285.27841	9.1
309.19061	1.3
319.24396	0.5
327.20215	1.1
329.30420	5.9
353.21851	0.8
397.24414	1.1
435.36795	0.6
503.30966	0.8
547.33490	2.0
571.47198	4.2
572.47845	0.9
743.55145	5.3
760.57819	6.1
781.42639	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.4815
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	9.0
55.01860	13.8
55.05502	36.3
57.03421	26.0
61.02905	5.9
65.03926	6.9
67.05491	86.2
69.03407	22.4
69.06773	2.6
69.07055	30.5
69.69656	20.8
71.04990	13.7
73.02884	3.1
79.05478	86.1
81.03401	16.2
81.07038	100.0
82.69472	2.9
83.04957	12.5
83.08596	15.4
85.02884	17.4
85.06517	9.2
91.05457	81.5
93.07024	91.2
95.04943	20.0
95.08591	63.4
97.02879	17.5
97.06502	23.4
97.10155	6.9
99.04428	5.5
99.08067	9.6
105.04488	4.0
105.07013	56.7
107.04919	12.2
107.08579	46.4
109.02863	6.1
109.06496	24.8
109.10117	22.0
111.04417	7.1
111.08062	8.4
113.05945	3.6
117.06998	35.0
119.04939	4.7
119.08562	44.6
121.06473	6.6
121.10114	29.4
123.08073	15.3
123.11653	7.2
125.05978	3.9
127.03891	7.0
129.05518	3.8
129.06999	23.2
131.08540	46.0
133.06494	3.6
133.10118	41.9
135.08026	11.8
135.11658	19.6
137.09569	10.3
141.06955	12.8
143.08516	15.6
145.04855	3.0
145.10085	47.2
147.08018	5.1
147.11639	25.8
149.09575	24.5
149.13208	11.8
151.07440	3.5
151.11069	3.9
155.08511	12.1
157.10095	24.5
159.07997	5.8
159.11658	30.6
161.09583	6.1
161.13220	11.2
163.11151	9.9
165.09074	3.6
169.10118	16.0
171.11646	17.1
173.13246	20.7
175.11174	18.1
175.14766	3.5
177.12711	9.6
181.10081	3.2
183.11650	14.3
184.07298	6.1
185.07893	3.3
185.09534	5.3
185.13260	11.6
187.11067	5.8
187.14763	11.6
189.12796	3.7
191.14229	5.2
193.10103	3.4
195.11674	5.4
197.13272	6.5
199.14766	7.2
201.07455	3.5
201.16360	14.0
203.14204	3.7
211.14833	15.1
213.12796	2.8
219.17357	9.1
225.16331	3.4
227.14232	4.1
229.15831	34.7
237.16209	3.8
247.14743	3.5
247.16924	27.3
261.21988	4.9
275.20029	7.8
303.19336	3.9
307.22556	30.4
321.20535	28.8
333.24249	4.7
335.25751	48.3
349.23730	5.1
379.87741	3.6
489.36813	3.4
501.35623	10.6
509.09808	3.7
513.35193	7.4
515.36768	3.3
527.36432	3.5
529.38501	4.8
541.38702	3.6
572.46979	12.8
581.42084	49.9
599.43097	24.4
707.44440	3.5
725.45587	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	758.5035
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	2.7
55.01841	1.1
55.05500	14.3
56.44131	0.8
57.03431	6.8
57.07056	2.9
60.08150	5.8
61.02901	3.7
65.03929	1.5
67.05493	67.6
68.05833	1.0
69.03413	2.1
69.07056	12.1
69.58866	1.5
69.59184	7.5
71.04585	1.4
71.04977	21.4
71.07347	3.5
71.08609	1.1
73.02904	1.3
79.05479	32.3
81.03388	1.9
81.07043	98.6
82.07376	2.1
83.04958	2.6
83.08601	7.8
85.02885	2.8
85.06542	9.7
86.09689	26.8
91.03928	1.3
91.04893	1.5
91.05461	29.0
93.07026	40.2
94.07375	1.4
95.04961	3.3
95.08591	28.5
97.02853	1.9
97.06516	5.5
97.10149	3.1
98.20727	1.6
98.98472	2.4
104.10713	2.4
105.07010	17.5
107.08575	20.8
109.06497	2.7
109.10131	14.4
111.08062	2.9
117.07017	5.6
119.08572	9.3
121.10130	17.1
123.08005	1.4
123.11687	14.2
124.99981	17.7
129.05418	0.9
129.06999	1.0
131.08574	8.8
133.10110	20.4
135.08134	0.9
135.11691	10.1
143.08519	1.4
145.10101	5.3
147.11678	5.2
149.13214	7.2
151.11131	7.7
159.11671	8.2
161.13297	2.7
169.10202	1.0
169.12242	1.5
173.13203	3.1
175.14798	1.4
177.12759	2.9
183.13742	3.1
184.07307	100.0
185.13113	1.5
187.13237	4.2
187.14746	1.5
195.13795	2.4
197.13100	1.3
201.14801	1.4
218.50027	0.9
227.16335	2.7
253.17813	1.8
257.17484	2.0
259.20538	1.3
261.21982	2.2
269.17383	6.4
301.20035	26.1
333.24115	1.2
335.25739	28.2
336.25870	1.5
373.96844	1.1
411.32602	2.0
429.33438	1.1
437.34161	1.5
455.34964	1.3
485.36206	2.6
503.37231	98.7
504.37424	7.1
511.37848	1.8
517.38721	5.1
529.38757	22.5
530.38910	1.6
547.39923	1.5
561.41400	99.3
562.42017	7.0
586.45081	1.3
740.74384	1.0
758.56128	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	751.4225
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.6
55.01851	0.6
55.05508	1.5
56.67607	0.4
57.03431	1.9
61.02924	5.6
67.05497	4.5
69.03409	2.8
69.07075	0.6
71.04996	1.3
71.63552	0.8
73.02913	3.2
79.05484	4.6
81.03409	3.0
81.07050	5.0
83.05003	0.7
83.08624	1.0
85.02903	4.9
87.04488	0.6
91.03934	3.2
91.05458	2.5
93.07032	4.2
95.05015	0.9
95.08613	2.0
97.02865	4.5
97.06551	0.9
99.04473	1.2
101.02374	1.8
103.03924	0.6
105.07062	1.8
107.04958	0.6
107.08593	1.4
109.02882	0.8
109.10168	1.5
117.07057	0.8
119.08577	1.4
121.10122	2.5
127.03974	1.3
129.07059	0.7
131.08563	1.3
133.10176	1.4
135.11707	1.0
145.10139	0.5
147.11740	1.1
149.09660	1.2
193.12430	0.9
243.08380	2.7
283.15100	6.5
307.22781	1.2
309.25143	0.5
339.17822	0.6
491.26108	9.2
501.22986	7.3
501.29321	0.6
557.97791	0.5
644.00787	0.6
733.35583	0.6
750.21729	0.5
751.42493	100.0
752.43152	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	751.4221
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03917	0.6
55.01861	0.5
55.05497	0.9
56.70073	0.2
57.03421	1.7
57.03651	0.3
59.04980	0.4
60.30132	0.3
61.02909	5.0
67.05492	4.2
68.56406	0.3
69.03417	3.0
69.07045	0.7
71.01340	0.5
71.04972	1.0
73.02896	3.7
73.24788	0.3
76.91036	0.3
79.05480	2.5
81.03400	7.3
81.07034	3.7
83.04971	0.4
83.08588	0.5
85.02885	4.1
87.04455	0.7
91.03918	3.2
91.05460	4.1
93.07025	4.3
95.04939	0.7
95.08582	3.0
97.02872	4.1
97.06503	0.4
98.20708	0.7
99.04433	0.8
101.02345	1.8
103.03916	0.6
103.71933	0.3
105.06994	0.9
107.08574	1.2
109.02845	0.7
109.06625	0.3
109.10117	2.5
111.08070	0.8
115.03924	0.6
117.06996	0.6
119.08553	2.8
121.06490	1.5
121.10139	0.8
123.08020	0.6
125.09632	0.6
127.03843	1.4
129.06970	0.5
131.08521	0.6
133.10081	0.6
133.78322	0.2
135.11690	0.7
135.80315	0.3
137.09572	1.8
139.07593	0.3
144.99869	0.3
145.04904	0.4
147.08043	1.0
147.11627	0.3
153.09081	0.6
161.11763	0.3
165.09074	2.5
185.04234	0.8
187.72717	0.3
220.52695	0.3
225.10974	0.4
229.46753	0.4
239.12776	1.1
243.08292	2.4
255.11948	3.4
259.07864	0.4
311.14532	0.6
335.25983	0.5
344.13034	0.3
441.17374	0.5
473.19836	13.6
474.20309	0.6
519.29230	6.2
520.29712	0.7
571.36627	0.4
751.42181	100.0
752.42511	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	755.3425
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05486	0.4
61.39423	0.2
64.70070	0.2
67.05486	0.7
68.85678	0.2
69.07063	0.4
69.95979	1.0
71.00788	0.2
79.05479	0.3
81.07022	0.5
83.08575	0.2
86.09684	0.4
89.05972	0.2
89.66117	0.2
90.35902	0.2
91.05457	0.4
93.07037	0.5
95.04936	0.3
95.08578	0.3
98.21471	0.2
99.98112	0.2
103.05458	4.2
105.07033	0.2
117.07054	0.2
119.08585	0.2
120.08125	0.2
124.99948	0.2
129.06940	0.2
131.04904	6.7
134.09636	0.2
135.11633	0.2
137.05954	0.5
146.05963	0.2
156.08022	0.2
163.07622	0.2
167.54625	0.2
177.44962	0.2
178.08653	0.2
184.07324	1.3
204.06573	0.2
209.10718	0.3
210.11505	0.2
215.97552	0.2
221.10846	0.4
222.11566	0.3
223.12230	0.4
224.13213	0.2
225.13898	0.4
233.10800	0.2
235.12262	0.5
237.10272	0.2
237.13805	0.3
248.13127	0.2
249.13870	0.4
261.10107	0.2
263.15512	0.2
275.15253	0.2
278.11594	0.2
307.10681	0.2
314.12885	0.2
328.17819	0.2
339.84232	0.2
340.14432	0.2
371.17587	0.2
378.16171	0.2
383.17981	0.2
394.15607	0.2
401.17380	0.4
402.17908	0.2
403.19165	0.4
413.17218	0.4
415.19302	0.8
416.19913	0.5
417.20728	0.6
418.21799	0.3
427.19391	0.5
428.20029	0.6
429.16736	0.6
429.21823	0.9
430.21582	0.6
431.18542	0.9
431.22928	0.6
432.19058	0.2
433.23773	0.8
441.16467	0.3
441.21643	0.2
442.17865	0.6
442.22617	0.3
443.18607	1.5
443.23099	0.7
444.18781	1.1
445.20258	1.7
445.25037	0.5
446.21011	0.7
447.21686	0.2
454.17810	0.3
455.18402	0.6
456.19003	0.5
457.19415	2.3
458.20285	1.3
459.21506	4.7
460.22394	2.5
461.23303	1.2
469.19931	1.3
470.20865	1.4
471.21664	2.9
472.22491	2.7
473.23306	4.8
474.24191	1.0
483.21799	0.6
484.22479	0.7
485.23407	2.2
486.23975	0.6
487.25461	0.3
489.22934	0.3
491.24103	0.2
492.25302	0.2
499.24988	0.5
501.26294	0.6
503.24509	0.2
505.22253	0.4
513.22809	0.2
517.21625	1.3
518.23260	0.2
519.23914	0.9
527.24469	0.3
529.22058	0.5
530.23566	0.8
531.23755	1.5
532.24634	1.4
533.25415	5.7
543.23962	0.7
545.25433	5.9
546.25940	0.7
549.22736	0.3
551.23779	0.2
557.25934	0.5
558.26038	0.2
559.27112	0.6
563.21558	0.4
564.23822	0.3
565.25415	0.4
573.24493	0.4
575.22736	0.3
576.23016	0.3
577.22241	1.0
578.23267	0.3
579.24341	0.6
583.43451	0.3
590.25214	0.4
591.23907	0.5
592.25232	0.7
593.26721	2.4
603.26001	0.6
604.26575	0.3
605.27478	6.1
606.27686	0.7
607.26984	2.6
608.27515	1.2
609.28296	1.0
617.27423	1.6
618.28003	0.4
621.28473	0.6
622.29242	0.8
623.29822	0.7
635.28357	0.4
637.25952	0.2
639.30011	0.3
653.28442	0.7
665.27563	0.7
667.29053	2.3
680.29865	0.4
681.30408	2.0
682.30939	0.3
695.32147	6.6
695.44104	0.4
696.32544	0.5
711.28949	0.3
725.29779	0.6
740.31812	0.5
755.34229	100.0
756.34528	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	750.5135
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	7.4
55.05501	30.9
55.77742	3.4
57.03424	24.3
57.07058	8.2
60.20664	3.5
61.02905	4.7
64.46903	3.3
67.05492	90.9
69.07062	24.6
69.96347	6.8
69.96763	12.7
79.05477	86.3
79.93147	3.0
81.07043	100.0
83.08598	10.9
85.02874	6.0
85.06522	4.4
87.04460	27.8
89.05997	4.1
91.05460	58.5
93.06459	5.8
93.07024	96.9
95.04942	12.1
95.08589	77.6
97.06520	3.0
97.10133	5.6
98.21445	4.4
99.08064	4.8
103.05476	4.3
105.07009	36.8
107.08569	58.7
109.06494	4.4
109.10128	43.5
111.08013	4.3
117.06985	10.8
119.08546	33.8
121.10128	40.9
123.11700	8.7
131.08572	25.9
133.10104	38.2
135.11642	35.9
137.13197	7.1
143.08539	6.6
145.10094	24.6
147.11671	19.0
149.13234	11.3
157.10095	7.6
159.11644	19.5
161.13231	10.8
163.11206	4.7
171.11642	9.5
173.13242	13.3
174.75418	4.2
175.14825	7.9
177.12740	3.5
177.16335	4.2
183.76672	3.4
184.07289	5.2
184.97461	3.8
185.13263	3.7
187.14799	5.4
189.16345	4.6
201.16382	8.5
204.99451	4.6
213.16354	8.3
215.17964	21.5
219.17355	5.4
229.19637	4.1
231.17433	4.8
233.18961	14.0
245.19054	5.6
247.20457	11.4
259.20532	4.8
261.21945	4.1
293.21082	32.5
303.23148	4.5
305.21115	4.2
307.22614	68.8
309.24091	8.3
321.24170	66.1
323.25522	5.5
335.25739	24.2
337.27200	4.2
479.38522	9.7
497.39142	3.6
553.42499	28.2
571.43390	22.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.2428
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.9
55.01647	0.3
55.01865	3.4
55.05509	0.5
57.03426	3.9
59.04998	0.3
61.02915	3.4
65.03937	0.4
68.99774	2.5
69.03418	19.1
69.97417	1.5
70.06576	2.6
71.01353	0.5
71.04987	2.4
72.08138	0.9
73.02908	3.0
79.05483	1.4
81.03404	14.6
81.07032	0.8
83.01328	0.5
83.04960	0.9
84.04482	1.1
84.08125	2.5
85.02890	49.6
85.22168	0.3
86.03224	0.3
86.09692	4.0
87.00815	14.2
87.04456	0.5
91.03939	1.0
91.05460	3.4
94.04176	2.8
95.04950	0.8
97.02879	15.5
99.03819	0.4
99.04441	6.2
101.02371	0.7
101.07086	0.3
103.03911	1.2
103.05445	1.3
105.01850	16.4
105.03361	0.5
105.07021	4.3
107.04941	1.1
109.02862	17.0
109.06508	1.8
110.07172	0.6
111.04427	1.1
115.03903	1.1
115.05439	2.9
117.01829	1.4
117.06991	1.3
118.04128	0.4
119.04919	0.8
119.08560	2.0
120.08104	0.6
121.06486	0.7
122.03632	5.3
123.04427	0.4
125.02353	0.4
127.03896	32.4
128.04231	0.4
128.06197	1.4
129.01817	2.9
129.05458	0.6
129.06999	2.1
129.10222	1.2
131.04930	1.8
131.08516	0.3
132.05690	1.6
132.79993	0.3
133.06483	4.4
135.04382	0.5
137.05954	100.0
138.06277	1.8
139.03888	0.5
141.06979	0.4
143.04866	0.9
145.04941	11.5
145.06436	1.1
146.03604	0.8
147.02882	2.9
147.04344	1.4
147.06793	0.5
147.07986	2.6
147.83038	0.3
149.05963	1.6
149.07005	0.3
151.03905	1.2
151.07513	0.9
155.04878	1.0
156.05757	0.7
157.06470	0.6
159.02866	6.6
159.08034	2.7
160.05170	1.8
161.05952	16.4
162.06302	0.3
163.03979	0.4
163.07457	1.9
165.06944	0.3
167.06993	0.3
169.05035	0.4
169.10077	0.3
171.02911	0.7
171.04324	0.4
171.08009	0.9
172.05167	1.0
173.05865	0.3
175.07523	29.3
176.07864	0.5
177.03909	0.6
177.05331	0.4
177.09038	0.4
179.07021	1.5
181.04942	1.0
181.06398	0.5
184.05168	0.9
185.05876	0.4
187.05843	0.7
187.07507	10.2
189.03941	2.0
189.05417	0.7
189.07005	0.8
189.09000	1.1
190.07753	2.0
191.06921	0.7
191.08551	7.8
199.07492	5.8
202.07706	1.8
203.06918	0.4
203.08537	4.2
204.09270	0.4
205.06590	0.5
208.08783	1.1
213.03873	1.5
213.08978	0.4
215.08638	0.5
217.08566	1.1
218.07184	2.2
219.08023	10.1
220.08794	2.3
221.09465	0.5
227.06764	0.3
229.08583	0.6
230.07181	0.6
231.02679	0.4
231.04971	7.1
231.08000	4.9
232.08789	1.5
233.06340	0.4
233.09555	0.9
235.07521	0.8
236.08228	2.0
237.08983	0.4
243.08136	0.5
246.06732	0.3
247.07510	5.0
248.04398	0.3
248.08266	3.0
249.05923	1.0
249.08896	0.5
250.09802	0.3
251.10638	19.2
252.11035	0.5
253.08710	0.5
258.06622	0.4
259.07495	4.3
260.08240	2.5
261.09052	1.2
262.09744	0.6
263.10617	3.0
264.07764	1.6
265.08463	1.2
268.10767	0.3
271.07874	0.6
273.06036	0.4
273.09000	0.4
275.06888	0.5
275.10336	0.4
276.07828	1.6
277.08582	2.3
279.07050	0.7
279.10114	13.5
280.10852	1.7
281.08081	1.4
288.07895	0.3
289.08588	0.5
291.10123	10.3
292.10690	1.6
293.08426	0.5
293.11578	0.5
295.09872	0.4
295.13315	0.8
296.10434	1.6
297.11316	0.3
303.10153	1.0
305.11597	0.3
308.10324	0.8
309.11169	0.9
311.12723	46.3
312.12988	1.2
315.10049	0.5
321.11197	0.9
323.12732	18.9
324.13046	1.1
325.14270	0.5
333.11041	0.7
335.12802	2.3
338.02994	0.3
341.13831	2.1
347.12515	0.9
353.13837	1.9
359.12866	0.5
361.96078	0.3
365.13773	0.8
373.14526	0.4
377.13727	0.9
401.13797	1.8
419.14890	1.3
437.15714	0.7
505.14215	0.4
523.15753	1.2
541.16827	1.2
559.17755	0.9
646.30524	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	746.4671
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.8
55.01868	2.2
55.05502	7.9
57.03428	12.4
57.07074	0.8
59.04989	0.8
61.02908	0.5
61.04247	0.5
65.03938	1.4
67.05495	35.5
68.05835	0.5
69.03426	1.6
69.07056	11.4
69.85244	1.0
69.85650	1.9
71.01338	0.8
71.04973	3.5
71.08652	0.6
73.06551	0.5
74.67548	0.4
79.05479	23.5
81.03405	100.0
81.07044	35.8
82.03748	0.7
82.07384	0.6
83.04967	3.3
83.08588	4.1
85.02888	2.1
85.06518	1.6
89.06038	0.6
90.26281	0.4
91.04884	0.8
91.05467	26.6
93.07028	29.9
94.06516	0.5
94.07387	0.5
95.04959	6.1
95.08592	30.8
97.02879	2.0
97.06512	4.1
97.10163	1.5
98.21494	0.5
99.08067	0.9
103.03970	0.5
105.04518	1.0
105.07012	10.3
107.04932	1.7
107.08579	14.7
109.06502	2.3
109.10133	14.5
109.10883	0.6
111.08070	1.2
113.09635	0.5
115.05328	0.5
117.06989	5.6
119.08564	26.9
120.08910	0.5
121.06506	6.8
121.10122	12.6
123.04418	2.1
123.08039	4.6
123.11681	4.1
125.05940	0.7
125.09608	0.9
127.07574	0.6
129.06956	3.5
131.08548	7.9
133.06485	0.9
133.08644	0.6
133.10107	7.3
135.08032	2.3
135.11653	8.1
137.09598	20.9
137.13220	1.4
139.11128	1.1
141.06992	0.6
143.07068	3.2
143.08511	2.3
145.04950	1.1
145.06496	0.8
145.10095	7.6
147.08034	7.6
147.11667	4.9
149.09610	2.2
149.13235	5.2
155.08549	0.8
157.10152	2.3
159.08058	0.6
159.11684	5.4
161.08087	1.0
161.09422	1.0
161.13248	2.8
163.07512	1.6
163.11194	0.8
163.14848	2.6
165.09091	20.2
167.08409	0.5
167.10661	1.3
169.10080	1.2
169.12239	0.6
171.11661	2.0
173.13193	4.3
175.11029	0.7
175.14804	2.2
177.08997	0.9
177.12770	1.0
177.16359	1.0
179.10623	0.7
181.10109	0.9
183.10146	1.1
183.11723	1.4
184.07327	1.6
185.13286	1.4
187.14838	2.6
189.09061	0.7
189.16406	0.5
195.11707	0.7
197.13242	1.3
199.09618	3.8
199.11177	0.6
199.13124	0.7
199.14821	1.1
201.11140	0.6
201.16385	0.9
205.12210	1.3
207.10071	0.9
207.13719	0.9
209.13295	1.0
211.14795	0.8
213.16354	0.7
215.17970	0.8
219.13773	1.3
220.35625	0.5
223.14896	0.6
225.16336	0.6
227.19960	3.5
233.15363	0.6
239.12737	67.2
240.13103	1.8
243.21101	2.9
247.16847	0.7
259.17087	0.7
259.20535	0.6
261.22113	10.2
271.15588	0.7
271.20578	0.5
273.16870	0.7
279.23080	1.0
281.13763	1.6
285.21994	0.7
287.20074	0.6
299.23727	1.2
301.25208	2.4
315.19833	0.5
317.24722	2.8
327.23047	1.0
329.21155	0.7
333.20432	0.7
333.24158	1.1
335.25748	46.6
336.25977	1.4
345.24252	0.6
363.25513	0.6
373.27176	0.7
375.21490	1.3
379.29889	1.0
389.23132	0.8
389.28275	1.2
393.22549	1.8
397.30786	0.8
401.26761	1.9
407.24136	1.6
407.29333	6.5
421.25601	0.6
425.30490	7.0
443.31277	2.1
447.27374	0.9
481.32834	3.9
499.34094	44.8
500.34494	3.6
517.35187	42.0
518.35760	2.5
531.36749	3.3
541.35016	2.1
549.37817	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	748.4463
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	2.1
55.01855	3.9
55.05255	0.8
55.05503	11.1
55.17636	0.5
57.03426	13.8
57.07065	3.3
61.02904	3.3
63.44006	0.4
65.03931	2.1
65.19932	0.4
66.58649	0.5
67.05491	40.3
68.05823	0.5
69.03411	1.9
69.07054	47.8
69.73943	1.4
69.74354	1.4
70.07378	0.5
70.28288	0.4
71.01328	1.0
71.04973	2.3
71.08631	2.3
73.02910	1.4
73.06553	4.1
79.05477	38.8
79.63672	0.5
81.03405	10.0
81.03844	0.9
81.07040	100.0
82.07375	1.6
83.04971	2.9
83.08599	7.0
84.61873	0.5
85.02888	11.6
85.06528	1.7
85.10156	1.9
86.03191	0.4
86.09686	1.4
87.04430	1.0
89.06013	8.6
91.03941	1.5
91.04878	0.8
91.05462	17.6
93.07024	29.7
93.50448	0.5
95.04942	3.8
95.05378	0.4
95.08591	28.5
96.08914	0.6
97.02872	3.3
97.06509	12.3
97.10148	1.9
99.04453	0.9
99.08069	4.5
99.11704	0.5
103.03930	1.7
103.05428	0.5
104.11401	0.5
105.04490	1.1
105.07010	11.6
107.04942	2.3
107.07845	1.0
107.08571	19.1
108.08852	0.4
109.02895	0.6
109.06503	3.6
109.10133	11.4
110.10488	0.8
111.08094	2.3
113.06024	0.5
115.05429	0.9
115.07541	7.6
117.06992	9.3
117.09127	1.3
119.08554	11.1
121.06509	2.4
121.10121	12.3
123.08022	2.5
123.11682	3.9
124.99991	1.0
125.05949	0.5
125.09619	1.7
127.07523	4.7
129.05499	1.0
129.07016	1.4
129.08978	0.4
130.07828	0.5
131.08562	8.4
133.06418	0.5
133.08589	4.5
133.10100	6.7
135.08028	11.2
135.11655	6.7
136.12057	0.6
137.05937	0.8
137.09581	2.6
137.13251	1.2
139.07520	1.8
139.11185	1.2
141.06956	0.9
143.06992	2.4
143.08559	1.4
145.06497	0.6
145.08597	7.4
145.10112	5.8
147.08051	1.4
147.11679	5.3
149.09677	1.1
149.13202	4.1
151.11102	0.8
153.09114	1.9
155.07060	0.6
155.08496	0.8
157.08784	0.8
157.10135	2.1
159.11653	4.8
161.09595	0.4
161.13220	3.8
163.07501	5.2
163.11156	1.0
163.14754	2.4
165.09053	3.4
165.12738	0.6
169.10071	0.7
171.10164	2.9
171.11702	2.0
173.11815	0.6
173.13179	4.1
175.09689	1.5
175.11140	0.5
175.14819	1.5
177.11214	2.2
177.12689	0.9
179.14268	0.7
181.08580	3.4
183.10168	0.9
183.11679	1.1
184.07332	4.5
185.11810	0.5
185.13280	1.8
187.14857	2.8
189.11234	1.2
189.12762	0.7
197.13216	0.6
199.09642	5.6
199.14825	0.7
201.11179	34.5
201.16283	0.8
202.11714	0.8
209.13249	0.7
211.14871	0.8
217.10626	2.3
229.21657	1.4
231.12433	0.5
233.22897	0.5
239.12660	4.0
241.14351	0.6
243.21048	2.4
247.16982	0.5
249.97229	0.5
255.12346	1.2
259.20660	1.4
261.22116	10.8
262.22504	0.6
273.13272	10.4
273.16016	0.7
277.21753	1.4
285.22131	0.9
287.20059	0.5
289.21710	1.6
291.14322	1.4
299.23703	0.5
301.21439	0.5
315.23413	1.0
317.15591	0.4
317.24866	1.3
327.23343	0.8
333.24478	0.8
335.25748	55.8
336.26172	2.3
341.36691	0.5
345.24356	0.9
351.25537	0.9
353.26697	0.5
363.25436	1.3
395.29251	0.5
405.27744	0.8
419.28162	0.6
423.29123	0.8
435.18906	0.6
461.32474	7.3
479.33496	0.7
489.32129	0.7
497.32446	1.0
515.33539	2.9
529.38879	0.5
533.34601	4.6
551.35907	1.7
706.49298	0.5
719.01935	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	746.4666
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03919	4.0
55.01855	3.1
55.05249	1.5
55.05496	15.9
57.03424	18.8
57.07048	2.9
61.02896	0.9
65.03909	2.5
67.05489	47.6
68.05827	0.9
68.53388	0.8
69.03397	3.2
69.07056	11.1
71.04985	4.6
71.08611	1.4
72.79557	0.9
73.02879	0.9
78.49132	0.9
79.05476	49.2
81.03398	75.0
81.07037	53.6
82.03764	0.9
83.04961	5.7
83.08123	1.5
83.08596	20.9
85.02882	1.8
85.06521	4.3
86.09697	1.3
91.05457	31.0
93.07022	49.3
94.07318	1.3
95.04946	24.5
95.08585	35.4
97.02863	3.6
97.06509	6.1
97.10157	4.3
98.20711	1.9
99.08065	3.3
104.85539	0.9
105.07008	25.0
107.04940	7.1
107.08569	25.6
108.08850	1.0
109.02867	1.0
109.06484	4.1
109.10131	16.0
111.04431	2.3
111.08060	8.3
111.65717	0.8
115.05429	1.4
117.07009	7.9
119.04920	1.1
119.08556	22.0
121.06479	2.9
121.10116	28.9
123.04388	1.8
123.08039	3.4
123.11684	6.7
125.09571	4.2
129.06956	9.4
131.08539	20.9
133.06445	3.2
133.10109	17.1
135.08022	2.5
135.10683	1.3
135.11661	17.6
137.09575	3.7
137.13211	1.2
142.07718	1.4
143.08475	2.5
145.10081	12.8
147.04262	1.1
147.07988	3.1
147.11661	12.2
149.09557	4.6
149.13240	9.1
157.10107	11.7
159.07953	1.2
159.11652	10.8
161.13213	3.8
163.11134	2.9
165.12703	2.9
169.10101	1.0
171.11649	2.3
173.13228	7.4
175.11137	10.3
175.14799	2.3
177.12698	1.7
183.11600	1.5
183.73123	1.0
184.07260	4.6
185.13220	2.0
187.13293	1.1
187.14780	1.8
189.11151	3.1
189.12651	1.3
189.16261	1.8
193.12202	20.9
197.13138	1.5
205.12242	1.6
205.19424	2.9
209.13318	1.3
211.13203	2.4
215.17902	26.6
227.12709	4.2
229.63684	0.9
233.18956	27.4
235.13182	2.4
249.14763	1.7
251.20175	1.5
255.20982	1.5
257.18985	1.9
259.13171	0.9
267.15854	100.0
268.16251	1.6
271.11685	2.3
273.14838	1.0
273.21997	4.3
285.16736	1.2
289.21564	1.7
301.14420	1.5
307.22601	82.8
308.22855	3.6
309.16754	2.6
315.19455	1.2
335.25714	2.9
389.23315	2.2
389.27972	1.3
407.24274	1.9
407.29373	5.2
425.30429	6.7
443.31311	3.6
473.32401	1.3
481.32907	1.6
492.32571	1.0
499.34085	56.6
500.34125	3.4
517.35150	55.8
518.35260	3.0
541.34827	4.3
616.19043	1.2
625.36578	1.3
643.38312	1.0
687.28815	1.1
704.64197	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	746.279
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.4
55.01875	0.5
55.05487	0.4
55.27224	0.3
58.25916	0.3
62.01596	0.4
64.91105	0.3
67.05486	1.1
67.14004	0.3
69.07056	0.7
70.19108	1.5
79.05479	2.1
81.03419	0.7
81.07047	1.3
83.08599	0.3
86.09679	0.4
89.03894	4.7
91.05455	4.0
93.07033	1.4
94.04176	0.3
95.04940	1.4
95.08604	0.8
102.04676	0.3
103.05449	20.2
105.07008	10.0
106.04155	0.4
106.07332	0.3
107.04900	0.3
107.08579	0.5
115.05437	3.2
117.03358	15.2
117.06998	0.8
119.04913	6.4
119.08540	1.2
121.06476	0.9
121.10130	0.5
127.03851	0.3
128.32765	0.3
129.06973	0.7
130.04115	0.4
131.04904	48.3
131.08536	0.7
132.05225	0.7
133.06464	6.1
133.10121	1.1
134.03618	1.0
135.04356	1.6
135.08008	0.3
135.11650	0.3
137.05911	3.1
143.06020	0.8
145.02817	42.0
145.10115	0.7
146.07237	3.4
147.04379	10.9
147.07974	0.6
149.05959	5.7
159.08051	1.2
160.05176	0.4
161.05956	18.6
162.06670	1.0
163.03909	0.5
163.07512	20.2
171.08018	0.6
175.07484	0.4
177.05435	100.0
178.05794	1.5
179.06976	2.9
184.07422	0.4
186.05457	3.1
187.07535	0.9
191.08653	0.5
195.06447	0.3
199.07497	4.1
202.07643	0.4
203.08519	1.4
205.06506	0.6
219.08014	1.2
220.08784	0.5
231.08170	2.4
231.17545	0.4
233.06020	0.4
234.06671	0.4
239.07047	0.4
239.12701	0.6
247.07462	0.7
248.08299	0.9
251.10394	0.4
259.07544	2.3
263.10666	0.8
276.07684	0.6
277.08627	0.5
289.08865	0.5
291.10092	14.3
295.13361	0.5
323.09033	4.3
323.12680	4.2
355.11700	2.4
358.35376	0.4
373.12689	2.7
453.13086	1.0
485.15933	6.1
513.31805	1.5
517.18579	1.9
531.32617	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.517
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	8.7
53.70238	1.8
55.01867	18.0
55.05500	33.9
57.03431	4.5
57.07066	100.0
65.03928	5.7
67.05492	53.8
69.03406	8.5
69.07052	28.3
71.08604	7.0
71.57568	3.1
79.05469	34.9
81.03417	14.3
81.07037	33.9
83.04948	4.8
83.08604	11.4
85.02895	3.6
85.10163	2.5
91.05463	46.1
93.07030	23.2
95.04968	14.2
95.08598	20.5
97.10146	5.0
103.05446	5.7
104.06258	2.2
105.03419	2.5
105.07017	28.4
107.04924	6.1
107.08549	11.0
109.06523	2.9
109.10109	12.7
115.05444	13.7
117.06982	18.6
119.08562	14.6
121.06474	4.7
121.10122	5.3
123.11666	2.8
127.11123	6.7
128.06187	14.3
129.06978	17.9
131.08528	13.6
133.06470	4.4
133.10080	4.2
135.11681	2.8
137.13089	2.5
141.06984	13.6
143.08525	9.4
145.06453	7.8
145.10097	6.6
147.07996	2.8
147.11632	3.7
152.06151	4.6
153.06931	9.2
154.07759	5.8
155.06020	2.8
155.08524	15.6
157.06418	3.9
157.10071	4.6
159.08023	3.3
161.13197	2.6
165.06953	16.1
166.07730	8.5
167.08537	14.0
169.06425	3.5
169.09962	5.1
171.08047	2.7
173.09627	2.6
175.14725	2.1
178.07727	13.5
179.08540	17.4
179.14255	5.3
181.06447	5.6
181.10089	6.8
183.08044	5.5
183.11806	2.0
184.07304	7.4
189.06952	6.2
190.07742	7.5
191.08522	13.7
192.09312	5.5
193.06465	2.4
193.10072	8.5
195.08047	6.5
195.11647	2.6
197.09534	4.8
202.07732	16.5
203.08516	19.4
204.09195	5.8
205.10046	12.5
206.07098	2.7
207.07974	5.2
209.09613	4.6
215.08470	16.9
216.09306	11.6
217.10056	13.0
218.10800	4.2
219.08051	8.7
219.11562	5.5
221.09496	6.9
221.13205	2.4
223.11090	2.3
226.07834	5.4
227.08484	10.5
228.09332	17.0
229.10123	17.8
230.10854	6.5
231.08008	9.0
231.11530	6.2
232.08871	3.9
233.09554	10.3
235.11073	2.7
236.46852	2.5
239.08437	18.1
240.09386	13.7
241.10056	21.0
242.10805	8.8
243.07959	6.4
243.11606	14.0
244.08780	4.5
245.09544	9.5
246.10509	3.2
247.11194	5.9
251.08624	3.2
252.09297	21.1
253.10054	25.8
254.10797	11.1
255.08022	6.5
255.11566	16.6
255.17523	3.2
256.08856	3.7
256.12503	4.9
257.09512	14.2
257.13226	6.4
258.10281	4.7
259.11060	6.8
261.09128	3.7
261.12466	3.7
263.08514	12.7
264.09280	10.6
265.10034	31.0
266.10843	15.7
267.11703	23.6
268.08829	2.8
268.12311	6.7
269.09653	12.1
269.13281	8.6
270.10333	3.2
271.11148	8.6
273.09164	5.1
273.12448	3.3
276.09253	27.3
277.10068	31.3
278.10803	23.0
279.11655	25.6
280.08865	4.1
280.12259	8.1
281.09613	9.1
281.13232	9.7
282.10291	7.6
283.11127	11.8
283.14423	3.7
284.11679	3.0
285.12543	4.1
288.09338	3.4
289.09998	35.1
290.10815	19.3
291.11548	33.6
292.08661	8.4
292.12302	11.9
293.09521	14.3
293.13181	15.5
294.10251	8.3
294.13809	5.9
295.11218	15.1
296.11890	5.4
297.09070	4.3
297.12732	7.6
299.10565	2.4
300.09329	8.3
301.10034	14.6
302.10843	26.5
303.11606	38.1
303.20920	3.1
304.09106	3.8
304.12292	18.3
305.09500	14.8
305.13165	24.0
306.10361	12.6
306.13663	4.3
307.11078	19.9
307.14633	9.8
308.11801	7.3
308.15204	3.1
309.12595	11.6
311.10684	4.5
311.14047	2.8
313.09903	15.7
313.19373	2.9
314.10968	13.6
315.11600	36.5
316.12335	20.3
317.09518	6.7
317.13187	28.1
317.18945	3.1
318.10263	11.1
318.13934	8.5
319.11060	16.0
319.14746	15.2
320.11789	8.2
321.12732	16.2
321.16251	3.6
322.13599	3.4
323.10535	3.3
323.14136	6.1
326.10724	15.9
327.11539	20.6
327.21170	3.7
328.12231	9.2
329.09464	7.2
329.13162	28.4
329.19067	4.8
330.10370	5.0
330.13858	11.4
331.11072	18.0
331.14844	12.0
332.11853	12.0
332.15524	4.8
333.12631	14.5
333.16183	4.7
334.13470	5.9
335.14127	9.0
339.11438	14.2
339.21063	3.6
340.12265	12.0
341.13095	20.5
342.10300	3.2
342.13947	4.9
343.11078	12.2
343.14761	17.3
343.20395	4.2
344.11752	7.2
345.12598	17.5
345.16281	7.2
346.13373	9.3
347.10358	3.8
347.14209	10.4
348.10925	3.1
348.14914	3.6
349.11847	3.5
351.21021	2.9
352.11893	3.6
353.13181	10.4
353.22260	2.7
354.13803	4.9
355.11157	5.4
355.14774	9.9
356.11588	4.8
356.15588	5.2
357.12610	14.0
357.16541	4.1
357.22006	5.0
358.13370	5.5
359.14243	14.6
359.17886	3.6
360.14917	5.1
361.11945	4.1
361.15817	3.8
362.16312	3.3
363.21054	3.6
364.12057	2.9
365.13293	4.9
365.22528	5.4
367.14551	6.9
369.12390	5.4
369.16479	5.4
369.22073	3.1
370.13336	3.9
371.14178	8.9
373.15744	6.4
376.21942	3.1
377.22653	3.5
381.21930	4.1
383.14218	6.5
384.14725	3.0
385.20456	2.9
387.21222	3.0
388.21735	3.5
389.14911	3.0
389.22696	3.8
391.24301	4.3
393.21869	5.1
395.23685	4.2
397.15875	3.5
401.22659	5.1
403.24286	4.3
405.21799	4.8
407.23230	4.6
415.24268	5.3
417.21671	3.8
419.23529	5.7
427.24152	4.1
431.23392	5.3
433.25040	4.8
435.22070	2.8
443.23618	4.8
444.24231	3.4
445.25137	9.1
456.24414	3.6
457.25018	7.7
458.25656	4.3
459.26672	3.7
467.23917	4.1
471.26849	4.1
479.26300	2.8
483.26474	4.3
487.26486	3.3
501.27759	5.0
503.33020	4.4
509.34161	3.0
541.33966	2.6
545.37238	2.5
547.25818	4.0
547.35657	3.2
555.35608	3.0
557.37616	3.5
561.37549	4.6
571.37659	2.7
573.37305	5.9
577.37378	3.8
581.36938	3.2
583.38794	4.4
585.36719	3.8
599.38928	14.2
601.40594	4.2
617.39246	14.1
671.47473	3.5
681.50214	3.9
689.49561	3.9
699.50897	6.1
709.49310	8.8
727.50751	32.0
745.51825	63.6
746.51715	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	745.4869
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88123	0.9
53.03923	4.6
55.01861	6.2
55.05260	1.8
55.05500	26.5
57.03175	1.4
57.03426	14.2
57.07061	7.1
61.02914	16.8
61.84038	0.9
65.03914	3.8
67.05489	73.4
69.03415	9.1
69.07053	26.4
71.01319	1.8
71.04982	7.6
71.08590	1.6
71.18510	1.0
71.18851	2.1
73.02898	8.3
75.07173	0.9
77.03905	2.0
79.05475	63.9
81.03406	7.9
81.07039	75.1
83.04943	4.0
83.08597	14.3
85.02886	14.8
85.06532	6.2
91.03958	7.4
91.05460	71.2
93.07022	75.3
94.07349	2.3
95.04957	10.9
95.08587	61.1
96.08878	1.1
97.02875	11.9
97.06522	6.8
97.07093	1.6
97.10150	5.0
99.04399	1.4
99.08066	3.1
101.02341	1.0
103.03896	1.3
103.05443	3.0
105.04484	2.2
105.07004	68.2
107.04916	3.2
107.08572	37.5
109.02845	1.8
109.06487	6.1
109.10133	22.9
111.08047	4.4
111.11780	1.2
113.09631	1.1
115.03890	1.2
115.05418	3.5
116.06223	1.8
117.06985	25.9
119.08553	65.8
120.08908	1.1
121.06445	2.2
121.10117	36.8
121.11020	1.9
123.08033	4.2
123.11682	4.8
125.09594	2.1
127.03880	3.0
128.06207	3.3
129.05423	3.4
129.06973	24.3
130.07779	2.5
131.08542	41.5
133.06441	1.1
133.10100	74.6
135.08018	4.2
135.10658	1.8
135.11658	21.5
137.09576	2.8
137.13182	1.3
139.11108	1.3
141.06952	4.5
142.07732	5.2
143.08525	22.0
144.09201	1.3
145.06430	1.9
145.10088	41.7
146.10408	1.9
147.07982	3.3
147.11652	52.9
149.09607	4.1
149.13243	9.3
151.07503	1.3
151.11159	1.5
154.07686	1.2
155.08498	8.4
156.09277	3.7
157.10100	31.9
159.07988	1.3
159.11652	25.0
161.09578	4.6
161.13223	13.0
163.11189	3.4
163.14761	3.7
165.06990	1.3
167.08531	4.1
168.09338	1.7
169.10068	13.0
171.07964	2.4
171.11649	31.3
172.12157	1.2
173.09615	1.5
173.13234	14.8
175.11163	3.1
175.14738	5.3
179.08589	1.1
181.10091	5.7
183.11633	11.4
185.09586	2.0
185.13220	14.8
187.11192	2.1
187.14778	10.1
189.12685	2.7
189.16348	8.7
193.10060	2.2
195.11652	4.6
197.13211	7.3
199.14824	6.5
201.12701	1.9
201.16368	5.2
203.14281	3.2
203.17947	12.0
208.08760	1.1
209.13219	3.5
211.11189	1.5
211.14828	6.1
213.12936	2.2
213.16348	43.1
214.16740	1.3
215.17891	7.5
217.15837	1.1
219.17226	1.2
221.13145	1.3
223.14737	3.2
225.12634	1.5
225.16345	4.0
227.14404	1.7
227.17943	4.2
229.15889	6.2
229.19455	1.8
231.17392	55.1
232.17734	1.4
233.18935	4.2
235.14748	2.5
237.16356	2.9
239.17860	3.3
241.19412	3.0
243.17448	1.4
243.20975	2.4
245.18874	1.7
247.17000	1.6
249.16234	1.7
251.17790	1.6
255.17296	2.2
257.18958	2.5
259.20557	5.3
261.22052	4.1
265.19537	1.9
267.17386	1.6
269.18930	2.3
273.18454	2.9
281.18854	1.3
281.22394	1.3
283.20450	1.5
287.19955	1.8
297.18677	1.4
297.22220	1.4
305.21069	17.9
307.22412	6.2
315.22928	1.2
317.24313	1.2
321.18420	2.0
325.25153	2.3
333.24258	5.5
335.25745	45.6
336.25955	1.2
337.27283	1.4
339.19366	2.4
339.23056	1.2
341.21057	1.3
341.24680	1.4
347.22205	2.4
357.20407	2.6
359.21930	1.2
375.21463	2.2
381.27423	1.1
393.22458	1.9
431.23950	1.8
447.30652	1.2
473.31900	1.1
473.37878	1.3
491.38602	8.3
501.35458	2.3
509.39731	2.2
513.36053	1.4
541.38342	1.5
565.42407	10.1
581.41986	2.6
583.43433	100.0
584.44025	6.7
595.42889	1.7
607.43207	1.9
625.43890	1.6
649.44421	1.8
661.44000	2.4
673.44373	3.6
691.45068	4.3
709.46417	4.5
727.47009	4.5
745.48529	11.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.4874
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	6.8
55.01867	5.6
55.05504	30.1
55.33746	0.9
57.03432	18.6
57.07057	4.6
58.57598	0.8
61.02916	12.0
65.03922	3.8
67.05497	83.4
68.35802	1.0
69.03417	7.3
69.06709	1.9
69.07063	23.1
69.42963	9.0
71.01335	1.5
71.04991	7.2
71.08622	1.6
73.02905	5.3
77.03925	2.2
78.43478	0.9
79.05486	92.0
80.05814	1.3
80.06243	1.1
81.03402	6.0
81.07050	78.3
83.04973	4.0
83.08609	15.0
84.08962	1.0
85.02892	10.6
85.06527	6.3
91.03957	4.2
91.05470	70.3
93.07034	100.0
93.69607	1.0
94.07366	1.4
95.04974	13.0
95.08597	56.7
96.08923	1.0
97.02880	8.6
97.06533	5.3
97.10159	4.7
99.04490	1.6
99.08074	5.9
101.02363	1.1
103.03945	1.2
103.05481	1.4
105.04501	1.4
105.07020	70.7
107.04923	2.2
107.08583	40.7
109.06519	5.1
109.10144	24.5
111.04464	1.2
111.08070	4.7
111.11633	1.1
115.03922	1.0
115.05432	2.2
116.06181	1.1
117.07005	27.3
119.08572	59.6
120.08829	1.1
121.06501	2.5
121.10128	48.6
123.08043	3.3
123.11675	7.4
125.09615	3.6
127.03918	2.3
128.06210	4.6
129.05453	3.0
129.06995	18.5
130.07751	1.7
131.08559	36.9
133.06470	2.1
133.09097	2.5
133.10118	52.0
135.08040	4.6
135.11671	27.6
137.09631	1.6
137.13271	2.2
139.11208	1.7
141.06961	3.3
142.07753	3.0
143.08545	15.9
144.09297	1.3
145.06474	2.3
145.10110	32.7
147.08015	3.0
147.11673	38.9
149.09592	4.0
149.13257	14.6
151.11218	2.2
155.08511	6.2
156.09262	2.0
157.10110	17.2
159.08017	2.1
159.11688	25.4
161.09636	3.3
161.13243	24.2
163.11168	3.5
163.14804	6.0
165.12729	1.5
167.08533	2.1
169.10115	6.6
171.07951	1.4
171.11687	18.7
173.09601	1.6
173.11815	1.0
173.13248	19.8
173.14670	2.1
175.11143	2.0
175.14792	12.8
177.12740	2.7
179.08449	1.6
181.10141	2.8
183.11687	7.7
185.13226	13.8
187.11130	1.1
187.14816	6.6
189.12737	2.4
189.16347	2.5
191.14282	1.4
191.18071	1.3
193.10133	2.0
195.11671	3.3
197.13252	4.2
199.14827	9.2
201.12756	1.5
201.16417	4.0
203.14244	2.4
203.17966	3.8
205.19623	1.5
207.11716	1.2
209.13219	3.0
210.33496	1.0
211.14857	3.4
213.12856	1.8
213.16365	12.8
215.17932	9.2
217.15805	1.6
217.19479	2.0
223.14873	3.3
225.16402	1.8
227.17944	1.5
229.15823	1.5
229.19594	1.3
231.17459	12.8
231.21002	4.9
233.18909	5.5
239.17976	2.5
241.19525	23.9
243.21103	3.6
247.14760	1.2
251.20059	1.2
257.18985	7.5
259.20544	43.7
261.22147	3.8
265.19254	1.2
269.18973	2.1
271.20523	1.7
273.18408	1.2
275.20032	1.3
289.21783	1.1
295.20258	1.1
297.22113	1.5
301.21524	3.1
305.21100	6.0
307.22647	79.0
308.23050	2.8
309.24326	2.8
311.23773	1.7
315.23087	3.8
325.21472	1.4
325.24936	1.2
331.22845	2.2
333.24216	32.8
335.25754	11.6
343.22574	2.0
349.21487	2.3
351.25244	3.2
353.28409	1.4
357.24191	1.5
359.22006	1.0
367.22589	3.9
375.25391	2.9
385.23685	1.9
403.24600	1.1
427.43665	1.2
441.25949	1.8
459.27231	1.5
473.37799	1.6
491.38980	6.6
509.39716	2.0
513.35748	2.9
565.42505	9.9
573.48315	2.4
576.79779	1.2
581.41333	3.4
583.43536	87.0
584.44116	6.1
595.43250	2.3
607.43378	2.8
649.44000	2.9
661.44183	1.6
673.44769	6.7
691.45392	3.9
709.46552	4.8
727.47400	4.3
745.48987	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	745.4872
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	5.8
55.01859	3.9
55.05505	30.3
57.03434	15.9
57.07064	6.1
61.02919	11.5
65.03936	3.4
67.05497	85.3
68.17125	0.9
69.03426	8.2
69.07061	22.1
69.10281	0.9
69.10749	1.0
69.40189	9.5
71.01356	1.4
71.04980	5.6
71.08617	1.8
73.02905	5.7
77.03915	1.6
79.05482	93.9
80.05796	1.2
81.03416	5.2
81.07046	73.6
82.07394	2.1
83.04961	4.6
83.08603	11.9
84.08914	0.9
85.02903	11.5
85.06518	5.3
87.04473	1.2
91.03951	5.3
91.05470	75.8
93.07032	100.0
95.04960	14.5
95.08595	57.8
96.08904	1.3
97.02888	7.3
97.06516	5.9
97.10165	4.3
99.04462	1.1
99.08086	5.5
101.02354	1.6
103.03966	1.3
103.05457	2.0
105.04527	2.2
105.07018	64.6
107.04963	3.4
107.08579	41.1
109.02827	1.0
109.06482	5.2
109.10142	22.7
111.04424	1.0
111.08083	3.1
113.09613	2.1
115.05449	3.0
117.07007	21.6
119.08571	57.6
120.08906	1.0
120.24681	0.8
121.06507	3.1
121.10126	51.4
122.10528	1.3
123.08060	4.2
123.11681	8.7
125.09602	2.4
127.03893	1.7
128.06210	3.2
129.05507	1.8
129.06998	14.1
130.07762	1.8
131.08556	36.0
133.06549	1.0
133.10114	50.2
134.10428	1.6
135.08066	3.9
135.11681	25.7
135.12697	1.7
137.05861	0.9
137.09572	3.0
137.13206	1.3
139.11177	1.5
141.06982	4.5
142.07755	2.2
143.08540	17.7
144.19087	1.0
145.04929	0.9
145.06436	2.0
145.10103	33.5
147.04448	1.8
147.07976	1.9
147.11664	36.2
149.09584	3.4
149.13235	16.1
151.11177	2.4
155.08539	6.9
157.10109	16.0
159.08134	1.0
159.11673	26.6
161.09627	3.4
161.13237	27.5
163.11166	3.4
163.13435	0.9
163.14786	4.1
165.12683	1.6
167.08540	2.8
169.10107	8.2
170.10892	0.9
171.07985	1.4
171.11661	19.1
173.09605	1.4
173.13254	20.5
175.11110	2.6
175.14810	12.5
177.12724	2.6
177.16411	1.1
179.08572	1.0
181.10100	3.2
183.08032	0.9
183.11671	8.1
184.07329	2.4
185.13199	13.5
187.11203	2.2
187.14792	9.1
189.12729	2.2
189.16399	3.7
191.14320	1.0
191.18031	1.0
195.11690	3.3
197.09702	1.5
197.13246	5.7
199.11255	1.3
199.14812	7.2
201.12691	1.2
201.16373	2.7
203.14339	1.4
203.17914	3.3
207.11600	1.2
209.09573	1.3
209.13274	3.3
211.14735	4.8
213.16376	10.7
215.17975	10.2
217.15919	1.6
217.19650	1.3
223.14853	2.1
225.16299	2.1
227.18039	2.1
229.15878	2.8
229.19452	2.3
231.17416	10.2
231.20964	4.2
233.19003	5.0
235.20471	1.3
239.17924	2.9
241.19493	20.2
243.17383	1.1
243.21101	1.7
251.17917	1.4
255.17351	1.2
255.20975	1.2
257.19031	4.9
259.20554	40.7
260.20825	1.9
261.22162	3.9
271.20346	1.9
273.22137	2.0
275.20129	1.6
277.21680	2.7
283.20514	2.1
285.18451	1.0
285.22241	1.6
289.21573	1.9
299.20084	1.3
299.23453	1.0
301.21524	4.8
305.21048	5.1
307.22647	76.1
308.23038	2.9
309.24396	2.2
313.21661	1.6
315.23196	2.5
319.22549	1.1
321.22037	1.0
325.21609	2.1
327.23190	1.1
333.24191	35.5
335.25781	9.3
339.23172	1.8
343.22711	1.1
349.21210	1.8
351.25540	3.5
367.22577	5.4
375.25085	1.2
385.23624	3.0
403.24680	2.3
441.26190	1.8
459.27652	1.9
475.34418	1.0
491.38867	5.2
501.36005	1.5
509.39703	1.8
513.35602	1.8
565.42517	12.0
573.48352	3.7
581.42004	3.7
583.43475	85.0
584.43683	5.7
593.42297	1.3
595.43286	2.5
607.43134	2.4
649.44165	2.1
661.44348	1.8
673.44818	5.2
691.45508	4.5
709.46582	4.7
727.47235	4.4
745.48944	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	743.4718
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	11.8
55.01852	9.0
55.05503	36.1
57.03427	25.3
57.07056	8.9
60.71019	2.2
61.02902	8.3
63.10789	2.2
65.03919	4.6
67.05497	100.0
69.03430	20.9
69.07058	35.1
71.04965	9.3
71.63696	3.8
73.02900	4.9
76.02998	2.1
76.30682	2.2
77.03870	2.9
79.05481	86.5
81.03409	39.4
81.07043	91.5
82.07383	3.4
83.04961	15.4
83.08595	18.0
85.02896	17.8
85.06528	6.5
85.10133	2.0
86.09693	5.6
91.03954	3.4
91.05463	91.5
93.07036	92.1
94.07349	3.4
95.04962	21.8
95.08594	67.6
96.08919	3.3
97.02877	19.8
97.06519	12.3
97.10151	7.7
99.04430	5.8
99.08068	6.3
101.02393	3.1
103.05431	3.9
105.07010	59.2
105.23455	2.3
107.04942	8.9
107.08583	40.6
109.02859	7.5
109.06519	11.2
109.10146	26.8
111.04426	2.2
111.08064	8.9
115.05420	6.2
116.06213	2.6
117.07008	41.5
119.08562	45.2
121.06479	6.9
121.10136	38.5
123.08044	5.4
123.11663	7.8
124.99953	3.3
127.03896	10.0
128.06190	7.9
128.51747	2.5
129.05444	6.3
129.06990	28.6
130.07867	4.3
131.08551	54.0
133.06436	5.7
133.10107	38.5
135.08035	10.8
135.11671	25.8
137.09572	4.5
141.06973	16.2
142.07733	4.3
143.08534	22.3
145.06474	5.5
145.10100	63.5
146.10481	3.0
147.08025	5.3
147.11682	23.0
148.01700	2.4
149.09612	8.8
149.13232	10.1
151.07584	2.4
151.11096	2.9
154.07741	4.7
155.08516	15.1
156.09221	3.8
157.10114	23.3
159.07994	4.6
159.11655	22.6
161.09535	5.1
161.13246	10.8
163.11166	14.6
163.14807	3.2
164.11522	5.3
165.06932	2.6
165.09013	3.0
167.08582	9.4
168.17509	2.2
169.10112	21.1
171.11659	15.5
173.04434	8.7
173.09581	7.1
173.13197	20.5
175.11166	4.8
177.12686	3.6
181.10091	11.0
181.12219	3.0
182.10826	4.9
183.08006	2.5
183.11652	14.9
184.07324	17.8
185.07849	4.0
185.09612	2.9
185.13243	13.2
187.11162	6.4
187.14780	9.2
189.12764	3.1
191.14325	3.2
193.10179	3.6
195.11667	6.4
197.13260	10.7
199.14726	7.6
201.12712	6.5
201.16356	10.9
207.11624	3.4
209.13274	4.8
211.11250	3.1
211.14778	20.1
213.16338	4.8
215.17795	4.0
221.13258	3.1
223.14775	4.6
225.16315	5.4
227.12729	9.3
228.13112	3.0
229.15837	49.6
231.17332	5.1
239.17986	2.9
247.16884	9.3
249.12675	2.4
253.15599	3.6
257.18900	2.7
261.22150	4.7
271.16965	5.7
275.19962	6.5
283.15302	17.4
284.15723	7.5
303.19485	6.5
307.22620	9.5
321.20557	9.2
327.19501	2.4
335.25797	47.7
337.17661	2.5
337.27325	6.7
338.27744	10.1
353.11511	2.3
391.21188	2.9
525.38892	3.5
545.38098	7.9
546.38519	17.1
563.40759	2.7
571.47119	28.9
581.41931	62.2
623.42542	5.0
645.39636	3.4
689.44141	3.6
707.44446	7.4
725.45721	9.1
743.46960	23.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.4717
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03867	1.0
53.04087	0.5
55.01776	1.4
55.05410	6.1
55.05703	1.4
57.03328	4.2
57.03644	1.0
57.06968	1.2
61.02816	10.9
61.03172	2.2
65.03827	1.3
65.04154	0.7
67.05391	16.1
67.05789	2.8
69.03313	5.6
69.03718	0.8
69.06952	7.4
69.07355	1.0
70.14984	1.3
70.15398	1.0
71.01276	0.8
71.04881	1.6
71.08545	0.7
72.08153	0.4
73.02798	6.3
73.03236	0.9
78.72548	0.3
79.05367	11.1
81.03291	4.3
81.06927	15.3
81.07458	1.7
83.01202	0.5
83.04853	1.9
83.08489	4.1
85.02772	11.1
85.03345	1.2
85.06405	1.8
87.04334	0.7
91.03819	6.2
91.05342	11.4
91.05970	1.1
93.06909	12.3
93.07535	1.1
95.04829	2.4
95.08468	13.8
95.09139	1.1
97.02754	8.4
97.03423	0.7
97.06397	2.1
97.10123	2.1
98.20880	0.7
99.04350	0.8
99.07948	1.1
101.02243	1.6
103.03817	0.6
105.06882	10.0
107.04869	0.9
107.08443	8.5
109.02730	1.1
109.06365	1.3
109.10001	5.9
111.07961	0.9
115.03809	0.8
115.05301	0.8
117.06992	6.6
119.08566	11.1
121.06419	0.5
121.10126	6.1
123.07938	1.0
123.11526	1.3
125.09508	0.9
127.03916	2.3
128.06158	1.9
129.05444	0.5
129.06990	7.8
130.07582	0.5
131.08551	8.8
133.10097	7.2
135.07928	0.9
135.11667	3.9
137.09499	0.8
137.13133	0.6
141.06950	4.0
142.07709	2.1
143.08545	8.2
145.04852	0.9
145.10098	9.8
147.07918	0.4
147.11668	5.1
149.09512	0.9
149.13071	1.5
149.14169	0.5
151.10962	0.7
153.06839	1.1
154.07602	1.0
155.08516	7.0
156.09161	1.4
157.10101	8.9
158.10648	0.5
159.11678	7.0
161.13171	2.7
163.11012	0.8
163.14674	1.1
165.06812	1.1
166.07645	0.5
167.08554	3.9
168.09143	1.5
169.10106	8.8
170.10680	0.7
171.11649	8.3
172.12228	0.5
173.13232	4.8
175.14810	2.2
177.12547	0.5
177.16220	0.7
179.08511	2.2
180.09108	0.6
181.10089	5.4
182.10663	1.1
183.11656	8.9
184.12210	0.6
185.09377	0.4
185.13213	6.4
187.11031	0.9
187.14737	2.5
189.12680	0.5
189.16220	1.2
191.14146	0.4
192.09169	0.4
193.10150	2.5
193.11700	0.7
194.10837	0.6
195.11665	6.8
196.12337	1.1
197.13206	7.1
199.11101	0.8
199.14795	4.5
201.12550	0.7
201.16194	1.4
203.17914	0.5
205.09944	1.1
206.10863	0.5
207.11658	2.8
209.13235	6.4
210.13852	0.5
211.10895	0.4
211.14792	4.9
213.14503	0.4
213.16429	3.3
215.17851	0.8
219.11520	1.5
221.13290	3.0
221.15192	0.7
222.13893	0.5
223.14767	4.4
225.12563	0.7
225.16356	3.8
227.18037	2.0
233.13191	0.7
235.14725	2.4
237.16316	3.4
239.14232	0.6
239.17961	2.3
241.15746	0.6
241.19525	0.7
243.17308	0.5
247.14616	1.3
249.16347	2.0
251.14076	0.4
251.17813	1.6
253.19351	1.4
257.19092	0.5
261.16193	0.7
263.17776	1.4
265.19257	1.3
267.20981	0.8
269.15359	0.5
271.20282	0.4
277.19379	1.1
279.20917	0.9
281.18689	0.5
283.20230	0.7
285.16699	0.8
285.28082	0.4
286.16873	0.5
289.19257	0.7
291.17349	0.4
291.20923	0.7
309.18671	0.5
309.21909	0.6
311.98630	0.5
313.21613	0.5
319.24100	0.6
323.23499	1.1
327.23224	0.6
335.22980	0.7
335.26233	0.6
336.26028	1.8
337.25067	1.0
339.23282	0.8
341.24692	0.5
349.25067	1.2
351.22964	1.0
363.26712	0.8
365.28403	0.6
367.26178	0.7
377.28250	1.2
381.27786	0.7
389.28311	0.5
391.25546	0.5
391.29971	0.7
393.27844	0.6
401.28134	0.6
405.27026	0.5
407.29440	0.6
409.30621	0.5
415.29135	0.5
419.29211	1.1
431.28711	0.4
447.31659	0.6
459.30881	0.5
471.36343	1.1
473.32678	0.4
483.34430	0.6
487.34363	0.7
488.05405	0.5
489.37155	6.8
493.32764	0.6
497.32193	0.8
499.34085	0.7
501.35419	0.5
507.38501	2.5
511.34296	1.7
512.35181	0.6
513.35742	1.6
545.39178	1.1
546.38800	2.4
563.40857	6.7
564.41577	0.5
571.47168	1.2
579.40259	2.7
581.41925	100.0
582.42310	4.3
583.43567	1.1
593.41980	0.7
597.40094	0.5
605.41943	1.0
623.42944	0.7
671.43042	0.5
689.43903	0.9
707.44946	1.6
725.46002	2.2
743.47150	20.9
744.47089	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.4725
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	4.3
55.01859	3.4
55.05502	21.0
57.03434	15.0
57.07053	2.8
61.02924	3.2
65.03926	2.5
67.05493	53.8
69.03421	4.1
69.07058	13.4
71.04975	5.4
71.63590	1.4
71.64009	1.8
73.02878	1.8
75.30220	1.3
77.27919	1.3
79.05481	40.1
81.03403	52.4
81.07046	48.1
83.04965	12.6
83.08138	1.9
83.08611	23.7
85.02884	21.5
85.06547	2.4
89.05973	1.7
91.03114	1.2
91.03967	1.6
91.05468	37.2
93.07029	39.4
95.04960	23.0
95.08591	38.5
97.02895	5.5
97.06509	5.0
97.09106	1.6
97.10152	4.4
99.08071	2.4
105.07008	30.4
105.50931	1.3
107.04939	4.0
107.08574	19.0
109.06500	4.9
109.10135	11.7
111.04420	4.1
111.08060	11.3
113.05997	2.9
115.05412	1.8
117.06993	5.4
119.08565	22.1
121.06520	1.8
121.10124	20.5
123.11688	4.6
125.09615	1.5
129.06989	11.0
131.08548	12.2
133.06490	2.6
133.10100	16.5
135.08055	2.1
135.11682	10.1
137.09566	3.4
145.10092	5.4
145.38474	1.7
147.08031	3.2
147.11662	17.6
149.09605	6.4
149.13223	4.0
157.10098	10.4
159.11644	3.5
161.13261	2.8
163.11116	1.7
163.14796	2.0
165.12756	3.2
173.13200	3.5
175.11139	13.8
175.14821	1.5
177.16385	1.6
184.07292	3.1
193.12213	44.4
193.75694	1.5
211.13252	67.4
211.67714	1.7
227.20026	4.1
243.21028	3.3
261.22076	9.7
267.15869	14.4
269.17651	1.7
283.15353	2.4
285.16919	84.1
309.24170	3.8
313.16617	2.1
317.24756	2.6
335.25751	70.2
336.26144	1.6
435.32446	1.6
453.33707	2.3
527.37256	11.5
545.38293	100.0
546.38306	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	742.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.3
55.01870	1.9
55.05487	0.6
57.03432	1.7
61.02914	1.2
61.21792	0.3
62.62205	0.3
65.03931	0.4
67.01859	0.4
67.05508	1.7
67.92313	0.3
68.99770	0.9
69.03068	0.6
69.03424	9.8
69.07050	0.5
70.06594	1.9
71.01343	0.7
71.04975	1.3
71.47321	0.4
71.47637	0.3
72.08134	0.8
73.02903	1.4
79.05492	2.1
81.03412	10.4
81.07048	0.9
81.84018	0.3
83.01342	0.6
83.04971	2.1
84.08129	1.0
85.02898	23.1
86.03242	0.4
86.09695	1.5
87.00821	8.7
87.01336	0.7
87.04450	0.4
91.03954	0.3
91.05470	0.4
93.07029	0.7
95.04956	2.3
95.08596	0.8
97.02883	11.2
97.03506	0.6
97.06513	0.4
99.04450	3.5
101.02375	0.4
101.09681	0.3
103.03931	1.7
105.01854	10.0
105.07007	0.4
107.04945	100.0
108.05283	1.5
109.02871	17.1
109.06490	0.4
111.04430	2.7
113.02362	0.7
117.01873	0.5
119.04934	0.5
120.08089	0.4
121.06548	0.5
123.04420	2.5
123.89262	0.3
125.02332	1.6
127.03904	25.9
128.04291	0.5
129.01866	1.7
129.05481	0.4
135.04442	0.4
137.06004	0.5
139.03920	1.2
141.05429	0.6
145.04953	4.1
147.02872	0.6
147.04367	0.5
151.03879	2.5
159.02892	2.6
161.05966	0.6
165.05495	0.8
169.04958	4.5
171.02890	1.3
183.31415	0.4
187.06021	2.4
189.03935	5.4
189.05473	0.8
193.04935	1.9
195.02937	0.7
211.06041	1.0
213.03923	5.1
217.05052	0.6
219.04900	0.3
229.07059	0.5
231.04980	8.6
232.05391	0.3
233.06529	1.2
234.50453	0.3
235.06006	1.2
247.04391	0.4
249.06044	3.2
253.07130	1.3
255.05028	1.2
273.06033	19.0
274.06390	0.5
283.14923	0.4
297.06128	1.1
315.07196	2.2
321.06091	0.6
333.08133	1.2
339.07050	3.6
339.10599	0.4
355.10114	0.6
357.08060	3.6
375.09143	0.6
425.07205	0.7
443.08139	3.2
461.02747	0.6
461.09171	7.1
462.09647	0.5
479.10324	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	742.4722
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	3.2
55.01850	3.3
55.05501	20.2
55.71843	0.7
57.03177	1.1
57.03430	15.9
57.07055	1.9
59.04969	0.9
60.97564	0.7
61.02929	3.7
65.03915	2.5
67.05494	55.5
69.03416	4.9
69.07057	16.1
69.50565	1.2
69.50965	5.7
71.04992	4.8
73.02886	2.5
79.05480	37.4
80.06242	0.8
81.03406	53.7
81.07043	53.4
83.04965	16.4
83.08128	1.3
83.08606	24.3
83.09100	1.3
85.02895	25.6
85.06519	2.5
86.09689	3.8
87.04439	0.9
91.03920	1.9
91.05464	34.2
93.07028	41.1
95.04951	22.0
95.08594	34.3
97.02884	6.1
97.06514	6.6
97.10162	4.0
98.21451	1.7
99.04462	1.2
99.08043	1.8
105.07014	27.3
107.04951	6.3
107.08584	22.8
109.06508	4.6
109.10143	11.2
111.04416	2.1
111.08071	11.5
113.05994	1.8
115.05448	1.6
117.06981	5.4
119.08562	23.0
121.06463	2.1
121.10122	19.4
123.08024	2.2
123.11684	4.5
124.99968	1.9
125.09573	2.3
129.06984	9.9
131.08537	14.2
133.06485	2.3
133.10112	15.6
135.11662	9.3
137.09604	2.1
137.13271	1.4
140.64384	0.7
142.07780	2.8
143.08630	1.2
145.10104	6.6
147.08031	2.5
147.11658	15.1
147.12776	1.3
149.09607	6.5
149.13251	4.9
151.11209	1.8
151.14861	0.8
157.10106	14.5
159.11668	3.0
160.52914	0.7
161.13260	2.4
163.11154	1.4
163.14819	2.1
165.12730	3.1
171.11711	1.2
173.13229	4.0
175.11139	12.8
175.14812	1.7
183.11569	0.9
184.07301	10.6
185.13206	1.1
186.58609	0.7
187.14816	1.5
193.12215	39.9
199.14700	0.9
201.16431	1.3
211.13251	66.0
227.12660	1.0
243.21115	2.2
249.14905	0.9
261.22083	7.9
267.15884	15.5
285.16919	77.4
286.17456	1.3
301.24939	0.9
307.22794	1.7
313.16415	1.1
317.24811	1.3
335.25745	70.2
336.26044	1.7
435.32678	2.4
453.33380	0.9
471.34467	1.7
509.36508	1.4
514.77191	0.8
527.37244	13.0
539.25122	0.9
545.38293	100.0
546.38678	3.7
563.39923	1.2
571.47400	1.2
581.41888	1.6
746.57910	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4562
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03910	1.7
55.01863	2.8
55.02062	0.6
55.05505	9.8
55.39964	0.5
57.03424	7.4
57.07034	1.4
61.02874	0.8
65.03889	1.8
67.05493	36.3
68.05754	0.6
69.03374	1.6
69.07056	11.6
71.04941	2.0
71.08577	0.7
71.60971	1.0
73.02859	1.1
78.05155	0.5
79.05479	30.0
81.03376	1.8
81.07042	35.0
83.04972	3.0
83.08603	8.0
85.02865	1.3
85.06478	1.1
87.07971	0.5
91.05466	12.9
93.07027	37.7
94.07307	0.8
95.04959	5.7
95.08588	40.9
95.96114	0.6
97.02825	2.1
97.06512	3.3
97.10130	1.4
99.04443	3.1
105.07011	9.6
107.04941	4.9
107.08576	25.0
109.06461	2.0
109.10127	10.9
111.04387	1.2
111.08051	1.2
117.06328	0.6
117.06993	6.6
119.07807	0.7
119.08562	11.1
121.06494	3.7
121.10121	16.3
121.10995	1.0
123.08017	1.1
123.11669	2.8
125.05967	1.6
125.59719	0.6
130.07719	0.9
131.08525	4.6
133.10107	4.3
135.07986	1.8
135.11671	36.6
136.11935	0.8
137.09552	0.8
137.13132	0.7
139.07509	0.9
143.08524	1.0
145.10098	21.1
145.11258	1.3
146.10406	0.6
147.11613	2.2
149.09633	0.7
149.13174	2.7
151.11093	0.9
153.12651	1.1
159.11693	2.8
161.13211	1.8
163.11151	42.5
163.14784	1.6
164.11612	0.7
173.09628	1.1
173.13210	2.0
175.14728	1.2
181.12180	6.7
187.14600	1.0
191.75471	0.6
195.49614	0.7
201.16318	0.8
209.11635	0.6
227.12740	50.0
228.13054	1.1
243.21060	1.9
261.22086	6.4
283.15350	56.4
284.15735	1.0
317.24612	1.4
335.25739	100.0
336.26068	3.6
353.15820	0.8
465.47888	0.6
493.92905	0.7
543.36713	91.5
544.37311	5.9
599.50348	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	740.4561
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22114	0.5
52.72901	0.5
53.03907	2.2
55.01835	1.7
55.05502	12.1
55.05748	0.7
57.03428	7.3
57.07021	1.8
59.92508	0.5
61.02872	2.0
65.03907	1.3
67.05495	36.5
67.05841	1.5
68.05795	0.7
69.03391	1.4
69.07057	11.1
70.63866	2.1
71.04935	2.5
71.08580	0.6
73.02868	1.3
79.05482	31.0
80.05797	0.6
81.03369	1.5
81.07046	38.8
83.04992	3.6
83.08611	8.8
85.02853	1.7
85.06474	0.9
91.05464	14.5
93.07031	43.6
94.07327	1.2
95.04955	7.2
95.08594	48.5
96.08911	0.8
97.02885	3.4
97.06514	4.0
97.10117	1.6
98.21358	0.7
99.04453	3.8
102.26443	0.5
103.05435	0.7
105.04462	0.6
105.06398	0.7
105.07018	10.9
107.04939	7.8
107.08578	31.6
109.06451	1.8
109.10139	9.1
111.04383	1.7
111.08036	1.2
117.07004	8.7
119.07783	0.7
119.08569	12.2
121.06499	4.2
121.10126	17.6
122.10423	0.6
123.08040	0.7
123.11701	2.9
125.05923	2.1
127.07496	0.9
130.07689	1.3
131.08565	4.3
131.91629	0.7
133.10114	6.9
135.07976	2.0
135.11671	49.9
137.09540	0.6
137.13277	0.8
139.07462	1.5
145.10103	28.0
145.11266	1.4
146.10425	0.6
147.11598	2.2
149.13170	2.3
153.12692	0.6
159.11633	1.7
161.13170	1.3
163.11156	52.9
163.14748	1.5
164.11461	1.4
173.09468	0.7
173.13194	1.9
181.12218	9.2
194.53662	0.6
209.11710	1.7
227.12747	66.1
228.13112	1.8
243.21022	2.8
261.22104	7.8
283.15350	100.0
284.15744	3.6
306.27725	0.8
317.24695	2.2
335.25751	82.4
336.26074	4.2
455.91425	0.6
543.36749	79.8
544.37109	6.6
561.37518	1.0
599.50305	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	737.4071
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	1.3
57.03426	2.0
57.07062	0.8
61.02908	5.9
61.63979	0.6
65.03925	0.7
66.54025	0.6
67.05487	4.1
69.03421	3.6
69.07051	1.7
71.01331	0.6
71.04980	0.7
71.60758	0.9
73.02901	3.9
74.74776	0.7
74.87042	0.6
77.20009	0.6
79.05488	5.4
81.03402	3.6
81.07038	4.2
82.13220	0.7
83.08610	0.9
85.02896	5.2
86.09695	0.9
87.04407	0.7
88.02039	0.6
91.03946	3.2
91.05470	2.7
93.07027	6.6
95.04958	0.9
95.08542	3.5
95.39120	0.6
97.02872	5.0
97.06543	0.7
99.04417	1.4
101.02363	1.6
105.07006	1.7
105.08865	0.7
107.08589	1.5
109.02860	0.7
109.10146	1.4
110.36650	0.6
118.77277	0.6
119.08603	0.8
121.10144	4.1
125.77557	0.6
127.03901	2.5
129.05441	0.7
133.10110	1.7
135.11679	0.9
139.11159	0.6
145.10091	0.8
147.11632	0.9
157.56050	0.6
159.11713	0.8
162.21196	0.7
176.67642	0.6
243.08437	2.4
251.12727	0.7
267.34421	0.8
269.13544	1.8
307.22729	1.7
337.11923	0.6
443.18890	3.5
469.20648	1.6
487.21442	1.7
491.26059	11.4
693.38171	2.0
719.38446	1.5
737.40656	100.0
738.41327	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	739.2217
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	0.2
63.02362	0.4
65.17549	0.2
67.05477	0.4
69.03421	0.4
70.06577	0.6
70.60535	0.8
79.05476	0.4
81.03400	0.7
81.07047	0.4
85.02895	0.2
86.09705	0.4
89.03898	6.1
91.05478	0.7
93.07019	0.3
95.04948	0.5
103.05439	1.3
104.06241	0.3
105.07012	1.1
106.04148	0.4
107.04952	0.4
111.08035	0.2
115.05436	0.4
117.03352	16.8
118.04089	0.3
119.04955	0.3
120.08020	0.3
121.06461	0.3
126.05606	0.2
131.04922	3.2
132.05681	4.2
133.02776	0.3
133.06441	0.9
133.10057	0.5
134.03627	1.6
135.04364	1.5
145.02818	44.3
146.03162	0.5
147.04350	0.4
148.05173	0.6
149.05954	6.2
158.05960	0.6
160.05148	1.7
161.05931	1.8
162.03029	0.3
163.03897	0.6
163.07513	0.7
166.27855	0.2
171.04390	0.4
177.05432	100.0
178.05766	0.9
179.06978	0.2
180.07715	0.3
186.05492	2.7
189.83434	0.2
191.06998	4.8
192.07774	13.0
193.08545	1.3
193.12187	0.4
207.06421	0.3
245.05756	0.2
246.24106	0.5
267.15826	0.7
299.14822	0.4
300.15121	0.3
353.10141	2.0
357.15213	0.2
371.11258	0.4
491.26401	0.6
492.26404	0.5
577.33313	0.2
581.33594	0.2
610.15613	0.2
739.39166	0.2
746.60132	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	736.4978
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	3.2
55.01857	1.2
55.05257	1.1
55.05503	14.7
57.03431	10.6
57.07059	3.3
61.02904	3.1
65.03912	2.2
67.05492	55.4
69.03416	0.9
69.07056	10.9
69.38938	7.6
71.04958	2.9
71.08607	0.9
73.02884	1.2
74.09697	2.9
79.05478	47.2
80.34466	1.0
81.07043	43.6
82.07352	0.9
83.04960	3.5
83.08598	7.7
83.97060	0.9
85.02870	3.6
85.06529	3.1
91.03917	1.1
91.05466	23.7
93.07029	55.8
95.04958	6.4
95.08591	34.4
97.02881	2.1
97.06503	3.4
97.10135	2.5
99.08051	3.0
105.07012	19.4
107.08575	20.0
109.06504	1.8
109.10135	16.5
111.08052	2.6
117.06995	8.3
119.08560	14.6
121.10126	28.2
123.08038	1.9
123.11699	7.5
129.06961	2.8
131.08554	12.9
133.10117	19.3
135.08099	1.4
135.11676	20.4
137.09541	1.1
137.13214	2.3
139.11130	0.9
143.08508	2.1
145.10080	10.2
147.11656	13.2
149.09610	1.6
149.13257	9.2
151.11064	1.1
157.10112	2.7
159.11678	9.6
161.13228	4.3
163.11145	1.7
163.14781	1.2
169.10051	1.4
171.11644	3.6
173.13213	7.1
175.14818	2.6
177.12682	1.0
183.11623	0.9
185.13184	1.7
187.14790	1.9
189.16344	3.0
199.14848	1.2
201.16467	1.3
203.17947	1.4
205.19473	1.9
213.16341	5.7
214.90341	0.9
215.17940	21.6
217.19556	2.3
231.17403	7.0
233.18968	16.9
234.19289	1.0
235.96147	0.9
239.17970	1.0
271.20453	1.1
304.26141	2.4
305.21146	5.0
307.22629	100.0
308.22916	2.8
309.24228	8.0
325.24045	1.2
331.10818	0.9
341.24808	1.0
447.35999	1.2
465.37372	1.8
539.40924	11.5
557.41962	9.7
558.41925	1.2
610.65784	1.0
736.60419	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	736.498
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83310	1.0
53.03930	3.3
55.01859	3.2
55.05508	19.5
57.03426	7.4
57.07074	6.6
62.69676	1.1
65.03926	3.3
67.05496	80.4
69.03422	9.7
69.07061	16.7
70.05088	6.4
71.01345	1.2
71.04987	7.9
71.08627	1.7
73.02903	1.5
74.09683	2.9
79.05482	88.7
79.82176	1.1
81.03419	12.3
81.07047	85.1
83.04962	5.7
83.08604	11.4
85.02894	11.2
85.06538	8.3
87.04394	1.3
91.05472	48.7
93.07030	100.0
95.04961	11.9
95.08595	54.3
96.91225	1.2
97.02898	7.0
97.06528	7.3
97.10153	3.7
99.04441	2.9
99.08075	8.9
103.03954	2.9
105.04530	1.5
105.07024	39.9
107.01428	1.2
107.04953	3.3
107.08580	46.2
108.04445	1.3
109.02880	3.4
109.06498	4.9
109.10144	29.5
111.04425	3.7
111.08060	5.2
111.11719	1.7
113.09617	3.9
115.05435	1.7
117.07005	20.2
119.08562	34.8
121.06487	2.9
121.10128	54.6
123.04387	1.6
123.08032	3.9
123.11696	20.8
125.09614	4.3
127.03905	3.4
129.05527	1.6
129.06960	9.0
130.07834	1.6
131.08548	34.6
133.06465	4.0
133.10110	36.8
135.07988	4.2
135.11676	54.8
137.09616	6.5
137.13245	4.1
139.11133	2.8
141.06944	3.6
143.08537	8.4
144.09233	1.1
145.04987	2.0
145.06465	1.6
145.10100	32.4
147.08000	2.6
147.11662	24.8
149.09644	7.3
149.13245	29.5
151.11188	6.1
153.12859	1.2
155.08563	3.8
157.10120	9.1
159.11684	29.6
161.09608	2.9
161.13213	8.4
163.11137	5.6
165.09096	3.2
167.08525	3.2
169.10095	5.5
171.07971	1.5
171.11681	8.5
173.09459	1.5
173.11755	1.5
173.13245	28.2
175.11189	3.8
175.14835	2.8
177.12752	6.9
179.10587	1.9
181.10136	2.4
181.12125	1.5
183.11758	4.3
185.09692	2.5
185.13232	3.9
185.35226	1.2
187.11182	2.6
187.14764	7.6
189.12679	2.5
189.16360	3.1
191.14278	2.0
191.17906	1.8
197.13193	2.5
199.11159	2.7
201.12741	3.7
205.19469	9.7
207.11783	1.3
209.13348	1.8
213.12627	1.5
213.16371	5.2
215.17924	75.4
225.11053	1.8
227.17935	2.9
229.12308	2.0
231.14009	1.4
231.17488	6.8
233.18980	82.3
243.17445	2.0
245.18958	1.5
247.13315	1.8
249.18448	4.5
251.20047	5.6
255.17532	2.5
257.19016	2.8
259.16904	1.5
261.14822	1.2
261.18497	2.0
263.20053	2.1
269.18918	1.5
273.18387	1.7
275.19995	3.8
287.19928	2.6
291.19562	1.8
299.20120	2.6
304.26514	2.0
307.22617	19.6
313.21655	3.4
317.21017	2.3
323.20047	4.5
325.23654	20.5
341.21082	14.1
359.21957	9.9
377.23099	14.3
395.24341	8.7
701.46021	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	736.4972
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.5
55.01852	4.0
55.05505	20.1
55.92826	1.7
57.03422	7.5
57.07061	5.2
60.33273	1.4
65.03928	2.5
67.05492	72.1
69.03419	10.5
69.07053	15.3
70.76591	3.6
70.76943	2.0
71.04993	5.5
71.08614	2.1
73.02905	2.1
74.09696	3.6
77.03931	2.1
79.05476	89.5
79.12662	1.5
81.03402	14.2
81.07039	76.4
83.04971	4.9
83.08608	12.5
85.02877	12.1
85.06533	9.4
87.04449	1.9
91.05460	51.8
93.07026	100.0
95.04940	13.9
95.08585	55.1
97.02864	8.2
97.06490	7.8
97.10130	3.6
99.04446	3.4
99.08092	10.9
101.06026	1.6
105.04495	1.9
105.07011	44.8
107.04914	3.7
107.08574	45.8
108.04522	1.4
109.02885	4.6
109.06508	6.0
109.10133	29.2
111.04427	2.9
111.08055	4.9
113.09621	3.9
115.03968	1.9
117.07000	20.0
119.08553	36.2
121.06517	3.8
121.10122	71.1
121.26507	1.6
123.08051	5.0
123.11687	17.8
125.09596	3.9
127.03893	4.3
128.06261	2.0
129.06989	8.5
129.42073	1.5
130.07803	2.5
131.08545	37.6
133.06450	2.6
133.10104	39.3
135.08055	5.1
135.11662	55.7
135.12692	2.9
137.09587	7.0
137.13202	3.1
139.11189	2.3
141.06993	3.5
143.08537	7.3
145.05038	2.2
145.06482	2.0
145.10094	34.8
146.77170	1.5
147.08025	3.3
147.11661	23.9
149.09593	5.7
149.13229	31.5
151.11159	6.6
155.08502	3.9
157.10095	7.9
159.07988	2.3
159.11673	31.5
161.09599	2.1
161.13205	9.0
163.11160	6.8
165.09074	2.7
165.12770	1.8
169.10103	5.3
171.11700	9.5
173.09561	1.8
173.13234	26.0
175.11192	4.0
175.14853	3.9
177.12714	4.9
181.10162	2.5
183.11649	4.7
185.09715	2.4
185.13260	5.8
187.11224	2.6
187.14824	6.3
189.12724	2.6
189.16364	4.6
191.14244	2.3
197.13248	3.2
199.11188	2.8
201.12595	1.9
205.15994	2.2
205.19461	8.6
211.14845	2.4
213.16377	6.2
215.17917	78.1
216.18237	2.3
217.19426	2.5
225.16368	2.6
227.17961	3.6
231.17413	8.6
233.18961	83.3
234.19200	1.8
235.20401	1.7
239.18016	2.4
243.13882	2.9
243.17551	2.1
249.18501	6.9
251.19940	3.0
257.19043	2.9
261.18536	3.9
261.82269	1.8
263.20038	2.1
273.18414	2.2
275.20013	10.8
287.19949	3.7
299.19937	2.5
303.19415	1.7
307.22638	10.3
313.21588	3.9
315.19586	2.6
317.21198	3.2
323.20068	4.5
325.23624	19.5
331.22610	2.7
341.21011	18.0
359.22186	15.8
377.23077	16.6
395.24271	11.2
400.66254	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	732.5468
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07522	0.9
53.03921	1.5
55.05505	5.6
57.03415	2.0
57.07066	33.8
61.02907	1.3
67.05501	10.2
67.92628	0.8
68.05801	1.2
69.07045	6.0
71.04969	4.2
71.08622	27.0
71.63705	1.7
73.02882	1.3
73.06536	9.6
79.05488	6.1
80.05817	1.9
80.69389	0.7
81.07040	12.8
82.07369	1.5
83.04963	1.0
83.08601	4.0
85.06500	1.5
85.09698	1.5
85.10163	14.4
86.09702	0.9
87.04461	11.3
89.06017	100.0
91.05450	3.1
93.07033	6.2
94.07342	1.2
94.64743	0.7
95.08599	4.3
97.06509	1.0
97.10136	3.6
98.88482	0.9
99.11737	4.2
105.07018	2.2
107.07064	4.6
107.08560	2.0
109.10114	2.1
111.11703	3.1
113.13260	2.4
117.09110	10.2
119.08553	1.4
121.10112	2.9
122.10483	1.5
123.11689	2.0
128.91241	0.8
130.08633	5.3
130.32918	0.9
131.07065	4.3
133.08580	59.7
133.10130	1.5
134.10451	1.1
135.10127	1.2
135.11658	1.4
154.29962	0.8
161.11693	3.6
161.13031	0.9
162.58191	0.9
169.19510	4.2
175.09593	2.8
177.11191	27.3
179.12836	1.0
184.07333	2.8
195.00253	1.3
213.22046	2.9
219.12215	1.4
221.13762	6.1
223.59656	0.9
239.14833	2.1
257.24722	11.7
283.17505	2.8
301.27328	8.0
302.20193	1.4
307.22672	2.2
308.22955	1.2
309.19135	1.7
309.23212	1.2
327.20035	1.7
371.22562	1.4
475.34464	1.9
476.34479	5.6
477.34836	9.6
533.38409	1.8
534.38818	4.7
535.38831	12.2
547.32996	3.2
715.51825	6.4
732.43848	0.9
732.54700	7.3
733.38806	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	732.5603
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.9
55.01861	0.7
55.05502	9.5
56.05022	4.3
57.03431	0.5
57.07061	5.5
58.02942	0.5
58.06580	0.7
59.84428	0.5
59.96268	0.4
60.04514	80.3
65.03925	1.0
67.05491	14.1
67.91457	0.4
68.05035	0.7
69.03442	0.6
69.07055	13.5
69.45749	1.1
69.46165	2.8
70.02948	0.6
70.06583	3.0
71.04980	0.6
71.08614	3.1
72.04505	4.1
74.06068	2.7
79.05476	9.4
80.05009	1.3
81.03404	3.8
81.07044	18.1
82.06577	3.2
83.04972	1.3
83.08600	10.0
84.04488	0.6
84.08144	1.2
85.02908	1.7
85.06518	0.4
85.10181	1.3
86.06046	3.2
86.09690	1.2
90.05538	3.3
91.05465	8.9
93.07025	8.4
94.06551	3.8
95.04974	2.6
95.07349	1.7
95.08591	14.5
95.57168	0.4
96.08134	2.9
97.06539	1.7
97.10143	5.4
98.06051	1.8
98.98447	0.4
99.06815	0.8
100.07641	0.7
102.05582	0.4
105.07024	5.4
107.08587	4.9
108.08137	1.7
108.08892	0.4
109.06501	1.3
109.10130	5.8
110.09680	0.8
111.08109	1.2
111.11724	1.5
112.07643	0.7
114.09206	0.5
119.08558	5.9
121.10120	5.1
122.09671	1.6
123.08070	1.5
123.11672	2.3
125.00041	0.8
126.09245	0.5
133.10097	5.7
135.10730	0.6
135.11630	2.8
136.11159	0.8
137.09572	1.0
137.13246	0.9
141.96712	0.4
144.06473	0.4
147.11694	2.2
149.13258	0.9
161.13220	0.9
175.14980	0.6
184.07318	2.7
194.75539	0.5
219.21202	0.6
233.22685	0.8
234.22110	0.5
245.22542	4.1
250.25261	3.8
252.26889	0.8
254.24878	0.4
259.54688	0.4
262.25250	30.1
263.23471	4.7
263.26181	0.7
266.24826	0.8
268.26367	1.5
272.25769	6.1
280.26297	24.1
281.26990	0.9
298.27344	9.2
298.30637	0.6
314.26868	3.0
316.28510	1.2
328.28561	0.5
344.27927	1.2
354.55823	0.4
516.47717	3.5
534.48767	15.7
535.48920	1.9
552.49780	100.0
553.50031	12.6
570.50812	48.6
571.51160	5.3
603.80029	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	732.5604
Annotation	Aralia cerebroside
Peak:m/z	Relative Intensity
53.03950	0.8
55.01859	0.8
55.05502	9.4
56.05029	4.2
57.03418	0.6
57.07067	5.7
58.02942	0.5
58.06609	0.7
60.04515	71.5
65.03940	0.5
67.05492	13.2
68.05025	0.7
69.03420	0.7
69.07057	12.0
69.45879	2.7
69.46313	1.3
70.06576	2.0
71.08628	3.1
72.04507	3.2
72.08187	0.4
73.02879	0.5
74.06070	2.4
79.05477	8.5
80.05017	1.4
81.03406	3.4
81.07040	16.3
82.06554	3.0
83.04965	1.2
83.08602	8.5
84.08147	1.2
85.02897	1.0
85.10168	1.3
86.06048	3.2
86.08413	0.4
86.09671	0.5
88.99465	0.4
90.05544	3.4
91.05462	8.9
93.07028	8.7
94.06544	3.6
95.04960	2.0
95.07340	1.5
95.08590	13.5
96.08126	1.8
97.06538	1.1
97.10147	4.8
98.06041	1.9
98.09728	0.5
100.07600	0.9
102.05553	0.5
105.07016	5.7
107.08576	5.5
108.08116	1.3
109.06529	1.2
109.10130	5.4
110.09679	0.8
111.08067	0.8
111.11706	1.2
112.07603	1.0
114.09164	0.7
117.06991	0.8
119.08556	6.2
121.10110	5.3
122.09666	1.2
123.08077	1.5
123.11698	1.9
124.11208	0.5
125.09588	0.6
126.09218	0.5
133.10098	4.5
133.10965	0.5
135.10767	0.4
135.11685	2.3
136.11214	1.1
137.09618	0.8
137.13252	1.2
147.11685	1.7
149.13222	1.2
161.13319	0.9
163.14819	0.8
175.14795	0.7
184.07324	1.2
205.19446	0.5
219.21071	0.5
222.22166	0.4
233.22610	0.5
234.22058	0.5
237.22212	0.5
238.25346	0.8
245.22568	3.5
250.25253	3.0
252.26981	1.4
254.24713	0.6
260.23715	0.7
262.25253	28.7
263.23499	4.8
266.24814	0.5
268.26416	1.8
272.25787	6.7
280.26303	25.7
281.26736	0.6
298.27359	8.9
314.26816	3.8
316.28516	1.6
344.27942	1.4
355.42310	0.4
356.27960	0.5
394.60880	0.5
407.25830	0.5
504.47607	0.6
516.47736	3.8
534.48700	15.4
535.49207	0.8
552.49786	100.0
553.50165	6.0
570.50824	48.0
571.51080	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	732.4513
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	1.0
53.03931	4.3
55.01859	2.7
55.05502	17.3
57.03178	1.4
57.03429	18.6
57.07064	2.4
61.02899	2.5
65.03921	2.7
65.04692	1.0
66.50554	0.9
67.05494	57.5
68.05826	1.1
69.03425	3.3
69.07059	11.9
69.56609	9.5
71.01323	1.0
71.04980	4.2
73.02909	1.4
73.15105	1.0
77.03876	1.6
79.05479	57.6
81.03406	76.9
81.07043	55.8
83.04966	6.5
83.08607	19.7
84.08115	1.4
85.02872	2.9
85.06536	4.6
86.09708	1.0
87.32747	1.2
91.05465	33.9
93.07028	56.4
95.04956	28.3
95.08591	36.6
95.09066	1.0
97.02869	4.0
97.06535	5.5
97.10163	6.7
98.21481	1.5
99.08068	2.8
103.05470	1.8
105.07014	27.3
107.04945	8.1
107.08576	24.0
109.02850	1.1
109.06496	6.0
109.10142	21.1
109.10775	0.8
111.04395	1.3
111.08070	7.4
113.09610	1.1
115.05437	1.1
117.06988	8.5
119.04950	1.8
119.08562	26.2
121.06508	4.8
121.10124	31.6
123.04421	2.1
123.08068	3.6
123.11713	8.5
125.09566	5.2
129.06987	10.1
131.08563	19.7
133.06477	4.0
133.10104	18.3
135.08052	3.7
135.11673	24.9
137.09578	2.4
137.13252	1.6
139.11177	2.9
141.06914	1.5
142.07768	1.9
143.08493	2.1
145.10103	13.8
147.08040	4.2
147.11668	16.0
149.09613	6.5
149.13231	10.4
151.11156	1.7
155.08606	1.4
157.10118	11.9
159.08029	1.7
159.11653	11.0
161.09579	1.2
161.13249	4.2
163.11180	4.2
169.10095	1.7
171.11609	2.6
173.13239	9.4
175.11165	10.7
175.14761	1.9
177.12737	2.3
183.11679	2.3
185.13229	2.0
187.11101	1.4
187.14816	3.3
189.11246	3.2
189.16376	2.1
191.14276	1.3
191.67848	1.0
193.12204	20.9
205.12251	1.3
205.19482	2.5
211.13257	1.6
213.14723	1.6
215.17902	25.0
215.19907	2.1
216.18423	1.1
223.13321	1.4
227.12685	6.4
233.18979	26.8
235.13301	2.1
249.14847	1.4
251.20172	1.7
255.20998	2.3
257.19049	2.1
259.13101	1.1
265.17810	1.2
267.15872	100.0
268.16330	3.0
273.18979	1.1
273.22079	4.5
285.16913	4.3
287.19202	1.1
289.21606	1.7
307.22623	88.7
308.22955	4.0
309.16907	3.1
313.21912	1.4
319.15491	1.9
325.23865	1.4
407.24460	2.1
407.29153	5.2
421.25821	1.5
425.30417	8.1
443.31509	3.6
481.33017	2.2
499.34134	62.3
517.35181	60.6
518.36151	2.2
535.36029	3.6
541.35217	4.6
607.36078	1.9
625.37207	1.6
643.38544	1.3
733.36310	2.6
743.88641	1.4
746.90015	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	732.4517
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	3.8
55.01854	2.6
55.05256	0.8
55.05502	9.5
57.03425	12.5
57.07064	1.3
61.02905	1.1
65.03911	1.8
65.31574	0.5
67.05492	39.9
68.05830	0.8
69.03408	2.4
69.06712	0.9
69.07061	14.2
70.51299	1.3
70.51668	1.2
71.01350	1.0
71.04972	3.3
73.06559	1.2
74.84402	0.6
79.05477	27.8
80.05851	0.7
81.03403	100.0
81.07042	40.0
81.58518	0.6
82.07399	0.8
83.04963	3.6
83.08594	6.5
85.02898	1.8
85.06539	1.6
91.05464	29.4
93.07025	33.6
94.07347	1.8
95.04955	4.8
95.08589	32.3
97.02876	2.1
97.06505	5.3
97.10149	1.7
99.08078	1.0
105.07014	13.5
106.07291	1.0
107.04951	1.8
107.08577	16.2
109.06506	2.8
109.10134	17.1
110.10481	0.8
111.08067	2.2
113.09621	0.9
115.05379	0.8
117.06993	6.7
119.08559	27.7
120.08951	0.6
121.06493	5.9
121.10118	14.6
123.04403	1.9
123.08021	4.5
123.11668	3.6
125.09622	0.9
129.06975	3.1
131.08549	10.2
133.06464	1.0
133.10109	9.0
134.10495	0.7
135.08038	3.6
135.11653	8.2
137.09593	22.9
137.13202	1.1
139.11171	1.1
141.07021	0.7
143.06996	3.0
143.08546	2.5
145.04922	1.4
145.06512	0.8
145.10098	9.4
147.08035	7.1
147.11681	5.8
149.09605	2.5
149.13220	4.8
151.11049	0.7
155.08554	0.7
157.10109	2.5
159.08141	0.7
159.11684	5.9
161.08232	0.8
161.09645	1.1
161.13269	4.2
163.07571	2.0
163.11159	1.5
163.14827	1.9
165.09084	19.7
165.12711	0.6
167.10666	1.4
169.10178	1.2
171.11653	3.3
173.13237	5.5
175.09698	1.0
175.11118	0.8
175.14862	1.9
177.09070	1.4
177.12811	0.7
177.16356	0.8
181.10156	1.2
183.10165	1.4
183.11609	1.4
184.07225	0.8
185.13228	1.4
187.14841	2.7
191.10780	0.7
197.13272	1.5
199.09590	3.3
199.14812	1.2
201.16362	0.9
207.10181	0.9
207.13791	0.9
213.16429	1.3
215.14471	1.0
215.17975	0.8
218.75697	0.7
219.13841	1.0
229.14369	0.9
239.12727	65.8
240.13092	2.0
243.21013	3.0
247.16914	0.6
257.13879	1.1
259.20612	1.0
261.22061	9.2
271.20880	0.8
273.22028	1.0
279.23132	1.1
281.13824	1.6
285.22073	0.9
287.23593	1.2
289.21689	1.2
299.23694	1.6
301.25256	2.0
303.23096	0.8
307.22931	1.1
315.19330	0.6
317.24796	1.9
327.22995	1.4
333.24240	1.0
335.25739	42.4
336.26276	2.4
345.24414	1.4
359.25925	1.0
363.25171	1.3
375.21637	0.8
389.23462	1.0
389.28400	1.9
393.22598	0.8
397.30722	0.7
400.73819	0.6
401.27026	2.0
407.24359	1.2
407.29474	5.4
408.29626	0.7
417.26813	0.7
421.25540	0.7
425.30493	7.4
435.26941	0.8
443.31546	2.3
461.32202	0.9
481.33264	2.3
499.34091	40.1
500.34525	3.7
510.78418	0.7
515.50043	0.6
517.35156	47.9
518.35406	3.4
535.36255	7.6
536.36383	0.8
541.35095	1.8
607.36151	0.7
724.59454	0.7
733.37518	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	730.5661
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01843	0.5
55.05500	3.3
57.07067	31.7
59.04993	0.7
59.09941	0.3
60.08143	0.5
67.05509	2.1
67.81226	0.4
69.07059	4.6
69.40263	2.0
69.40691	1.8
71.08622	30.5
72.08953	0.4
73.02912	0.9
73.06546	9.7
75.15788	0.4
78.91248	0.4
79.05489	0.5
81.07035	2.0
83.08609	5.7
85.10168	18.9
86.09697	3.7
87.04458	9.9
89.06019	100.0
91.07597	1.3
92.06265	0.4
93.07015	0.6
95.08590	1.6
97.10159	6.7
97.68503	0.4
98.21449	0.7
99.11729	3.1
104.10679	0.4
105.07020	0.6
107.07057	4.2
109.10124	1.1
111.11707	3.4
113.13248	1.8
117.09114	8.8
117.60542	0.4
122.18391	0.4
124.99988	1.6
125.13252	1.9
127.14831	2.0
130.08627	4.9
131.07027	2.9
133.08585	55.1
134.08781	0.4
135.10162	1.7
139.14792	0.8
141.16357	1.8
151.09648	0.5
155.17905	0.8
161.11732	2.8
169.19519	0.6
175.09637	1.8
177.11198	26.2
184.07321	10.4
211.24240	2.5
219.12247	0.7
221.13814	5.4
223.15312	0.6
225.84995	0.4
229.14320	0.8
239.14874	2.1
255.26845	2.7
265.16510	0.9
283.17532	2.9
299.26373	0.7
299.29401	8.8
309.18927	1.4
327.20074	1.4
343.32043	5.5
344.32352	0.7
353.21796	0.7
371.22507	0.6
459.27798	1.1
467.37036	0.4
493.40515	0.7
503.30222	2.7
625.48944	0.5
669.50677	0.9
713.42596	0.5
713.53796	6.3
730.56482	7.6
734.74084	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	730.472
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02364	0.6
53.03934	2.4
55.01858	1.4
55.05500	13.5
57.03430	6.1
57.07067	2.5
59.04984	1.0
61.02911	3.6
65.03918	1.9
67.05492	54.2
68.05819	0.5
69.03409	2.0
69.07056	7.9
70.69389	1.6
71.04980	16.1
73.02898	0.6
73.06538	0.8
74.17135	0.5
79.05477	42.1
80.05810	0.6
81.03401	1.2
81.07040	76.6
82.07384	1.0
83.04965	2.8
83.08603	7.1
85.02891	2.9
85.06528	7.9
86.09684	0.7
87.04467	0.8
91.03951	1.3
91.05464	23.8
92.43575	0.5
93.07025	41.1
95.04942	4.3
95.08588	21.1
97.02869	2.1
97.06500	4.0
97.10144	2.4
99.08069	2.8
105.07011	13.4
107.04950	0.5
107.08572	13.4
109.06517	1.5
109.10138	11.1
111.08065	1.4
117.06995	4.9
119.08559	7.4
121.06525	0.6
121.10120	23.8
121.82822	0.5
122.10410	0.5
123.08061	1.6
123.11681	11.9
123.77750	0.4
125.09625	2.1
127.07506	0.8
131.08539	6.9
133.10106	17.9
135.08038	1.5
135.11664	6.1
137.09540	0.9
139.11110	1.0
143.08592	0.6
145.10080	5.5
147.11646	3.2
149.09605	0.9
149.13235	5.1
151.11157	6.3
159.11659	5.5
161.13211	1.0
162.70731	0.4
163.11156	0.7
169.12227	1.5
171.11717	1.2
173.13226	3.4
174.95351	0.5
175.14713	0.7
177.12723	2.1
183.11563	0.5
183.13800	2.5
184.07295	3.4
185.13353	0.6
187.13254	4.1
187.14796	0.7
195.13788	0.9
199.56685	0.5
201.14789	0.5
203.27225	0.5
215.17947	3.4
227.96892	0.5
233.18938	1.7
236.57768	0.5
243.15898	1.7
257.17374	1.1
269.17432	4.2
301.20026	12.7
304.61517	0.5
307.22623	30.0
308.22992	0.6
330.32074	0.6
335.25766	1.2
351.52423	0.6
365.28098	0.8
383.29431	1.2
388.82788	0.6
424.17120	0.6
457.32938	2.1
475.34106	76.6
476.34354	3.1
489.35919	3.5
501.35684	11.1
502.35934	0.7
519.37067	0.9
533.38281	100.0
534.38647	5.1
538.55255	0.5
654.06769	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	730.4355
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02368	1.8
53.03926	5.2
55.01857	6.6
55.05503	15.4
56.12647	1.7
57.03427	13.8
61.02909	4.8
65.03915	2.6
67.05490	65.7
69.03397	2.1
69.07055	12.8
69.28918	19.0
70.06573	2.7
71.04973	4.2
73.02897	1.9
79.05476	66.1
81.03385	10.7
81.07040	45.8
83.04962	13.9
83.08617	9.6
84.96004	1.7
85.02879	6.6
85.06521	5.1
91.05462	34.4
93.07026	70.5
95.01338	1.7
95.04955	15.5
95.08589	29.2
95.84091	1.9
97.02859	4.1
97.06505	11.7
99.04424	2.5
99.08070	2.1
105.06462	2.0
105.07011	20.1
107.04941	25.5
107.08569	32.5
109.06478	4.0
109.10134	18.9
109.57638	1.8
111.04411	16.7
111.08053	7.1
117.06995	14.2
118.35400	2.1
119.08553	23.5
121.06503	4.4
121.10120	45.2
123.08033	2.6
123.11676	6.9
125.05912	2.0
129.06978	4.2
130.07851	2.0
131.04893	2.9
131.08542	18.4
133.10121	14.2
135.07980	2.5
135.11673	37.2
137.09596	4.7
145.06439	6.7
145.10110	35.6
147.07996	2.8
147.11667	11.7
149.09583	5.4
149.13208	6.7
153.12671	10.7
155.08539	7.0
157.10127	3.7
159.11641	6.8
163.11162	31.4
171.11714	2.6
173.09599	17.0
173.13223	6.7
180.80722	1.9
181.10086	1.6
181.10823	1.8
181.12212	12.9
184.07375	3.3
191.10579	15.7
205.19441	2.7
209.11658	11.3
215.17928	13.5
227.12749	12.8
231.17529	2.2
233.18962	18.8
251.19920	2.2
257.13821	2.2
265.14307	22.9
283.15356	71.8
301.16415	54.8
307.22614	100.0
308.22940	3.1
367.97470	2.0
405.27478	2.7
423.28897	4.3
441.30026	3.3
455.86850	2.2
487.34003	6.4
497.32910	8.5
515.33624	58.7
533.34607	80.8
534.35016	3.3
550.26862	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	730.4723
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02359	0.5
52.39381	0.3
53.03930	1.2
55.01857	1.0
55.05258	0.6
55.05503	8.4
56.21032	0.4
57.03432	6.2
57.07055	1.6
59.77158	0.4
60.08120	0.4
61.02921	2.8
62.06082	0.7
65.03933	0.8
67.05495	35.9
69.03423	1.9
69.07059	9.2
69.33602	0.4
71.01346	0.7
71.04979	9.8
71.08616	0.5
73.02905	0.8
75.60629	0.4
77.90055	0.4
79.05479	23.7
81.03400	1.6
81.07044	24.2
83.04953	2.6
83.08613	3.9
85.02889	2.2
85.06517	1.4
86.09705	1.5
86.38496	0.4
89.07704	0.4
91.03947	1.2
91.05463	11.1
93.07027	30.2
94.07384	0.4
95.04964	3.0
95.08591	100.0
96.04496	0.4
96.08930	1.8
97.02879	1.0
97.06489	3.3
97.10147	2.6
99.04430	0.7
99.08051	0.9
103.03912	0.6
105.07014	9.2
107.04921	0.7
107.08576	13.9
109.06500	0.8
109.10137	8.7
111.08065	0.9
113.09640	0.5
117.06999	2.5
119.08562	7.8
121.06473	0.5
121.10125	19.1
122.10444	0.7
123.08051	8.6
123.11692	2.4
124.99979	1.3
125.09612	1.8
127.03910	0.8
129.06987	1.3
131.08556	8.5
133.10110	5.4
135.11665	6.0
137.09593	1.6
137.13249	0.5
139.11145	1.3
141.09073	3.1
143.08531	1.0
145.10075	4.3
147.11655	3.3
149.09572	3.3
149.13264	3.4
155.08505	0.6
155.10611	1.0
157.10120	0.7
159.10165	5.4
159.11681	3.3
161.13243	2.8
163.11145	0.6
163.14810	1.1
167.10684	1.6
171.11693	1.4
173.11835	0.8
173.13268	3.1
175.10979	0.5
175.14816	1.2
183.11685	0.5
184.07298	4.8
184.62491	0.4
185.11754	0.5
185.13266	1.3
187.14804	1.5
197.11635	0.8
199.13243	3.8
199.14804	0.7
201.16357	0.6
209.13330	0.4
211.14865	0.7
212.96600	0.4
215.12775	0.6
222.76108	0.4
227.18062	0.5
229.14363	1.5
229.32587	0.5
231.15726	0.5
241.14330	4.6
241.19579	0.6
243.21169	0.8
259.20465	1.9
261.22101	2.8
273.16904	18.6
274.17334	0.5
285.22000	0.6
289.21707	0.6
317.24951	0.6
333.24326	1.3
334.93292	0.5
335.25726	19.1
336.26001	1.1
362.12277	0.4
363.25211	1.2
365.28333	1.1
377.26767	0.6
383.29376	3.0
401.30685	0.5
409.31158	1.2
427.32104	0.5
457.33078	5.7
475.34125	71.3
476.34406	4.2
483.34726	1.0
489.35718	2.0
501.35663	14.7
502.35739	0.9
507.36731	1.3
519.36658	1.4
533.38312	37.8
534.38660	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	728.4204
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00290	2.4
53.03927	2.0
55.01862	4.9
55.05304	0.7
55.05505	9.1
57.03425	13.2
57.07053	1.9
60.08140	1.7
61.02921	4.5
65.03912	1.7
67.05495	43.8
69.03423	1.0
69.07067	9.2
70.00514	4.3
71.01334	1.2
71.04953	2.1
71.08627	0.9
73.02896	3.5
79.05481	61.7
81.03389	2.3
81.07044	42.2
82.55660	0.7
83.04961	2.3
83.08598	3.7
85.02896	5.2
85.06535	2.6
86.09694	4.3
91.03934	1.8
91.05466	28.3
93.07027	33.6
93.28721	0.8
95.04953	6.8
95.08595	35.6
97.02873	2.8
97.06502	3.3
97.10151	2.1
99.00788	11.7
99.08069	2.1
103.05437	1.5
105.07014	93.7
105.40511	0.8
106.07332	1.1
107.04942	5.6
107.05566	1.0
107.08573	27.2
109.02863	3.5
109.06494	2.3
109.10141	15.4
111.08080	1.4
113.09592	0.9
115.05408	4.3
117.06996	6.3
119.04870	0.9
119.08569	10.9
120.12701	0.7
121.08752	0.8
121.10130	15.8
121.67905	0.8
122.10506	0.8
123.04391	1.1
123.08062	10.5
123.11695	7.2
124.99973	3.4
125.05903	0.9
129.06966	1.4
131.08540	7.8
133.06470	44.0
133.10110	15.5
134.82176	0.9
135.04387	8.8
135.08064	3.8
135.11661	13.3
137.05928	1.5
137.09569	1.4
137.13239	2.0
143.08531	1.2
145.10103	6.8
147.11662	5.3
149.09593	2.2
149.13234	6.4
151.07520	53.9
151.11082	1.6
153.09123	1.6
159.11659	5.3
161.05960	1.6
161.09596	3.0
161.13229	4.4
163.11125	1.1
163.14803	3.7
173.13246	3.7
175.14674	0.8
177.16431	1.0
179.07019	9.7
179.10553	1.3
184.07320	15.9
185.13239	1.1
187.14835	2.2
197.08078	6.8
199.09615	1.2
211.13181	1.5
215.09097	2.7
215.17914	3.3
225.87384	0.9
233.18973	5.3
233.22482	1.0
243.21033	7.5
253.10669	12.5
253.14337	1.5
259.20499	1.4
261.22095	20.7
271.11716	100.0
272.12039	1.9
277.21661	1.4
279.23056	0.9
285.16931	0.9
299.14865	9.6
307.22601	13.0
315.23080	1.4
317.24768	3.6
318.25729	0.8
333.24197	1.3
335.25745	91.7
336.26065	2.2
348.18265	1.0
393.27588	1.6
395.29358	1.3
403.26123	1.6
411.28781	1.5
421.27277	3.6
439.28494	4.8
457.29471	1.5
477.30042	0.9
485.32669	3.8
487.33963	1.1
495.30887	2.8
503.33444	3.0
513.32111	17.8
517.35199	1.5
531.33093	42.9
532.33350	1.8
549.34369	3.7
587.46417	1.3
728.43738	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	730.4359
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03915	3.0
55.01866	9.1
55.03075	1.2
55.05259	1.3
55.05502	15.8
57.03426	21.4
57.07066	2.8
61.02900	4.8
65.03911	2.8
65.04232	1.2
67.05493	64.6
67.76772	1.2
68.68483	1.1
69.03417	3.5
69.07062	17.2
71.01328	2.8
71.04969	5.0
71.63423	1.3
73.02884	2.2
79.05478	62.1
80.29388	1.1
81.02911	1.7
81.03401	43.9
81.07042	76.9
83.01311	1.8
83.04948	3.3
83.08604	8.3
85.02891	18.4
85.06510	2.2
91.03944	2.6
91.05464	46.7
93.07027	59.6
95.04952	6.8
95.08594	47.6
95.09219	1.5
96.97017	1.2
97.02876	12.7
97.06503	15.0
97.10138	4.4
99.04444	1.3
99.08092	2.3
105.04453	1.3
105.07007	21.4
107.04929	8.6
107.08575	57.5
109.06510	11.0
109.10141	20.4
111.04456	1.7
111.08056	5.4
112.51462	1.2
115.05410	3.6
117.06996	38.6
119.04916	3.7
119.08555	16.1
121.06483	9.8
121.10121	19.7
123.08050	3.4
123.11694	6.6
125.09608	10.2
129.05417	1.5
129.07005	2.1
130.30447	1.2
131.08553	11.4
133.06435	1.4
133.10130	11.9
135.08031	82.9
135.11664	14.4
137.05937	4.3
137.09587	2.2
139.07538	6.6
143.07021	2.1
143.08527	1.9
145.06432	3.4
145.10098	7.6
147.11655	7.0
149.02321	1.3
149.09598	2.4
149.13228	7.2
151.11124	1.3
153.09068	9.3
157.10065	2.1
159.11667	7.8
161.13242	7.1
163.07518	69.2
163.14792	3.6
165.09105	1.6
169.10086	1.7
171.10133	1.4
171.11598	2.5
173.13223	7.9
177.16217	2.3
177.47397	1.1
181.08562	19.3
181.10039	1.4
183.11716	1.5
184.07309	5.4
185.13240	1.5
187.14787	2.4
197.13225	1.4
199.09601	8.9
199.14827	1.6
201.16374	1.3
215.17795	1.2
221.54150	1.1
223.06926	1.1
225.11113	2.6
233.18875	1.7
233.22572	1.1
237.11157	5.1
239.12643	1.6
243.21062	5.6
255.12216	37.6
259.20395	3.0
261.22113	21.6
271.11719	1.3
272.11951	1.9
273.13281	82.4
274.13480	1.3
299.23575	2.4
301.16144	1.2
307.22601	1.7
317.24719	3.8
333.24283	1.5
335.25742	100.0
336.25934	3.5
353.26480	2.1
384.90393	1.3
405.27713	8.6
423.28928	8.6
441.29709	5.5
459.30542	1.9
479.31207	1.5
497.32529	15.9
515.33636	61.6
516.33942	3.2
532.32758	1.7
533.34644	55.2
534.34607	1.8
730.41840	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	728.4206
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00294	1.6
53.03936	2.4
55.01874	2.6
55.05502	14.6
57.03425	11.7
57.07053	1.5
58.63163	0.4
59.04972	1.6
61.02919	3.6
63.70622	0.4
65.03918	0.8
67.05491	35.5
69.03401	3.1
69.07055	6.7
70.68608	0.5
70.68967	1.6
71.01338	0.5
71.04990	2.5
71.08597	0.7
73.02885	2.0
79.04998	0.6
79.05477	35.6
81.03413	3.9
81.07041	39.1
83.04984	3.1
83.08122	0.9
83.08600	11.3
85.02883	5.4
85.06530	4.0
86.09684	1.6
87.04445	0.5
91.03927	2.0
91.05464	25.1
93.07027	42.7
94.07349	0.8
95.04954	5.4
95.08589	23.2
96.35902	0.5
97.02865	5.0
97.06514	4.1
97.10154	2.4
99.00797	12.2
99.04420	1.4
99.08099	2.5
103.05425	1.0
105.04525	0.6
105.07014	19.8
106.84550	0.5
107.04939	4.4
107.07848	0.9
107.08575	19.3
109.02856	6.6
109.06510	3.3
109.10132	12.7
111.04427	1.3
111.08064	3.6
113.09618	1.1
115.03893	2.8
115.05447	0.6
116.26348	0.6
117.06991	5.1
119.08555	13.0
121.06496	5.6
121.10123	19.9
123.04401	1.5
123.08024	1.8
123.11687	6.2
124.99952	0.7
125.09592	1.3
127.03870	3.0
127.07517	0.6
128.06197	0.7
129.05440	0.9
129.06973	0.8
130.78809	0.5
131.08543	8.5
133.06427	1.1
133.10107	36.9
135.08008	1.7
135.11662	16.7
136.12044	0.5
137.05969	1.7
137.09587	2.2
137.13211	0.7
139.07498	2.4
139.11151	0.8
143.08521	5.1
145.06479	0.7
145.10094	6.7
147.07996	0.9
147.11668	5.6
149.09592	1.8
149.13240	8.3
151.11160	10.3
153.07034	0.6
157.10054	0.5
159.11673	6.2
161.09589	12.8
161.13219	1.4
163.11137	1.7
163.14740	0.5
165.08983	0.6
168.70584	0.5
171.08018	3.1
171.11624	0.8
173.13249	5.3
175.14786	1.2
179.10637	8.4
184.07330	3.9
187.14799	1.4
189.09068	5.7
189.16360	1.1
197.11688	2.1
199.31032	0.5
205.19501	1.8
207.10091	2.8
215.17902	22.1
216.18532	0.5
225.11182	9.1
227.12683	1.1
233.16602	1.3
233.18961	25.5
234.19310	0.9
243.12225	3.3
249.18532	1.1
281.13910	3.0
289.21552	1.4
299.14835	93.7
300.15186	2.5
305.20975	1.2
307.22614	100.0
308.23007	2.9
393.27710	0.9
421.27393	1.7
429.29599	0.5
439.28293	3.6
457.29333	2.1
485.32571	1.8
487.34171	1.0
503.33301	1.4
513.31915	7.6
530.55005	0.6
531.33081	49.6
532.33124	1.7
542.50653	0.6
547.11896	0.5
549.33862	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	728.4051
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03873	1.5
53.04084	0.7
55.01783	2.1
55.05428	5.7
55.05717	1.0
56.04958	0.7
57.03347	4.6
57.07002	0.9
61.02844	0.9
67.05403	10.0
67.05790	1.2
69.03340	1.6
69.06966	7.4
69.07371	0.9
69.74519	4.3
70.06488	5.0
70.06895	1.2
71.04885	2.3
72.08083	1.4
79.05383	11.7
81.03308	43.2
81.06945	9.6
81.07451	0.8
82.03632	1.2
83.04865	3.1
83.08503	6.1
84.04427	0.8
84.08055	1.5
85.02792	1.6
85.06451	0.7
86.09604	2.3
91.05365	15.0
92.05766	0.8
93.06926	12.3
95.04849	10.3
95.08485	6.9
97.02788	1.1
97.06516	4.9
97.10047	7.1
99.07986	0.7
105.03266	1.1
105.07010	6.6
107.04942	11.3
107.08572	6.7
109.06503	5.9
109.10137	3.6
110.07059	1.2
111.04364	1.4
111.08087	3.2
113.76785	0.6
115.05357	1.0
115.07471	0.7
117.07003	4.9
119.04892	1.0
119.08561	14.7
120.08004	0.9
121.06477	7.1
121.10131	5.8
123.04305	2.2
123.07952	2.3
125.05852	2.2
125.09604	7.8
127.03834	0.7
129.06992	5.1
129.10129	1.2
131.04794	1.4
131.08548	6.1
133.06358	2.4
133.10095	2.9
135.04309	1.1
135.08012	4.6
135.11577	1.9
137.09605	7.6
139.07422	0.7
141.06897	1.0
143.06992	4.5
143.08427	2.3
145.06514	3.2
145.10071	2.9
147.04367	3.3
147.08034	6.4
147.11552	2.8
149.09471	2.4
151.07434	1.3
153.08998	1.4
153.12656	0.7
155.08313	1.3
157.06430	1.4
157.10104	2.9
159.07899	2.0
159.11539	2.0
161.05930	0.8
161.08107	1.5
161.09477	2.4
163.07428	1.4
163.11171	5.5
165.09097	7.9
167.08447	1.1
167.10551	1.2
169.09976	2.8
171.07925	1.6
171.10072	0.7
171.11469	0.9
173.09512	1.5
173.13126	0.6
175.07423	0.9
175.11136	3.2
177.09113	1.5
177.12624	0.9
181.09970	0.8
183.07973	0.7
183.09952	0.5
183.11534	0.9
185.09624	3.0
187.11145	4.0
189.08955	2.4
189.11066	2.3
189.12616	0.8
191.10692	3.3
193.12230	6.5
195.08049	0.8
195.09940	0.9
197.09523	1.5
197.13167	1.0
199.09450	1.1
199.11104	1.5
203.10574	1.3
203.67749	0.6
204.09048	0.6
205.12047	1.8
209.09486	0.9
209.11314	0.7
209.13239	0.8
211.11070	2.0
211.13058	0.7
213.09178	1.0
213.12671	1.1
215.10652	0.8
215.14131	0.7
217.12187	1.5
219.13680	1.0
221.11447	0.7
223.13109	1.0
227.10698	3.9
227.14262	0.9
229.12202	0.7
231.10052	1.3
233.15157	1.1
235.13263	0.8
237.12776	1.0
239.10461	1.1
239.12740	16.8
240.13135	0.8
241.12146	1.2
243.13670	1.0
245.11601	1.5
249.14761	1.3
255.13649	1.3
259.13153	1.8
267.15894	15.4
273.14774	2.9
283.08212	0.6
292.23578	1.0
293.18906	0.8
311.19968	4.1
321.18420	4.1
329.21014	6.3
339.19458	16.1
340.19870	0.9
353.20801	0.7
357.20538	13.2
375.21561	2.6
377.20941	0.7
385.23352	0.8
413.23239	7.8
431.24231	100.0
432.24500	7.5
449.25296	84.9
449.31860	1.3
450.25543	6.6
463.26880	18.1
463.44650	0.7
464.26944	1.4
473.25177	2.3
481.28021	4.7
513.30591	1.7
515.26184	0.9
539.26392	1.5
618.91034	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.5071
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	5.9
55.01866	12.9
55.05504	24.7
57.03450	1.9
57.07067	79.0
60.37694	1.5
62.21875	1.4
64.78138	1.6
65.03923	3.4
65.67424	1.6
67.05492	36.8
69.03424	5.3
69.07056	22.3
71.08626	2.8
71.26615	3.1
71.26933	2.3
79.05490	24.0
81.03413	7.4
81.07050	25.8
83.08609	9.1
91.05464	33.2
91.05991	2.3
93.07038	16.4
95.04957	11.6
95.08584	12.5
97.06540	2.7
103.05487	3.1
105.03377	2.2
105.07021	20.2
107.04954	4.7
107.08603	9.9
109.06525	2.2
109.10147	9.0
115.05437	10.7
117.06995	11.2
119.08596	6.8
121.06503	2.7
121.10126	4.6
127.11184	4.3
128.06183	9.7
129.06992	16.1
131.04936	2.2
131.08572	6.1
133.06499	3.7
133.10130	2.4
135.11719	2.2
141.06943	9.2
143.08507	8.7
145.06384	3.5
145.10138	1.6
147.07957	1.8
149.13222	2.1
151.11285	1.6
152.06216	6.0
153.07056	8.5
155.04897	1.9
155.08539	9.5
157.06538	2.4
157.10152	3.7
161.09619	2.5
165.06972	15.2
165.46928	1.8
166.07782	5.2
167.08543	12.9
167.14299	1.9
169.06502	3.7
169.10114	4.3
171.08075	3.1
178.07765	10.7
179.08531	12.4
179.14317	3.8
181.06464	4.6
181.10141	5.0
183.08035	3.3
184.07376	2.2
185.09669	1.9
189.07027	4.1
190.07796	5.3
191.08522	9.2
192.09300	3.1
193.10135	6.4
195.08118	5.3
197.09648	2.6
202.07704	12.7
203.08507	12.8
204.09378	5.2
205.06621	3.2
205.10104	9.6
207.08104	5.7
207.11752	3.1
208.08815	1.8
209.09578	2.9
213.16400	2.0
215.08521	14.6
216.09367	5.8
217.10077	9.9
217.15868	2.3
218.07300	3.4
219.08139	7.0
219.11815	4.6
221.09674	4.8
223.11369	1.7
226.07800	4.3
227.08588	6.8
228.09262	10.3
229.10086	16.0
230.10815	3.8
231.08076	5.8
231.11760	5.7
232.08733	2.1
233.09634	7.2
239.08481	17.6
239.10609	1.9
240.09340	12.0
241.10071	17.2
242.10915	4.0
243.08069	2.8
243.11807	6.0
243.17206	1.9
244.08784	2.2
244.12381	2.9
245.09683	7.0
247.11136	2.9
250.07779	2.3
251.08636	2.3
252.09273	20.0
253.10045	18.1
254.10928	6.7
255.08177	6.5
255.11604	11.7
256.08859	2.5
257.09689	7.3
257.13232	2.7
258.10410	2.9
259.11145	4.2
263.08713	6.6
264.09207	9.9
265.10098	24.7
266.10861	14.7
267.08020	1.9
267.11728	13.5
268.08932	4.2
268.12369	3.2
269.09705	7.2
269.13354	5.5
270.10587	3.0
271.11194	6.1
276.09302	20.8
277.10049	27.5
278.10858	17.0
279.08344	4.7
279.11728	23.4
279.17599	1.8
280.09158	3.2
280.12405	5.1
281.09744	9.5
281.12973	8.6
282.10452	5.8
283.11191	6.7
284.11838	2.0
285.12900	2.0
288.09308	2.4
289.10025	31.4
289.12888	2.5
290.10910	19.7
291.11630	29.6
292.09000	4.0
292.12518	12.0
293.09702	10.1
293.13297	13.7
293.19147	2.4
294.10382	6.1
294.13745	2.8
295.11221	11.1
295.14658	4.1
296.12015	4.5
297.12894	4.2
299.14688	3.0
300.09225	10.7
301.09998	15.7
302.10837	27.2
303.08310	2.0
303.11630	32.9
304.12308	14.4
305.09674	11.8
305.13290	25.6
305.19217	2.6
306.10434	8.7
306.14090	7.1
307.11234	15.1
307.14847	6.4
307.22797	2.9
308.12039	3.1
309.12766	7.6
310.13535	3.7
311.14401	3.0
313.10007	14.8
314.10773	18.6
315.11636	32.6
315.20926	2.2
316.08871	3.5
316.12332	21.2
317.09573	8.7
317.13309	25.8
317.18863	2.5
318.10400	10.8
318.14136	11.0
319.11224	18.0
319.14905	11.7
320.12061	6.7
321.09146	3.2
321.12732	12.8
321.16226	3.4
322.13397	3.3
323.10730	2.5
323.14359	4.9
325.10226	2.9
326.10822	13.1
327.11655	23.4
328.12387	18.1
329.09677	6.1
329.13135	31.0
330.10434	7.9
330.14151	11.4
331.11188	17.7
331.14944	13.2
332.12021	11.3
332.15729	4.6
333.12759	16.8
333.16217	3.3
334.13513	6.1
335.10574	3.5
335.14371	7.0
336.11569	2.6
338.10934	4.0
338.20743	1.9
339.11572	16.4
339.21268	2.1
340.12451	11.5
341.09308	3.7
341.13177	23.2
342.10342	5.6
342.14093	12.7
343.11182	16.4
343.14948	16.8
343.20612	3.8
344.12000	8.7
344.15729	3.6
345.12787	20.7
345.16428	5.3
346.13486	8.7
347.10623	3.1
347.14420	14.3
348.11298	3.0
349.12292	4.8
349.16040	2.9
351.11890	5.0
351.21021	2.2
352.12613	5.6
353.13266	14.8
354.14047	6.3
355.10992	6.3
355.14938	13.8
355.20789	2.5
356.11884	8.5
356.15802	3.8
357.12778	13.8
357.16467	6.9
358.13641	6.8
359.14328	10.9
359.17819	3.0
360.15173	4.4
361.12039	3.8
361.15985	6.4
365.13336	5.6
366.14160	4.6
367.14902	6.8
367.20551	3.1
368.15912	2.7
369.12350	9.9
369.16583	6.2
369.22357	3.5
370.13550	7.3
371.14175	11.2
371.18411	2.7
372.14948	4.0
373.11954	2.5
373.16089	4.6
374.12784	3.0
375.13660	3.8
377.22916	2.6
379.15073	3.8
380.15735	2.2
381.12347	2.3
381.16806	4.2
381.21869	2.4
382.13412	3.3
383.14230	5.5
383.23697	2.2
384.14993	4.2
385.15948	6.3
387.21481	2.5
388.22272	2.3
389.22879	3.0
391.20380	4.0
393.21957	3.3
395.14148	2.8
397.15933	4.6
401.22995	3.2
402.23578	2.8
403.24530	4.6
405.22134	3.9
407.23993	2.8
411.17535	2.3
413.22861	3.6
414.23599	3.1
415.24454	5.2
417.22153	6.8
419.23846	6.1
427.24448	4.9
429.21576	2.6
429.26373	4.0
431.23596	7.0
433.25467	5.6
439.24057	4.8
440.25113	2.2
441.26022	3.0
443.23123	9.0
445.25577	9.1
453.25793	2.2
455.23306	3.7
457.25348	6.6
458.26208	3.4
459.27609	3.3
469.25433	6.1
470.26196	2.9
471.27081	7.6
473.24332	2.5
475.26227	2.7
482.26123	2.3
483.26706	3.8
485.24448	2.7
487.26462	5.1
499.25995	2.2
501.27686	2.9
517.34509	3.1
525.35114	2.3
529.34338	2.2
531.34369	2.0
543.37085	3.5
545.37323	3.2
555.36572	5.2
557.37646	4.2
561.36835	2.3
567.35907	2.7
568.37134	2.5
569.37866	2.8
571.38391	6.0
573.37390	3.5
581.37683	8.0
583.39288	5.5
585.37402	5.4
586.37506	2.4
599.38812	18.1
600.39667	2.0
601.40381	5.2
611.39233	2.6
615.38153	2.6
643.49182	2.1
652.37128	2.2
653.48077	3.3
671.47919	17.0
681.50562	3.6
691.48480	2.8
699.51105	5.6
709.49835	18.2
727.50732	100.0
728.51190	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	726.4774
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02353	1.4
53.03934	3.6
55.01867	1.1
55.05505	13.9
55.16065	0.8
57.03179	1.3
57.03436	12.0
57.07061	3.1
57.64675	0.8
61.02900	2.5
63.84537	0.8
65.03951	2.5
67.05498	60.0
69.03436	1.2
69.06709	1.6
69.07061	20.2
71.04974	3.8
71.08606	1.3
71.63583	0.9
71.63990	0.9
73.02908	1.8
77.03914	1.0
79.05482	39.7
81.03400	1.5
81.07047	72.7
82.07368	0.9
83.04961	3.9
83.08603	14.4
85.02886	2.8
85.06524	2.8
86.09662	1.0
91.05475	19.6
93.07034	56.5
93.69047	0.9
94.07355	0.9
95.04945	6.3
95.08596	31.4
97.02875	1.9
97.06519	8.8
97.10169	2.2
99.08060	1.9
104.73245	1.0
105.07008	12.4
107.08583	32.3
109.06526	2.6
109.10139	10.1
111.08053	5.8
113.09654	1.6
117.06998	7.2
119.08560	8.6
121.10123	22.0
123.08107	1.4
123.11737	4.2
129.06961	0.9
131.08553	10.5
133.10110	9.1
135.08012	0.9
135.11676	11.9
139.11124	1.1
145.10120	4.0
147.11694	4.5
149.09654	1.0
149.13235	24.2
157.10037	1.1
159.11659	10.5
161.13239	2.1
163.14862	1.8
173.13237	3.0
177.12764	5.6
177.16339	1.0
180.54959	1.1
184.07370	3.0
195.13756	7.5
213.14798	1.2
243.21112	2.5
255.23294	1.2
261.22162	8.6
267.15872	2.7
269.17447	84.8
270.17783	2.8
316.66452	0.9
317.24490	2.1
335.25769	54.6
336.26120	2.2
437.33963	1.5
519.36487	2.6
529.38837	100.0
530.38928	7.6
537.37439	1.2
547.39600	2.5
726.45660	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.1942
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96552	0.9
71.61631	0.6
71.61979	0.7
94.24736	0.7
94.92999	2.7
98.97578	1.5
112.89608	3.5
114.89368	1.0
115.76148	0.6
116.98577	1.1
128.79608	0.6
128.98639	1.0
139.91487	1.2
158.99677	0.7
161.01181	0.8
170.99687	1.1
177.00682	0.9
182.99570	1.0
189.00713	1.0
201.00584	3.2
202.89156	0.7
219.01643	2.9
222.98819	1.2
230.88513	2.9
232.92258	2.6
237.02919	1.4
243.01653	1.4
248.89600	1.7
261.02737	6.3
279.03784	3.4
291.03787	0.9
306.85388	3.7
321.04944	2.9
344.85681	1.1
380.78793	1.6
381.07867	100.0
382.08139	4.5
399.08136	1.4
441.09109	9.1
572.67645	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.4102
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	4.2
55.01858	3.4
55.05506	10.0
57.03416	9.9
64.37832	1.3
67.05494	19.2
69.03412	4.1
69.07043	5.2
70.06581	8.5
71.04977	4.3
71.63068	2.7
72.08133	2.8
78.32468	1.3
78.33609	1.2
79.05480	18.1
81.03408	86.1
81.07048	17.1
83.04977	8.4
83.08607	19.4
84.08154	2.7
85.02889	12.5
85.06554	1.9
86.09686	4.8
91.05470	22.2
93.07031	14.5
95.04959	22.3
95.08598	8.2
97.02871	5.8
97.06499	5.0
97.10151	5.4
99.08068	1.6
100.96554	1.5
105.07019	18.7
107.04952	9.3
107.08567	8.6
109.06502	4.8
109.10119	4.4
110.07156	2.1
111.04400	2.3
111.08066	9.1
117.06979	2.4
119.04953	1.8
119.08559	16.3
120.08098	3.3
121.06468	5.8
121.10126	9.6
123.08019	2.8
125.09616	4.0
129.06978	13.2
129.10187	1.6
131.04944	1.6
131.08542	10.5
133.06458	3.9
133.10117	8.0
135.08089	1.8
135.11513	1.8
137.09616	2.5
142.07814	2.0
145.06479	3.2
145.10117	4.9
147.08032	4.2
147.11665	12.4
149.09607	7.8
157.10100	13.5
161.05917	1.7
163.11127	1.7
164.35269	1.4
165.12735	2.8
175.11133	12.5
177.05327	1.9
189.11105	1.5
193.12210	34.1
199.11203	1.6
205.12225	1.5
211.13223	13.8
249.14806	3.0
255.13783	2.4
267.15878	100.0
270.80966	1.3
273.14810	4.6
285.16956	15.2
349.21707	2.9
367.22723	8.4
385.23755	11.1
421.25690	1.5
433.25851	14.5
441.26215	7.5
459.27362	77.8
477.28427	50.8
478.28879	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.3967
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.9
55.01857	0.5
55.05502	1.9
57.03427	2.4
57.07059	0.3
61.02917	5.8
65.03939	0.3
67.05493	5.5
69.03418	3.6
69.07056	0.8
70.14753	1.0
71.01330	0.3
71.04988	0.6
73.02909	4.9
79.05485	5.0
81.03406	2.7
81.07048	4.5
83.04958	0.7
83.08604	1.0
84.20763	0.2
85.02892	7.3
86.09705	0.4
87.04476	0.6
89.06006	1.2
91.03943	4.0
91.05469	3.1
93.07029	5.0
95.04955	1.5
95.08606	3.3
95.09174	0.4
97.02877	5.3
97.06548	0.4
97.10132	0.4
99.04438	0.9
99.08066	0.3
101.02355	2.1
103.03931	0.6
105.07012	4.0
107.04967	0.3
107.08566	1.6
109.02856	1.0
109.06499	0.6
109.10149	1.5
111.08112	0.3
111.77233	0.2
115.03983	0.3
117.06980	0.6
119.08561	1.6
121.10120	3.0
123.08049	0.7
123.11694	0.5
125.09624	0.3
127.03913	1.8
129.05458	0.3
129.06996	0.3
131.08533	1.1
131.62038	0.2
133.08597	0.5
133.10123	1.2
135.11659	1.0
137.06000	0.3
145.04880	0.5
145.10127	1.0
147.08032	0.6
147.11700	0.9
149.09622	0.4
149.13292	0.4
151.07579	0.4
157.10114	0.4
159.11760	0.6
161.09558	0.2
161.13312	0.2
173.13255	0.5
175.11130	0.4
177.09337	0.2
177.11234	0.4
183.59833	0.2
184.07323	0.7
185.04286	0.7
193.12297	0.7
203.05363	0.4
211.13231	0.3
215.17978	0.3
243.08379	1.8
243.12283	0.2
251.12573	1.5
307.22742	0.8
335.25784	0.3
392.70331	0.3
394.33572	0.2
413.23163	0.2
465.74362	0.2
469.20438	4.1
469.27103	0.5
470.20926	0.4
491.26083	7.6
522.34717	0.3
528.13452	0.2
535.62354	0.2
580.11322	0.2
589.48730	0.2
705.03772	0.2
719.39612	100.0
720.40002	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	718.53
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30106	0.7
55.05498	2.0
57.03420	1.0
57.07066	31.3
60.04631	0.8
61.02893	0.7
66.80439	0.7
67.05490	2.8
68.46101	0.7
69.07051	2.5
70.79810	0.7
71.08620	22.1
71.60860	0.9
71.61591	0.8
73.02914	1.3
73.06551	9.8
79.05481	2.0
81.07023	2.1
83.08611	3.1
85.10169	19.7
85.81079	0.7
86.09692	0.9
87.04463	12.0
89.06019	100.0
90.06367	1.0
91.05477	1.9
91.07600	1.2
93.07040	1.5
95.04934	0.9
95.08596	2.3
97.10148	3.4
99.11730	4.2
105.07060	1.5
107.07037	5.3
107.08546	1.2
109.10128	1.4
111.11712	1.1
113.13255	1.3
114.09054	0.8
117.09129	8.4
119.08530	1.3
121.10145	1.8
130.08612	4.7
131.07027	3.4
133.08585	56.4
135.10216	1.2
155.17918	5.1
159.10115	0.9
161.11731	2.2
175.09677	2.3
177.11197	27.0
184.07330	1.1
194.56229	0.8
199.20576	2.8
211.07536	0.9
221.13824	5.9
227.22722	0.8
239.14944	1.9
240.23206	1.5
243.23152	8.7
265.16415	1.4
283.17526	2.8
287.25800	6.5
327.20068	1.7
335.25861	1.3
503.30267	1.1
547.33331	2.3
551.77045	0.8
701.50262	5.6
718.36652	1.1
718.52783	6.6
719.39441	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	714.5502
Annotation	Soyacerebroside I
Peak:m/z	Relative Intensity
53.03936	1.0
55.05258	0.4
55.05504	6.4
56.05033	4.2
57.07066	3.5
58.06591	0.9
60.04527	2.6
60.05647	0.3
63.73522	0.3
65.03923	0.8
67.04232	0.4
67.05499	11.7
68.05014	0.8
69.03413	0.8
69.06723	0.5
69.07062	7.4
70.06571	1.5
70.68923	0.4
70.69273	1.0
71.08626	1.9
77.03926	0.4
79.05055	0.7
79.05488	9.7
80.05003	2.7
81.03402	0.7
81.05771	1.4
81.06570	0.6
81.07049	11.3
82.06111	0.5
82.06570	7.5
83.08607	5.7
84.08142	0.7
85.02882	1.9
85.10152	0.8
91.05469	7.7
93.05770	0.4
93.07033	9.1
94.06556	18.7
95.04968	1.7
95.07336	7.7
95.08593	8.2
96.08117	6.1
97.02904	0.7
97.10172	2.4
105.07021	4.3
107.08581	5.1
108.08114	3.1
109.10147	3.1
111.11729	0.8
114.09180	0.3
117.06978	0.4
119.08562	6.3
120.08081	0.4
121.10136	6.1
122.09673	2.7
123.11693	1.1
124.11240	0.4
125.13283	0.4
127.03903	0.5
133.10104	3.9
135.10434	1.4
135.11671	2.9
136.11154	1.0
137.13246	1.0
147.10580	0.3
147.11606	1.6
149.13216	1.0
151.14795	0.6
156.65269	0.3
161.13225	0.9
163.14809	0.5
164.41159	0.3
175.14877	0.4
193.19490	0.8
220.20369	0.4
227.95749	0.4
233.22644	3.4
234.22112	0.6
245.22621	5.4
247.24051	0.4
250.25291	6.9
254.24817	0.7
262.25266	100.0
263.23236	0.9
263.25916	2.1
272.25821	5.6
280.26321	7.1
282.24313	0.3
312.25238	0.4
338.30844	0.4
341.26746	0.6
368.31918	0.5
442.31323	0.5
467.42740	0.3
504.47733	4.7
516.47711	32.6
517.47961	1.5
518.49286	5.5
534.48755	22.4
535.48999	1.3
599.50146	1.1
696.53906	7.6
697.54736	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.3292
Annotation	Glaberianthrone
Peak:m/z	Relative Intensity
54.35190	0.4
61.94048	0.3
67.05490	1.0
69.07063	0.7
70.01851	2.1
70.06591	0.5
74.86994	0.3
79.05479	0.4
81.03413	0.6
81.07037	0.8
82.06575	0.3
84.08133	4.0
85.08459	0.4
91.05493	0.5
93.07056	0.7
95.08600	0.7
98.21371	0.6
121.10128	0.6
128.10698	5.3
129.11090	0.8
129.35780	0.3
184.07329	0.6
189.00655	0.6
714.45258	0.6
715.32922	100.0
715.43762	3.9
716.33228	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	716.4565
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	2.2
55.01854	2.2
55.05499	12.1
57.03424	9.7
57.07061	2.0
57.28419	0.7
61.02900	3.0
67.05489	28.2
69.03418	1.0
69.07056	8.4
71.04959	3.1
73.02919	1.1
73.16870	0.7
79.05474	34.7
81.03395	2.0
81.07038	100.0
82.07372	0.9
83.04960	1.8
83.08613	5.8
85.02876	3.2
85.06507	1.2
89.06026	1.3
91.03935	0.9
91.05454	15.1
93.07024	27.3
95.04934	2.4
95.08585	20.2
97.02849	0.9
97.06506	6.6
97.10145	2.0
98.21502	1.9
99.08080	3.8
105.07010	9.3
107.04931	1.1
107.08572	18.4
109.06515	5.3
109.10133	10.2
111.08070	5.9
113.09644	1.0
117.06979	5.4
119.08555	8.8
121.10117	10.1
123.08043	1.6
123.11668	2.5
125.09593	4.2
127.07535	6.8
129.06963	2.3
131.08513	5.6
133.10110	5.3
134.10538	0.8
135.08054	6.5
135.11652	6.1
137.09599	3.0
141.09093	3.0
141.27618	0.8
143.08589	0.9
145.08574	3.1
145.10100	4.8
147.11697	4.4
149.13216	2.9
151.07512	1.0
153.09084	3.6
157.10086	1.6
159.11662	4.1
161.13235	2.5
163.14761	0.9
165.09067	1.0
169.19501	1.0
171.11613	1.1
173.13258	2.7
175.14726	1.1
177.40474	1.0
183.10191	1.0
183.11627	1.0
184.07306	1.4
185.11691	1.7
185.13266	1.7
187.14842	1.7
197.13147	1.2
199.14816	1.4
201.11307	1.2
213.16438	1.1
217.14259	0.9
227.12685	3.9
230.15465	1.0
259.15363	22.5
259.20486	1.5
261.22052	3.6
267.15912	1.0
271.20493	1.0
277.05203	0.7
285.16541	1.1
309.17548	0.9
309.24194	2.3
317.24576	1.2
333.24258	1.4
335.25757	24.7
336.26089	1.4
351.26797	2.1
363.25107	3.7
369.27826	4.5
387.28918	1.0
395.29376	2.0
443.31311	6.3
452.59955	0.8
461.32535	56.5
462.33060	1.9
469.33148	1.5
475.34125	1.0
487.34061	14.6
493.35129	1.9
505.34836	1.6
519.36725	34.0
520.36853	1.1
554.38483	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.5496
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	2.7
57.07064	32.8
58.29469	0.4
63.27710	0.4
67.05495	1.0
69.07052	4.3
69.34061	3.4
69.34479	0.9
71.08617	30.6
72.08954	0.4
73.02898	0.5
73.06542	9.6
73.82249	0.4
75.13005	0.4
79.05460	0.5
81.07046	0.8
83.08607	3.4
85.10165	17.7
86.10544	0.4
87.04452	10.6
89.06013	100.0
90.06345	1.1
90.90710	0.3
91.07568	1.1
93.07054	0.5
95.08580	0.6
97.10144	5.1
99.11706	2.8
102.35885	0.4
107.07034	4.0
111.11707	2.9
113.13280	2.1
115.07543	0.5
117.09113	9.2
125.13239	2.2
127.14823	1.3
130.08620	4.7
131.07019	3.3
133.08577	56.3
134.08890	0.6
135.10150	1.1
139.14806	0.7
141.16353	1.1
148.06157	0.4
151.09650	0.5
155.17899	0.8
159.10065	0.4
161.11703	2.6
175.09598	1.8
177.11189	24.9
197.22610	2.4
219.12180	1.0
221.11765	0.5
221.13776	5.6
223.15469	0.8
239.14848	2.5
241.25156	3.2
257.73318	0.4
265.16330	1.1
283.17508	3.1
285.27808	9.8
309.18912	1.0
313.60129	0.5
317.27249	0.4
327.19916	1.4
329.30447	5.3
353.21439	1.2
371.22711	0.7
385.56335	0.4
397.23965	0.5
415.25336	0.9
459.27579	0.5
479.39169	0.5
503.30328	3.0
678.44446	0.4
699.52380	7.3
700.52112	0.6
716.43555	0.6
716.55084	7.0
717.53979	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.3803
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	0.8
55.01864	0.6
55.05491	1.7
57.03419	1.5
57.07050	0.4
61.02913	4.2
67.05492	6.1
68.05821	0.5
69.03417	2.9
69.07061	1.4
69.43510	1.1
69.43936	2.8
71.01337	0.6
71.04989	1.1
73.02901	3.5
79.05480	5.0
80.05832	0.5
81.03400	2.1
81.07035	5.6
82.07374	0.7
83.04994	0.7
83.08599	0.7
85.02892	4.4
86.09729	0.4
91.03943	2.5
91.05467	4.5
92.05804	0.5
92.06531	0.4
93.07020	6.0
94.07387	0.6
95.04939	0.9
95.08601	3.6
96.08945	0.6
97.02874	3.6
97.06545	0.5
99.04412	0.6
101.02370	1.5
104.10712	0.3
105.07011	2.1
107.04948	0.6
107.08575	4.0
108.08998	0.4
109.02910	0.5
109.06477	0.6
109.10135	3.0
110.10470	0.8
115.03928	0.5
117.06990	1.9
119.08575	2.6
120.08910	1.0
121.06507	0.4
121.10109	2.3
125.09560	0.4
127.03915	1.1
131.08569	0.9
133.10101	1.3
135.08047	2.5
135.11711	1.4
137.09642	0.7
145.10103	0.7
147.11763	0.5
149.13184	0.4
153.09190	0.5
159.11720	0.4
163.07498	2.4
164.26186	0.4
185.04192	0.9
191.06807	0.7
199.09695	2.2
203.05231	0.5
221.07797	8.5
243.08405	2.6
257.13776	0.6
258.14084	0.7
267.15408	0.4
277.10550	1.4
285.45868	0.4
321.09238	0.4
335.25845	1.3
336.26257	0.7
337.26392	0.5
439.15747	9.7
444.14960	0.4
461.32669	0.5
462.32953	1.4
502.35986	0.5
518.35620	1.1
519.29260	5.9
519.36438	1.4
520.36731	3.4
536.50629	0.5
555.32977	0.5
717.38037	100.0
718.38617	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	714.4409
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02363	0.6
53.03934	1.8
55.01855	1.7
55.05500	9.3
57.03427	10.0
57.07058	1.2
61.02913	2.6
65.03927	2.0
67.05494	46.6
69.03411	1.7
69.07056	9.4
69.49566	5.4
71.04973	3.2
73.02908	0.8
76.84677	0.6
79.05482	26.2
81.03407	34.5
81.07043	36.5
82.03790	0.6
83.04952	3.5
83.08614	3.4
85.02415	0.8
85.02896	12.7
85.06513	0.8
85.81665	0.5
91.05466	62.9
93.07030	42.5
95.04947	3.9
95.08592	40.3
96.08924	0.9
97.02871	2.7
97.06512	2.7
97.10151	1.2
99.04434	0.8
99.08076	1.2
105.07026	8.6
107.04948	1.1
107.07852	0.8
107.08578	14.7
109.06516	1.3
109.10140	25.4
111.08066	1.4
115.05453	0.8
117.07005	5.5
119.08564	77.6
120.08902	1.7
121.06500	5.1
121.10126	13.9
123.08053	2.7
123.11706	3.6
129.06955	1.3
131.08545	3.9
133.10127	4.7
135.08043	1.7
135.11664	6.9
137.09598	37.3
137.13239	1.2
138.09969	1.2
145.10075	4.7
147.08046	5.0
147.11624	4.2
149.13228	3.2
149.65627	0.5
153.09065	1.1
157.10072	0.9
159.11714	3.7
161.13226	3.7
163.07556	0.9
163.14822	2.6
165.09087	29.5
166.09491	0.7
173.13290	2.6
175.14813	1.4
177.16298	0.6
183.10152	14.5
187.14848	1.1
199.09660	1.9
200.09889	0.7
224.07687	0.6
227.38206	0.6
233.22548	0.7
239.12730	11.7
243.21028	2.8
255.12334	1.7
257.13812	59.2
258.14246	1.2
261.22098	9.8
267.16055	0.9
278.22241	0.6
307.22552	0.8
317.24573	2.4
335.25745	73.9
336.26117	2.3
337.27039	0.8
389.28134	0.7
406.09238	0.6
407.29388	2.8
425.30524	1.4
443.31586	0.8
481.32910	1.2
499.34167	13.2
517.35181	100.0
518.35492	5.9
535.36072	1.6
665.79352	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	714.4407
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35592	0.8
53.03933	3.7
55.01860	3.5
55.05501	10.8
57.03430	17.0
57.07059	1.8
61.02908	5.8
65.03930	2.7
67.05492	62.2
68.34398	0.8
69.03430	4.6
69.07056	12.9
71.02414	2.0
71.04987	3.8
71.08619	1.3
73.02882	0.9
77.03899	0.9
79.05479	35.3
80.05841	1.0
81.03403	55.9
81.07041	46.3
83.04974	4.6
83.08603	6.7
85.02411	1.4
85.02892	18.2
85.06525	1.0
91.03937	2.2
91.05465	84.3
93.07025	60.4
95.04940	7.3
95.08591	55.4
97.02872	5.1
97.06508	3.9
97.10171	2.0
99.08066	1.1
103.03903	0.9
103.05458	0.8
105.07012	16.1
105.07664	1.3
107.04935	2.2
107.08574	18.8
109.06489	2.6
109.10139	30.3
111.08044	3.2
117.07008	8.1
119.08560	100.0
120.08895	1.4
121.06479	6.0
121.10125	22.5
123.08047	2.7
123.11678	5.6
125.09606	1.2
129.06978	4.3
131.08531	8.4
133.10112	9.3
135.08037	3.6
135.11668	10.3
137.09589	46.3
137.13210	1.7
139.11172	0.9
143.08574	1.6
145.04951	0.9
145.10101	8.1
147.08011	11.6
147.09079	1.3
147.11674	6.8
149.09628	1.6
149.13223	5.8
157.10143	1.9
159.11673	5.7
161.13211	4.2
163.14809	2.7
165.09085	38.9
171.11700	1.3
173.13231	5.1
175.11171	1.2
175.14778	1.6
177.16393	1.2
183.10136	17.6
183.11748	1.1
184.00217	0.8
185.13191	0.9
187.14784	1.9
193.12227	1.1
199.14839	1.2
201.16266	1.3
211.13202	1.3
215.17958	0.9
233.18958	0.9
233.22733	1.5
239.12738	20.0
243.21075	5.4
255.89001	0.8
257.13794	86.3
258.14212	1.8
261.22098	16.6
262.22543	1.1
267.15863	2.4
285.16818	3.3
307.22696	5.5
317.24780	4.6
327.23264	0.9
335.25732	92.2
336.26172	2.4
337.89047	0.9
389.27759	1.2
401.26645	1.3
407.29385	4.0
425.30411	3.7
443.31018	1.0
450.96262	0.9
481.32837	1.2
499.34131	16.7
517.35168	78.1
518.35400	3.3
535.35999	1.3
632.70306	0.8
699.09454	0.9
714.42340	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	712.4409
Annotation	Pinnatoxin A
Peak:m/z	Relative Intensity
53.03934	1.5
55.01862	0.8
55.05500	3.9
56.05032	0.7
57.03418	1.0
65.03924	1.0
66.63567	0.4
67.04236	0.9
67.05489	7.6
69.03429	2.8
69.07051	2.6
69.77190	1.4
69.77614	1.6
70.06582	10.0
71.04978	10.9
71.05357	0.8
79.05050	0.7
79.05482	7.8
80.05009	1.3
81.03411	3.1
81.07046	7.4
82.06565	34.6
83.04947	0.6
83.06921	0.7
83.08610	1.0
84.08131	41.1
85.02897	2.6
91.05460	4.1
93.07027	9.3
95.04956	1.4
95.08591	5.2
96.08081	0.7
97.02894	1.7
97.06535	1.3
97.10137	0.4
98.09690	1.8
98.20719	0.6
99.04436	1.0
100.07602	20.2
105.06987	2.6
107.04939	30.0
107.08587	3.9
109.02886	1.3
109.06536	0.7
109.10155	2.1
111.08089	1.8
117.06994	0.9
119.08549	2.7
121.06503	0.7
121.10143	3.7
122.09621	2.1
123.08063	0.8
123.11674	0.5
124.11234	3.4
126.09148	4.8
127.03900	0.8
131.08543	1.4
133.10097	2.0
135.11670	2.1
137.09515	0.4
140.10715	1.0
145.10193	0.6
147.11667	0.7
149.05991	1.0
149.13228	0.7
159.11699	0.9
163.14937	0.6
173.13312	0.6
189.12784	0.4
199.11261	1.0
203.10672	0.7
216.55287	0.4
217.10355	0.4
217.12128	2.3
228.13892	1.0
246.14815	6.7
246.16917	0.6
246.64304	0.4
261.22141	0.5
272.16467	2.3
290.17438	4.6
571.47943	0.5
668.41351	1.5
687.73901	0.5
694.43158	5.5
695.42798	0.6
712.44055	100.0
713.44434	11.6
714.41235	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	714.441
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02357	0.6
53.03936	2.6
55.01860	1.3
55.05260	0.9
55.05504	13.5
57.03177	0.7
57.03431	10.5
57.07067	0.8
58.53600	0.5
59.04977	0.5
61.02903	1.9
65.03928	1.3
67.05495	31.6
68.05827	0.6
69.03425	3.2
69.07054	7.5
69.76466	1.5
69.76880	1.9
71.04981	2.9
73.02898	0.8
77.03910	0.6
79.05481	33.8
81.03406	34.1
81.07045	31.8
82.07357	0.9
83.04967	7.6
83.08605	13.8
85.02893	13.8
85.06513	1.6
91.03941	0.5
91.05463	22.3
93.07031	34.2
94.07360	1.2
95.04957	14.2
95.08597	19.7
97.02879	2.3
97.06509	2.5
97.10160	2.9
99.04488	0.6
99.08068	1.5
105.07021	14.1
107.04954	3.5
107.08585	11.3
109.06510	3.2
109.10138	9.7
110.44869	0.5
111.04423	1.3
111.08064	6.6
113.06005	0.9
115.05437	0.8
117.07005	3.4
119.08563	15.9
120.08907	0.7
121.06479	1.1
121.10123	21.3
122.10444	0.8
123.08064	1.5
123.11703	3.1
125.09591	1.5
129.06996	5.1
131.08556	9.1
133.06456	1.3
133.10112	8.5
135.08035	0.8
135.11674	8.9
136.12042	0.8
137.09586	2.3
137.13229	1.2
142.07759	1.4
145.10123	5.1
147.08090	1.3
147.11670	9.5
149.09572	3.6
149.13222	3.3
151.11176	0.7
154.13097	0.5
157.10095	6.2
157.11276	0.9
159.11702	2.7
161.13293	1.2
163.11157	2.5
164.11531	0.8
165.09160	0.6
165.12747	1.5
173.13232	3.3
175.11156	7.6
187.14705	1.0
193.12216	22.4
194.12506	0.7
211.13251	25.9
212.13664	0.9
215.17938	6.5
227.12764	1.5
228.13145	0.8
233.18977	6.5
257.13879	1.3
266.09729	0.6
267.15851	5.8
273.22104	0.7
283.15399	1.3
284.15771	1.5
285.16937	32.1
286.17215	1.0
307.22626	59.6
308.22922	4.1
309.23358	1.4
335.25806	1.5
407.29642	0.6
425.30591	0.9
481.33008	0.7
489.77676	0.5
499.34146	6.0
517.35168	100.0
518.35590	6.6
526.74561	0.5
714.41882	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	712.4409
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.5
55.01862	0.8
55.05500	3.9
56.05032	0.7
57.03418	1.0
65.03924	1.0
66.63567	0.4
67.04236	0.9
67.05489	7.6
69.03429	2.8
69.07051	2.6
69.77190	1.4
69.77614	1.6
70.06582	10.0
71.04978	10.9
71.05357	0.8
79.05050	0.7
79.05482	7.8
80.05009	1.3
81.03411	3.1
81.07046	7.4
82.06565	34.6
83.04947	0.6
83.06921	0.7
83.08610	1.0
84.08131	41.1
85.02897	2.6
91.05460	4.1
93.07027	9.3
95.04956	1.4
95.08591	5.2
96.08081	0.7
97.02894	1.7
97.06535	1.3
97.10137	0.4
98.09690	1.8
98.20719	0.6
99.04436	1.0
100.07602	20.2
105.06987	2.6
107.04939	30.0
107.08587	3.9
109.02886	1.3
109.06536	0.7
109.10155	2.1
111.08089	1.8
117.06994	0.9
119.08549	2.7
121.06503	0.7
121.10143	3.7
122.09621	2.1
123.08063	0.8
123.11674	0.5
124.11234	3.4
126.09148	4.8
127.03900	0.8
131.08543	1.4
133.10097	2.0
135.11670	2.1
137.09515	0.4
140.10715	1.0
145.10193	0.6
147.11667	0.7
149.05991	1.0
149.13228	0.7
159.11699	0.9
163.14937	0.6
173.13312	0.6
189.12784	0.4
199.11261	1.0
203.10672	0.7
216.55287	0.4
217.10355	0.4
217.12128	2.3
228.13892	1.0
246.14815	6.7
246.16917	0.6
246.64304	0.4
261.22141	0.5
272.16467	2.3
290.17438	4.6
571.47943	0.5
668.41351	1.5
687.73901	0.5
694.43158	5.5
695.42798	0.6
712.44055	100.0
713.44434	11.6
714.41235	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	712.4416
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.3
55.05511	3.9
55.71140	0.4
56.05019	0.5
56.96599	0.4
57.03423	0.6
57.07060	0.5
66.02830	0.4
67.04230	1.1
67.05495	8.3
69.03422	3.3
69.07060	2.1
70.06582	8.6
71.04984	11.9
71.62825	0.6
73.02914	0.7
79.05484	7.9
80.05022	1.0
81.03410	3.6
81.07045	7.2
82.06567	34.8
83.05015	0.8
83.08630	0.9
84.08131	42.4
85.02900	2.8
91.05463	4.5
93.07030	9.6
95.04958	1.6
95.08590	5.4
96.08153	0.5
97.02888	2.2
97.06512	1.4
98.09688	1.4
98.15807	0.4
99.04462	1.3
100.07079	0.3
100.07603	20.0
105.07018	2.3
107.04937	31.5
107.08572	4.7
108.05267	0.7
109.02844	1.6
109.06495	0.5
109.10136	2.4
111.08075	1.5
117.07015	0.7
119.08564	2.4
120.08081	0.7
121.06489	0.8
121.10133	3.6
122.09651	1.4
123.08039	0.7
123.11699	0.7
124.11205	3.2
125.93686	0.5
126.09143	2.9
127.03902	1.2
129.06969	0.4
131.08522	2.1
133.10094	2.4
135.11661	2.0
145.10103	1.4
147.11632	0.9
149.05965	1.5
149.13184	0.9
161.09639	0.5
161.13283	0.8
174.93825	0.4
184.07289	0.6
199.11174	0.9
203.10678	0.8
217.12302	2.2
228.13866	1.0
246.14867	8.0
247.15260	0.4
272.16348	2.9
290.17435	5.1
465.55518	0.4
537.24249	0.4
668.41394	0.9
694.43079	5.0
695.42822	0.4
712.44049	100.0
713.32068	0.8
713.44427	13.5
719.76660	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	712.4257
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	0.4
53.03915	1.1
55.01860	4.2
55.05502	8.1
56.57619	0.3
57.03428	7.5
57.07067	1.5
58.64086	0.3
61.02913	1.0
65.03919	1.4
67.05494	31.2
68.05826	0.4
69.03421	1.8
69.06713	0.5
69.07056	6.7
69.65969	1.6
69.66383	0.5
71.04984	3.3
71.08621	0.4
73.02882	0.3
79.05480	34.9
80.05810	0.5
81.03384	1.1
81.07044	24.5
83.01326	0.8
83.04981	2.0
83.08595	3.2
85.02872	2.2
85.06507	1.6
86.09678	0.9
91.05463	14.7
93.03389	0.7
93.07029	28.1
94.07341	0.5
94.26522	0.3
95.01305	0.4
95.04962	2.4
95.08591	19.2
97.02882	5.5
97.06516	1.3
97.10143	1.1
98.21486	0.4
99.00795	1.5
99.04438	8.8
99.08071	0.6
103.05423	0.7
105.07019	7.0
107.04935	11.4
107.08577	39.5
108.08912	0.4
109.02860	0.9
109.06518	1.7
109.10139	8.4
111.04420	1.8
111.08037	1.1
115.05436	1.5
117.07000	26.5
119.04920	0.8
119.08558	5.6
121.06494	9.9
121.10117	8.1
123.08073	0.4
123.11676	2.7
124.99977	0.6
125.09621	3.2
131.08539	3.6
133.06529	0.6
133.10112	4.0
135.08029	47.8
135.11650	6.5
136.08394	1.1
137.09540	1.1
137.13219	0.8
145.06461	5.3
145.10097	3.1
147.11682	2.3
149.13213	3.8
153.09077	7.5
159.11671	2.1
161.13226	2.1
163.07513	45.4
163.14757	2.4
164.07910	0.8
173.13249	2.2
175.14793	0.6
177.16357	1.0
181.08560	10.2
184.07309	3.6
187.14816	1.4
199.09621	68.1
200.09920	1.2
201.16422	0.4
202.40361	0.3
231.62683	0.3
233.22676	0.4
240.11012	0.3
243.21033	4.4
255.12233	100.0
256.12537	2.3
261.22119	14.9
262.22403	0.6
293.34012	0.4
299.23520	0.4
317.24707	2.9
335.25745	61.3
336.26205	2.3
346.79413	0.3
423.28766	0.6
441.30048	0.9
515.33618	52.8
516.33789	2.3
533.34766	1.5
571.46924	0.7
618.83936	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	712.4251
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01811	0.3
53.03935	2.1
55.01841	1.3
55.05502	10.4
57.03426	8.0
57.07061	1.6
61.02890	1.0
64.95981	0.3
65.03899	1.1
67.05492	30.2
69.03394	0.9
69.07057	7.8
70.40768	0.3
71.04966	1.9
71.05470	0.5
71.05799	0.5
73.02894	0.8
78.09283	0.3
79.05477	34.2
81.03381	1.5
81.07042	28.1
83.04973	2.5
83.08137	0.6
83.08604	7.4
84.65219	0.3
85.02863	1.1
85.06519	1.9
91.05464	13.2
93.07027	43.5
95.04949	6.0
95.08589	35.2
97.02855	2.3
97.06528	2.9
97.10130	0.7
99.04446	2.8
99.08057	1.5
103.05441	0.7
105.04478	0.3
105.07011	9.1
107.04947	4.0
107.08576	23.0
109.06536	1.9
109.10134	7.6
111.04418	1.0
111.08032	1.1
113.06007	0.5
113.09602	0.5
115.05424	0.4
117.06987	7.9
119.08560	9.4
121.06498	3.4
121.10123	20.2
123.08030	0.9
123.11685	2.1
123.98138	0.3
125.05956	1.3
125.09589	0.9
125.11488	0.3
126.69154	0.3
127.07501	0.4
129.05441	0.4
129.06961	0.8
130.07747	1.2
131.08528	4.7
133.10107	5.5
135.08008	1.5
135.11668	34.7
137.09581	0.8
137.13191	0.5
139.07513	1.2
139.11073	0.7
143.08504	0.9
144.09341	0.4
145.06393	0.5
145.10098	19.1
147.11679	2.3
149.09575	1.0
149.13246	3.7
151.11087	0.4
153.12721	0.5
159.11674	2.4
161.13220	1.0
163.11153	38.5
164.11481	0.7
173.09645	0.7
173.13185	2.2
175.14742	0.4
181.12193	5.7
185.13226	0.4
191.17804	0.3
205.19406	0.6
209.11765	0.7
215.17915	7.7
215.19887	0.6
227.12741	44.9
228.13113	0.5
233.18979	8.3
255.12299	0.7
266.78592	0.4
270.97430	0.3
283.15350	54.8
284.15753	0.4
289.21664	1.1
307.22614	100.0
308.22900	2.0
310.18234	0.3
343.87411	0.3
355.78998	0.4
441.29639	0.6
515.33618	77.6
516.34039	3.5
533.34741	0.5
607.48822	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	710.4461
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	3.7
55.05501	10.2
56.66679	0.9
57.07068	1.6
61.02905	1.0
65.03921	2.5
67.05493	33.1
69.03403	0.9
69.07056	6.9
71.05001	1.7
71.58288	1.5
79.05477	42.6
81.03413	4.1
81.07046	25.7
83.04973	5.3
83.08607	5.1
85.06515	2.0
87.41436	0.9
91.05463	27.9
91.19313	0.9
93.07024	43.4
95.04955	9.8
95.08591	22.4
97.02862	1.0
97.06503	2.6
97.10141	2.2
99.08080	1.4
105.04495	1.0
105.07013	18.5
107.04935	2.5
107.08570	12.4
109.06505	3.2
109.10110	5.4
117.06984	5.8
119.08551	13.6
121.06474	1.5
121.10123	12.0
123.08060	3.6
123.11685	1.6
125.09634	1.2
127.50306	0.8
129.06979	5.4
131.08528	6.0
133.10094	8.4
135.08009	1.1
135.11662	6.3
137.09601	1.1
140.24406	1.0
141.94841	0.8
143.08566	4.0
145.10085	6.0
147.08043	1.6
147.11652	14.1
147.71489	0.9
149.13297	2.4
159.11729	2.1
161.09625	1.6
161.13190	4.9
163.54129	0.8
171.11647	8.4
173.13246	1.3
179.80278	0.8
180.88164	0.9
185.13194	0.9
189.12718	3.3
207.13737	8.1
214.41078	0.9
215.17889	4.5
225.15097	1.0
233.18990	5.3
253.14429	2.9
254.14175	0.9
281.17416	25.5
290.29971	0.8
290.48587	0.9
302.02106	1.0
307.22601	44.7
308.22989	2.1
313.27084	0.9
472.80121	0.9
513.35675	100.0
514.35846	6.0
531.36658	1.3
538.38098	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	712.4252
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	1.0
53.00287	0.8
53.03939	3.2
54.14375	0.9
55.01862	7.2
55.05503	19.9
57.03146	0.8
57.03428	14.8
57.07074	4.8
59.04993	1.8
61.02913	6.9
65.03919	2.2
67.05495	45.1
69.03419	3.3
69.07053	9.9
70.80540	0.8
70.80879	2.1
71.01340	0.7
71.04977	5.9
73.02904	2.6
79.05481	50.5
81.03403	10.5
81.07044	44.6
83.01339	6.4
83.04969	10.0
83.08602	13.9
85.02901	9.0
85.06542	3.8
85.78450	0.7
91.03941	3.4
91.05469	26.4
93.07029	58.7
95.04958	9.4
95.08595	31.5
97.02871	5.0
97.06517	5.5
97.10164	3.1
99.04436	2.8
99.08084	3.6
105.07011	18.9
105.82446	0.7
107.04963	6.5
107.07850	1.4
107.08580	27.1
109.06520	5.9
109.10136	13.2
111.04440	2.5
111.08077	3.0
117.06997	12.2
119.08561	16.4
121.06507	4.2
121.10128	28.4
123.08049	8.0
123.11707	4.8
125.05972	1.5
125.09628	2.9
129.05478	1.4
129.06987	2.3
130.07747	1.8
131.08548	13.9
133.10114	13.0
135.08038	3.0
135.11670	29.1
137.06116	1.1
137.09644	1.9
137.13269	1.0
139.07503	1.0
139.11227	0.9
143.08595	1.4
145.06487	1.4
145.10103	20.1
147.08057	2.9
147.11670	7.1
149.09583	2.1
149.13237	8.1
151.11177	2.0
153.12718	2.2
155.08528	2.2
157.10155	1.3
158.07309	0.9
159.11661	7.6
161.13251	1.9
163.11160	19.6
169.10089	0.8
171.11649	1.6
173.09590	2.4
173.13249	7.1
173.74487	0.8
175.14835	0.9
181.12227	2.9
184.07365	2.4
185.13290	0.9
187.14790	2.4
189.11234	1.5
189.16344	1.4
191.10692	3.5
193.12149	1.2
205.19467	1.8
209.11687	5.9
213.16426	1.3
215.17934	22.3
215.19887	1.5
227.12729	7.9
231.17294	1.8
233.18964	22.4
245.18904	1.2
251.20250	1.1
253.19354	1.0
255.17722	0.8
271.20618	2.9
283.15353	100.0
284.15802	2.9
289.21664	2.3
295.03595	0.9
307.22632	93.2
308.23029	2.5
332.33105	1.1
335.25934	1.2
405.27725	2.7
405.43481	0.8
423.28912	2.9
441.30130	1.4
459.31067	1.4
487.34293	1.3
497.32401	5.1
504.50165	0.8
515.33612	68.1
516.33832	2.9
533.34625	2.7
571.46887	3.2
605.33960	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	710.4463
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	3.2
55.01859	2.9
55.05503	12.5
56.50605	1.0
57.03422	12.0
57.07069	1.4
65.03922	1.8
67.05495	53.7
69.03399	3.4
69.07066	10.7
70.75984	1.4
70.76317	3.1
71.04973	2.7
72.38945	1.2
79.05482	34.7
81.03404	11.8
81.07049	38.4
83.04968	12.1
83.08602	7.9
85.02873	1.3
85.06526	4.0
85.94434	1.0
91.05470	100.0
93.07031	31.4
95.04961	7.8
95.08596	23.2
97.02882	5.0
97.06510	4.6
97.10130	1.1
98.26807	1.2
100.60229	1.1
105.07022	42.7
107.04950	7.5
107.08588	20.2
109.06477	3.1
109.10159	10.7
111.08067	2.1
117.07011	12.6
119.08562	20.9
121.10134	13.1
123.08066	2.1
123.11683	4.4
128.06186	3.7
131.08554	14.2
133.06487	1.3
133.10115	34.1
135.08067	3.6
135.11687	8.3
137.09610	2.1
137.13225	1.7
143.08565	6.9
145.06509	1.5
145.10120	6.0
147.08096	1.6
147.11679	3.1
149.09619	9.1
149.13251	4.8
151.11156	3.2
159.07948	1.3
159.11676	4.8
161.09622	15.1
161.13211	2.7
163.14836	2.9
171.11664	2.1
173.13188	3.2
177.09055	2.2
179.10672	10.6
183.11639	1.3
197.11671	2.8
212.59695	1.2
239.21249	1.2
243.21077	3.5
251.12732	5.0
253.14330	88.0
255.15929	1.2
261.22055	11.1
317.24741	2.1
333.24234	2.3
335.25751	42.9
421.31070	2.2
495.34778	1.5
513.35730	80.6
514.35706	2.6
514.99103	1.1
521.38409	2.0
531.36523	4.6
595.46869	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	709.3172
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	3.8
55.05495	0.6
57.03410	0.4
59.72372	0.3
65.03923	0.4
67.05510	1.8
68.22243	0.3
68.99794	0.3
69.03431	1.7
69.07061	4.6
70.06577	2.8
70.78027	0.8
71.04974	1.1
72.08126	1.2
72.08498	0.3
74.06054	0.3
75.73082	0.3
79.05482	2.2
81.03407	2.1
81.07050	3.8
82.06560	0.6
83.04944	0.6
84.04488	0.6
84.08125	1.6
85.02884	0.6
85.06533	2.4
86.09206	0.3
86.09694	1.8
91.05470	1.3
92.04959	0.3
93.07030	5.3
94.06572	1.5
95.04963	1.4
95.08602	3.7
96.08112	0.3
97.06524	3.6
98.06009	0.5
99.04442	2.8
105.07026	5.3
106.06525	0.6
107.04950	0.9
107.08580	13.1
108.08126	0.4
109.02859	2.1
109.06507	2.8
109.10107	0.3
110.06028	4.6
111.08053	1.1
112.07581	1.0
113.05994	1.5
113.96554	0.3
116.04974	0.4
117.07035	0.3
119.08539	1.4
120.04453	6.9
120.08069	0.5
121.05208	0.6
121.05700	0.3
121.06483	3.4
121.10123	5.7
122.06013	3.3
123.08067	2.3
124.07570	3.8
125.05954	0.6
127.04031	0.3
127.07563	0.5
129.05428	0.3
129.10271	0.6
131.08548	0.5
134.06001	1.7
135.08026	1.4
135.11685	2.8
136.07542	1.0
138.05478	0.6
139.11125	0.9
140.07050	7.5
141.07837	6.9
142.08618	16.9
143.11794	0.4
144.04428	0.7
145.10097	4.6
147.11633	1.3
149.09608	3.0
151.07529	3.5
154.08611	1.8
157.08606	0.4
162.05481	100.0
163.05919	2.1
163.11157	13.8
164.07027	1.2
167.10657	6.2
169.08577	39.5
171.11302	0.3
173.09581	1.5
181.12209	6.8
183.13770	0.4
185.11697	2.2
191.10652	9.0
209.11710	6.5
215.86887	0.3
216.06447	0.4
216.10194	1.7
217.13295	0.8
227.12753	68.1
228.13116	1.0
230.08098	0.8
243.11285	1.9
244.09615	0.8
245.13820	2.1
258.11276	2.6
261.12292	6.0
279.13394	2.6
285.12323	1.7
286.10727	1.8
291.00870	0.3
303.13351	49.6
304.13675	0.8
321.14447	0.6
344.15942	1.2
353.15790	1.8
371.16937	7.0
389.13025	0.7
389.17984	10.3
407.19092	0.8
517.11200	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.3702
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03596	0.3
51.30936	0.3
51.83412	0.3
67.05489	1.0
71.57479	0.5
79.05481	0.8
81.07027	0.5
84.00210	0.3
91.05464	0.8
95.08597	0.7
105.07043	0.6
107.08617	0.4
119.08530	0.5
122.60302	0.3
131.08499	0.3
133.10202	0.3
162.04132	0.3
244.21179	0.4
256.26801	0.5
347.09509	1.3
365.10669	0.4
500.92181	0.3
503.33459	0.4
504.34006	1.1
539.31824	21.7
540.32141	0.9
701.37036	100.0
702.37585	6.1
707.70752	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	702.5347
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	2.7
57.07066	35.2
67.05492	2.9
69.07056	3.8
71.04966	0.7
71.08620	28.3
73.02895	0.8
73.06541	8.9
75.86682	0.5
79.05487	1.2
81.07022	1.2
83.08613	2.8
85.10168	18.5
85.10648	1.3
86.09695	2.4
87.04453	9.9
89.06017	100.0
90.06351	0.8
91.07585	1.2
93.07050	1.9
95.08597	1.4
97.10155	2.6
99.11726	3.4
107.07045	5.5
109.10083	0.6
111.11718	2.9
113.13274	2.7
117.09114	8.4
119.08585	0.8
124.99998	1.7
125.13246	1.4
127.14800	1.6
129.06944	0.6
130.08630	5.3
131.07050	2.2
133.08580	52.9
134.08948	0.8
135.10117	1.3
161.11731	2.8
175.09662	1.2
177.11197	25.2
183.21036	5.0
184.07292	8.4
205.14310	0.8
219.12260	0.8
221.13829	6.2
223.15431	0.9
227.23625	1.7
239.14993	1.9
248.16046	0.6
265.16589	0.8
271.26312	8.7
283.17453	2.8
309.18835	1.0
315.28955	6.3
325.72412	0.7
327.20120	2.0
336.39078	0.6
371.22595	1.0
415.25198	0.8
441.26544	0.7
459.27921	1.3
503.30740	3.2
541.38654	0.7
641.48450	1.2
685.51062	6.9
702.53766	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	702.5349
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	2.0
57.06778	1.7
57.07067	51.5
67.05501	3.7
69.07066	7.5
71.08620	51.9
71.41216	1.0
71.63762	1.1
73.02894	1.5
73.06551	10.7
79.05478	1.3
81.07034	2.2
82.08455	1.1
83.08603	4.0
85.10170	32.9
86.09693	4.5
87.04469	11.5
89.06020	100.0
91.05468	1.5
93.07023	1.9
95.08593	1.9
97.10162	3.5
99.11722	6.9
105.07022	1.4
107.07055	4.2
111.11692	5.1
113.13266	7.9
117.09127	9.6
124.99980	1.9
125.13249	1.6
127.14803	3.6
127.93127	0.9
130.08612	5.1
131.07040	3.3
133.08586	62.6
145.82355	1.1
161.11708	4.2
175.09697	2.9
177.11195	30.9
183.21094	1.2
184.07321	15.4
185.46249	1.0
221.13799	7.3
227.23695	2.5
239.14851	3.9
265.16348	2.2
271.26361	5.0
283.17493	3.8
315.28894	7.6
323.99734	1.1
327.20181	2.1
397.24573	1.2
503.30396	5.2
685.50952	12.1
702.53906	10.5
703.39484	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.2117
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05488	0.3
63.02378	0.5
65.03928	0.2
66.55443	0.2
67.05486	0.7
69.03413	0.2
69.07059	0.3
70.06565	0.5
71.27066	0.4
72.08152	0.2
78.04710	0.4
79.05480	0.6
81.03407	0.6
81.07043	0.7
83.04974	0.4
83.08596	0.4
84.08109	0.3
85.02930	0.3
86.09698	0.3
89.03900	5.4
91.05470	0.9
93.07050	0.4
95.04960	0.6
95.08572	0.2
97.10151	0.2
102.04688	0.9
103.05446	0.7
105.07020	1.2
106.04122	0.2
107.04938	0.4
107.08614	0.3
109.10139	0.2
110.07153	0.2
110.58567	0.2
115.05451	0.2
117.03362	15.6
118.03706	0.2
119.04945	0.6
119.08585	0.4
120.08038	0.2
121.10153	0.2
124.05132	0.3
130.04137	2.0
131.04900	1.9
131.08548	0.3
131.48952	0.2
133.02855	0.2
133.06468	0.8
133.10155	0.2
134.03563	1.3
135.04396	1.5
137.05948	0.3
145.02824	43.0
146.03258	0.7
147.04410	3.3
147.11652	0.2
149.05962	6.7
150.06737	0.3
158.05994	0.4
161.05974	2.5
162.03156	0.2
162.06744	9.0
163.03925	0.8
163.07486	0.7
171.04378	0.2
177.05444	100.0
178.05817	1.7
186.05479	2.2
189.06979	0.2
193.12198	0.3
199.04012	0.2
211.13246	0.3
217.04880	0.2
235.07597	0.3
246.24324	0.3
247.24741	0.2
285.16815	0.3
286.16989	0.2
291.06537	0.4
309.07510	0.6
323.09076	2.1
341.10187	0.4
416.48273	0.2
441.87289	0.2
511.29037	0.2
685.14215	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	698.4462
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62917	1.5
53.03939	2.8
55.01854	2.9
55.05499	15.6
57.03429	17.9
57.07060	2.5
61.02901	5.6
61.89840	1.4
65.03915	2.4
67.05497	57.8
69.07054	19.3
69.64749	6.1
69.65180	5.1
70.00175	1.7
71.01329	4.8
71.04963	3.4
71.08617	2.0
73.02887	2.5
79.05482	51.2
81.02992	1.9
81.03406	13.6
81.06568	3.0
81.07040	53.9
83.04958	10.1
83.08615	8.4
83.09045	1.6
85.02877	8.2
85.06522	4.8
91.03951	1.7
91.05466	26.8
93.07030	72.2
95.04953	6.5
95.08591	47.2
97.02858	3.1
97.06505	5.1
97.10183	2.8
99.08069	3.5
105.07005	17.1
107.04936	4.8
107.08581	26.6
109.10137	18.8
110.62718	1.4
117.07000	2.8
119.08556	11.3
121.06535	2.1
121.10125	50.6
123.07988	3.4
123.11671	3.3
125.09565	3.0
129.06993	2.0
131.08545	19.1
133.10112	9.2
135.11671	9.7
137.09529	1.6
139.11122	4.4
145.10092	6.5
147.11671	4.4
149.09596	11.2
149.13210	5.3
159.11676	4.6
161.13240	4.4
163.14795	3.4
167.10626	17.6
171.11623	2.1
173.13251	4.3
177.16429	1.5
187.14708	2.4
201.22592	1.5
227.12630	2.0
227.20114	3.1
228.97124	1.5
239.12683	3.2
241.14302	100.0
243.21181	3.9
261.22153	12.5
277.21722	1.5
317.24777	4.4
335.25735	92.8
336.26239	2.3
369.97678	1.8
384.78964	1.6
391.29724	1.9
409.31052	4.4
427.32050	2.4
482.34116	1.6
483.34628	2.5
501.35654	88.8
502.35880	4.8
519.36664	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	699.3551
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21019	0.2
50.79779	0.1
60.98367	0.2
67.05491	0.5
71.63013	0.3
79.05468	0.2
81.07053	0.4
85.02911	0.2
85.55177	0.2
95.08588	0.4
105.07024	0.3
109.75177	0.2
110.07130	0.2
121.10130	0.2
185.04216	0.7
203.05257	1.5
207.63896	0.2
259.07941	1.3
263.79904	0.2
305.08475	0.5
347.09491	1.1
360.66461	0.5
365.10519	3.6
421.13184	1.3
537.30298	18.7
538.30450	1.0
539.75153	0.2
699.35492	100.0
700.35803	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	700.4461
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48764	0.3
53.39504	0.3
55.01862	0.4
55.05252	0.4
55.05497	4.9
57.03429	4.2
57.07062	37.9
61.02911	14.8
67.05488	10.2
69.03412	2.1
69.03738	0.4
69.07050	7.8
69.77708	2.5
71.04964	0.8
71.08616	31.6
73.02898	5.2
75.04466	2.7
79.05468	1.2
81.03397	1.0
81.06568	0.8
81.07040	16.5
83.04970	0.4
83.08126	0.6
83.08602	10.2
85.02885	17.8
85.06516	0.5
85.10162	19.4
86.09669	1.0
87.04419	0.4
89.05991	1.1
91.03931	16.4
91.05472	0.6
93.07020	1.3
95.08582	24.2
96.08920	0.4
97.02864	8.7
97.06509	0.3
97.10147	11.1
98.20823	0.7
99.04429	1.1
99.11714	2.0
102.14954	0.4
103.07571	0.6
107.08541	0.7
109.02855	0.8
109.10131	12.2
111.11698	4.6
113.13295	0.8
115.03918	0.6
117.09118	0.4
121.10077	0.5
123.11678	6.2
125.13200	0.9
125.92800	0.4
127.03886	6.3
135.11690	0.4
137.13242	2.9
145.04932	8.6
151.14778	0.7
154.78455	0.4
163.05980	14.2
168.42747	0.3
173.70718	0.4
184.07317	2.3
204.08629	0.5
205.70644	0.3
243.12216	0.4
249.25706	0.9
267.26767	19.4
268.27005	0.6
285.27838	3.6
326.30380	1.0
335.25601	0.5
341.30426	100.0
342.30771	2.8
359.31470	44.5
360.31830	1.3
503.35699	0.9
700.44965	0.4
701.38226	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	700.4464
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	0.8
55.05500	4.6
57.03434	5.4
57.07066	35.7
58.07385	0.3
58.61665	0.4
60.05646	1.9
60.05874	0.3
61.02916	11.0
61.19925	0.4
67.05492	11.8
69.03418	2.0
69.06673	0.5
69.07053	7.8
71.04967	1.0
71.08617	31.9
71.63648	0.5
73.02899	5.1
73.04437	0.3
75.04463	2.5
79.05482	2.0
81.03382	1.1
81.07040	18.0
82.07381	0.4
83.04948	0.4
83.08128	0.7
83.08598	9.6
85.02887	14.0
85.06519	0.5
85.10166	17.9
86.10471	0.4
86.84185	0.4
88.36509	0.4
89.05991	1.1
91.03391	0.8
91.03934	12.7
91.05434	0.9
93.07012	2.2
95.04902	0.5
95.08587	25.5
97.02870	6.5
97.09526	0.6
97.10151	10.3
99.04414	1.1
99.08119	0.4
99.11697	1.7
101.05991	0.4
103.07605	0.8
105.07012	0.8
107.08560	1.2
109.02861	0.7
109.10134	11.6
111.11708	5.0
113.13229	0.8
115.03912	1.0
117.07000	0.4
119.08526	0.5
121.10114	1.1
123.08070	0.6
123.11676	5.6
125.13270	0.7
127.03892	5.0
127.14732	0.5
133.10164	0.5
135.11685	0.8
137.13234	2.5
145.04944	5.7
145.10127	0.5
149.13225	0.6
151.14784	1.2
159.11554	0.5
163.05981	10.3
163.07346	0.5
173.13164	0.4
175.76399	0.4
177.16238	0.4
184.64882	0.4
193.19572	0.5
203.82048	0.4
214.31873	0.4
243.12282	1.1
249.25755	1.1
267.26767	18.8
271.15356	1.6
285.27750	3.3
307.22711	1.4
326.30466	0.9
335.25873	1.1
341.30429	100.0
342.30856	2.7
359.31479	35.6
360.31723	1.0
503.35284	2.6
542.96753	0.4
553.75293	0.5
701.37805	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.4305
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.5
55.01849	4.4
55.05498	18.2
57.03421	17.9
57.07050	2.0
61.02909	4.8
65.03944	1.8
67.05492	56.9
69.03403	3.7
69.07065	9.9
69.83579	10.7
71.04961	5.6
71.08601	2.5
76.10310	1.8
79.05051	3.5
79.05481	53.9
81.03406	78.7
81.06569	3.3
81.07042	54.1
83.04963	5.4
83.08600	18.1
85.02872	3.9
85.06506	3.7
91.03918	2.2
91.04955	2.9
91.05478	36.2
93.07024	48.4
95.04951	26.4
95.08037	2.8
95.08595	35.8
97.02887	4.0
97.06487	5.5
97.10157	4.4
99.08074	4.5
105.07008	24.8
107.04925	5.5
107.08575	24.9
109.06482	4.7
109.10131	15.2
111.08041	7.1
114.44646	1.7
117.07001	6.5
119.08566	21.7
121.06461	5.6
121.10130	31.8
123.04406	2.5
123.08020	2.8
123.11653	6.6
125.09601	3.4
129.06976	8.4
131.08539	21.9
133.06454	3.0
133.10123	14.6
135.11667	22.8
137.09573	5.6
142.07706	2.9
145.10075	10.9
147.08046	3.4
147.11641	12.7
149.09593	5.9
149.13216	9.3
157.10120	10.0
159.11638	4.7
161.13199	3.5
163.11145	2.2
165.12709	2.7
173.13226	7.5
175.11166	7.3
177.12756	2.8
187.14799	2.3
189.11165	2.4
189.16344	2.4
193.12230	19.4
193.13901	2.9
205.19292	2.3
211.13231	2.2
215.17928	20.4
227.12782	3.7
233.18967	23.3
235.13168	2.2
239.12807	5.8
267.15866	100.0
273.22180	3.0
289.21301	2.0
293.21039	3.5
301.14319	3.1
301.18018	2.5
307.22610	89.4
308.22855	2.1
309.16913	3.8
329.24561	2.3
335.25696	3.6
336.98132	1.9
387.11066	2.2
407.24091	3.2
407.28955	2.7
425.30380	7.6
443.31845	2.6
499.34146	51.2
500.34204	3.0
517.35193	28.4
541.35046	5.0
561.37567	3.0
599.35907	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	698.4459
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	2.2
55.01860	1.4
55.05499	9.2
57.03428	40.3
57.07056	1.6
61.02909	2.4
65.03925	1.2
67.05493	34.4
69.03405	1.7
69.06709	0.8
69.07056	9.1
69.58910	3.8
69.59328	1.0
71.01337	4.7
71.04974	2.2
71.08622	1.1
73.02881	0.8
79.05480	40.8
81.03400	3.5
81.07043	29.6
83.04980	4.8
83.08134	0.8
83.08607	14.8
85.02875	3.5
85.06518	0.9
86.90675	0.6
91.03916	0.8
91.05467	13.0
91.34542	0.6
93.07028	55.3
94.07348	0.8
95.04950	3.7
95.08591	28.5
97.02866	1.4
97.06491	1.5
97.10142	2.0
99.04339	0.5
99.08081	1.2
99.28903	0.5
105.04507	1.0
105.07005	9.8
107.04935	1.3
107.08572	14.8
109.06502	0.8
109.10141	8.8
111.08073	1.5
117.06980	2.8
119.08573	7.8
121.06320	0.5
121.10125	41.4
122.10494	0.7
123.08074	1.6
123.11684	3.3
125.09605	1.7
129.07005	0.9
131.08543	10.3
133.10107	5.1
135.08000	0.6
135.11644	6.7
137.09558	1.0
137.13249	1.0
137.83211	0.5
139.11159	11.4
140.76784	0.5
141.08946	0.6
143.08508	0.7
145.10097	4.8
147.11661	4.0
149.09601	5.7
149.13245	4.6
151.11107	0.6
153.29790	0.6
157.10107	1.3
159.11676	3.6
161.13290	2.7
163.14792	2.7
165.09081	0.6
165.99823	0.6
167.09270	1.1
167.10645	12.9
173.13234	2.6
175.14746	0.8
177.12666	0.6
177.16393	1.0
185.11708	2.3
185.13162	0.6
187.14801	2.0
239.12823	3.3
241.14307	100.0
242.14751	1.3
243.15771	0.8
243.21040	5.4
259.20358	0.6
261.22119	13.3
269.17429	0.9
277.21756	0.7
307.22528	1.8
311.23624	0.7
317.24683	1.9
333.24295	0.8
335.25751	36.4
346.01831	0.6
391.29669	1.5
409.30789	2.5
427.32193	1.3
483.34540	2.5
501.35678	52.9
502.35962	1.6
519.36890	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	696.4152
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.1
55.01862	1.0
55.05499	14.1
57.03433	4.9
57.07064	9.2
57.93425	0.3
61.02915	25.8
61.43691	0.3
65.03934	1.4
67.05491	55.6
68.05827	0.5
69.03413	3.2
69.07054	20.3
69.23537	0.3
69.49833	3.4
71.04980	1.8
71.08620	4.6
71.13485	0.4
73.02901	8.2
74.85010	0.4
75.04463	1.1
77.03867	0.4
77.64400	0.4
79.05478	16.9
81.03416	1.1
81.07041	68.5
82.07388	0.8
83.04984	1.9
83.08602	17.0
85.02889	29.8
85.06514	2.8
85.10165	2.7
91.03939	25.9
91.04870	0.5
91.05461	12.9
93.07026	19.6
95.04930	1.1
95.08589	61.8
96.08913	0.5
97.02872	15.1
97.06506	6.7
97.10151	10.8
98.21459	0.7
99.04438	1.8
99.08055	3.2
101.02361	0.5
103.03923	0.5
105.07010	8.1
107.07845	0.7
107.08576	14.4
109.02850	1.1
109.06484	0.4
109.10136	31.6
111.08080	2.8
111.11698	3.5
113.09640	1.7
115.03908	1.8
117.06925	0.6
119.08556	10.6
121.10124	19.8
123.08057	0.9
123.11689	17.4
125.09608	1.6
125.13232	1.6
127.03895	10.6
127.11160	1.5
129.52826	0.4
131.08469	0.5
133.10104	13.5
135.11667	12.0
136.11980	0.4
137.09572	1.9
137.13220	7.3
139.11122	1.1
139.14751	0.5
141.12711	2.7
145.04935	12.6
147.11655	9.4
149.13232	9.2
151.11147	1.7
151.14783	6.6
153.12715	1.5
155.14275	2.7
161.13229	12.3
161.26396	0.4
162.13657	0.4
163.05989	25.1
163.11168	0.5
163.14795	8.7
164.15222	0.4
165.12735	0.9
165.16371	8.5
167.14265	1.4
169.15945	0.5
171.13687	0.5
172.03989	0.4
173.13187	0.5
175.14784	9.3
177.16356	1.5
179.14281	1.1
179.16348	0.7
179.17889	7.7
181.15834	1.1
189.16348	5.0
193.15849	1.2
203.17876	1.5
205.19423	0.5
207.17387	0.7
217.19464	1.5
221.18797	0.4
221.93927	0.4
227.12592	0.5
245.22601	62.2
246.22905	1.7
247.24139	1.0
263.23648	100.0
264.23935	2.4
265.25327	2.8
281.24728	3.6
307.22513	0.7
308.22974	1.1
337.27304	46.4
338.27786	1.2
347.53629	0.4
355.28348	14.0
495.39630	0.4
499.32507	1.7
516.33679	1.1
704.10126	0.5
719.66980	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.4302
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	3.3
55.01855	3.1
55.05496	8.7
57.03171	1.5
57.03427	12.5
57.07069	1.7
61.02899	5.7
67.05494	34.4
69.03411	2.6
69.07054	14.6
69.62202	8.5
71.01317	1.4
71.04961	3.2
71.08604	1.7
72.09354	1.0
79.05051	1.7
79.05474	23.7
81.03403	100.0
81.07043	38.5
83.04961	4.5
83.08584	3.5
85.02879	3.9
87.15170	1.2
91.03932	1.3
91.05466	29.2
93.07026	30.4
95.04948	5.7
95.08042	2.0
95.08589	29.4
97.02860	3.6
97.06505	3.1
97.10114	1.8
104.58654	1.2
105.06998	11.1
107.04967	1.9
107.08576	13.5
109.06470	3.1
109.10133	10.6
111.08035	1.3
117.06978	6.1
119.08556	26.9
121.06458	6.5
121.10105	11.6
123.04375	2.1
123.08018	4.1
123.11674	5.3
129.06953	2.7
131.08554	6.5
133.10132	8.0
135.08003	4.2
135.11658	6.5
136.81532	1.2
137.09583	16.8
137.13229	1.8
143.06995	1.9
145.04924	1.6
145.10077	3.6
147.08000	6.7
147.11644	4.0
149.09616	1.5
149.13228	5.0
157.10164	1.4
159.11653	5.8
161.13202	2.4
163.14809	2.4
165.09077	21.8
173.13199	3.9
184.07278	2.9
187.14815	2.3
193.82907	1.4
199.09517	2.5
207.10091	2.4
239.12729	84.1
243.21037	3.4
261.22052	11.1
279.23193	1.7
281.13742	2.3
293.21100	2.7
301.25244	3.3
317.24664	3.0
335.25742	63.2
336.26160	1.4
393.23026	1.2
401.27100	1.4
407.24246	1.8
407.29187	2.3
425.30255	7.1
443.31479	1.4
499.34033	38.0
517.35071	23.2
541.34796	2.4
561.37549	2.2
666.69684	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.3788
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.0
55.01859	2.1
55.05497	5.6
57.03424	12.5
61.02908	1.4
65.03923	1.1
67.05492	15.3
69.03410	3.2
69.07058	5.7
69.58928	3.9
70.06578	3.3
71.04984	3.6
72.08144	1.0
73.02890	0.7
73.53311	0.6
79.05479	13.7
81.03403	100.0
81.07041	15.1
82.03737	1.4
83.04966	7.9
83.08602	11.1
84.08119	1.3
85.02893	9.7
85.06537	1.5
86.09689	1.7
91.05466	34.1
92.05778	0.6
93.07026	14.5
95.04955	14.4
95.05544	0.9
95.08591	9.3
96.05265	0.6
97.02876	3.3
97.06525	3.0
97.10141	2.7
97.75874	0.5
103.05492	0.8
105.07021	10.9
107.04935	5.3
107.08562	4.5
108.08109	0.4
109.06515	3.9
109.10145	6.2
111.04411	1.1
111.08054	4.6
113.05968	0.7
115.05460	1.0
117.06985	4.1
119.04922	0.6
119.08562	34.3
121.06477	7.5
121.10126	5.1
123.04419	1.5
123.08060	3.3
123.11696	1.0
125.05959	0.7
125.09627	2.2
127.03883	0.9
129.06978	6.2
129.10170	0.7
131.04950	1.5
131.08556	5.6
133.06465	2.6
133.10104	4.9
135.08035	3.0
135.11670	1.0
137.05968	1.1
137.09589	20.8
141.06973	1.1
142.07741	1.2
143.07001	0.7
143.08488	1.0
145.04947	1.1
145.06433	2.6
145.10132	1.6
147.04428	0.8
147.08012	8.0
147.11658	5.9
149.09583	3.8
149.13193	0.8
151.07489	0.7
157.06479	1.0
157.10100	6.9
159.08057	0.8
159.11621	0.8
161.09598	1.0
163.07553	0.9
163.11168	1.1
165.09090	18.7
165.12737	1.0
167.08559	0.8
169.10124	1.2
170.85147	0.5
171.08008	0.8
171.11681	0.7
173.09601	0.6
175.11154	6.9
177.09026	0.8
183.08150	0.5
183.10147	2.1
183.11626	0.6
185.09575	1.0
187.11156	1.2
189.11095	0.6
193.12207	17.5
197.09399	0.6
198.87715	0.5
199.09579	0.7
199.11221	1.6
201.11163	1.0
203.10652	1.1
205.12277	1.1
209.09598	1.1
211.11258	0.8
211.13217	9.2
221.11787	0.7
225.29042	0.5
227.10623	4.8
227.12634	0.8
229.12210	0.8
229.14226	0.6
231.13857	0.6
239.12729	64.9
240.13080	1.4
245.11734	0.9
249.14755	0.7
255.13904	0.8
257.13788	6.0
267.15869	42.9
268.16162	1.4
269.17639	0.6
273.14822	2.1
285.16882	11.4
293.18985	0.6
311.20026	1.8
313.18002	3.1
321.18463	3.0
329.21106	1.7
339.19516	9.4
340.19775	0.5
357.20520	11.1
358.20987	0.6
375.21695	1.7
377.20993	0.9
387.21329	1.3
405.17276	0.8
405.22662	16.6
405.27786	1.0
413.23138	7.1
431.24222	72.6
432.24481	3.3
449.25284	50.7
450.25519	2.6
463.26962	1.1
473.25363	0.7
481.24115	1.1
481.31030	0.7
491.26239	0.8
557.27081	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.4351
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	4.5
55.01858	4.4
55.05502	23.3
57.03426	11.7
57.07057	3.4
65.03927	4.7
67.05492	80.7
69.03413	10.5
69.07049	13.7
69.73423	3.6
69.73833	7.8
71.04980	21.5
79.05477	61.4
81.03403	28.0
81.07037	100.0
83.04958	17.9
83.08596	11.2
85.02869	3.5
85.06522	8.4
91.05464	46.2
93.07023	68.1
95.04951	10.7
95.08589	34.2
97.02857	7.1
97.06510	5.3
97.10150	3.4
99.04454	4.1
99.08068	3.2
105.07007	27.5
107.04972	1.7
107.08572	26.0
109.02856	4.1
109.06503	3.7
109.10135	18.7
111.04408	4.1
111.08040	5.3
117.06999	9.4
119.08566	25.2
121.10123	32.7
123.08058	2.9
123.11687	15.4
124.86728	1.6
125.09579	2.2
126.34962	1.9
127.03896	4.3
127.07486	1.7
128.06154	1.9
129.05452	6.6
129.06973	3.8
131.08522	13.7
133.10103	23.7
135.08063	3.6
135.11668	13.3
137.09570	4.6
143.08531	2.3
145.10101	6.3
147.08034	5.1
147.11696	8.0
149.09569	4.4
149.13217	9.8
151.11169	8.1
153.93333	1.7
157.10114	3.4
159.11674	10.0
161.13235	2.3
165.09044	3.0
171.11670	4.2
173.04430	13.3
173.11623	1.8
173.13220	4.6
177.12672	4.0
183.11661	2.6
185.13231	3.1
187.13219	8.8
187.14734	2.0
193.12213	2.0
195.13844	4.2
197.13329	2.3
199.14900	2.1
201.14825	2.4
215.17906	4.6
233.18927	1.9
239.12772	9.5
243.15790	4.1
261.22144	3.4
269.17459	8.6
301.19907	3.5
307.22626	36.2
308.23080	2.4
323.20117	2.2
335.25739	5.9
339.18021	2.7
341.21222	2.3
368.76956	1.9
413.21436	3.4
445.24136	9.2
475.34100	58.3
476.33878	2.0
477.35602	5.1
485.60257	1.9
489.35431	5.6
499.33990	6.3
501.35568	14.8
505.38361	2.4
533.38287	73.4
534.38611	5.1
627.38019	2.5
645.39288	5.9
663.40637	2.8
677.42511	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	695.4347
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.3
55.05502	14.0
56.83979	1.6
57.03426	8.9
57.07064	2.3
59.04989	1.7
67.05489	46.7
69.03425	10.5
69.07053	14.5
71.04986	15.0
71.63667	1.9
74.91169	1.4
79.05473	34.6
81.03397	14.9
81.07040	32.7
81.64362	1.4
83.04980	9.4
83.08596	8.7
85.02913	3.6
85.06545	2.4
91.05454	20.2
93.07027	35.3
93.54484	1.3
95.04944	6.1
95.08587	100.0
96.88786	1.6
97.02873	4.3
97.06502	4.9
97.10155	4.4
99.08115	1.7
103.03897	1.5
105.06999	15.6
107.04935	2.5
107.08574	16.9
109.02879	2.9
109.06493	2.9
109.10152	10.3
111.04430	1.9
111.08092	1.6
117.07018	6.5
119.08578	15.8
121.06496	2.4
121.10109	22.3
123.08044	11.6
123.11655	3.4
125.09586	3.3
129.05449	4.6
129.06978	5.3
131.04942	1.8
131.08556	12.3
132.31488	1.5
133.10115	7.0
135.08054	2.8
135.11667	4.8
137.09639	2.0
139.11194	2.8
141.09084	3.3
143.08519	4.6
145.06482	1.6
145.10097	7.7
147.08064	2.5
147.11639	5.9
149.09579	7.3
149.13266	2.8
151.11192	2.9
153.09123	1.6
155.08504	1.9
155.10686	3.3
159.08087	2.2
159.10144	5.8
159.11681	5.7
161.13286	2.4
167.10680	3.9
169.10098	3.8
171.11644	4.7
173.04463	4.1
173.11867	2.0
173.13280	5.2
175.11180	2.3
179.27109	1.8
183.11620	2.6
185.13216	2.6
187.11220	1.9
189.12712	1.8
197.11710	3.7
197.13324	2.7
199.13203	2.0
215.12752	4.9
223.11349	1.6
229.14374	5.3
241.14197	11.2
259.20447	2.5
261.22226	3.0
273.16837	2.0
335.25677	14.2
351.23114	2.8
369.24130	5.7
387.25415	3.8
417.21176	4.7
457.33179	3.0
461.28906	4.8
475.33957	21.0
477.35483	6.5
489.35739	2.2
501.35956	7.9
533.38324	13.9
601.37665	2.3
619.37952	5.0
627.38416	2.7
632.06689	1.7
645.40045	13.8
677.42657	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	695.2914
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01839	0.4
67.05475	0.2
68.04960	0.1
69.07021	0.4
69.56326	0.2
69.56733	0.8
70.06579	0.9
72.08125	0.3
74.05095	0.1
79.05465	0.1
84.04455	0.2
84.08115	0.3
84.34428	0.1
85.02869	0.1
86.09708	0.6
94.06517	0.4
95.04931	0.3
95.11532	0.1
96.04459	0.2
97.06535	0.1
98.06062	0.2
107.04866	0.1
108.04461	3.4
108.08057	0.3
110.05962	0.1
112.07566	0.2
117.62132	0.1
120.04404	0.3
120.08099	0.8
122.06022	1.0
124.07533	0.3
133.45351	0.1
136.07532	1.2
138.05490	0.8
140.07030	1.4
142.08603	0.2
146.05981	1.3
147.04376	0.2
147.06688	0.2
148.03821	0.3
148.07552	0.9
150.05464	0.7
150.06673	0.2
162.05452	0.2
162.06697	0.3
164.07031	0.5
166.04967	0.8
168.05153	0.2
168.06540	4.6
170.09619	0.1
172.03806	0.1
174.05507	0.9
181.08867	0.2
182.08145	0.1
182.09641	0.2
192.06500	0.2
194.09665	0.3
195.09111	0.2
196.07527	0.2
196.11255	0.3
197.10681	0.1
198.07707	0.3
198.09315	0.2
199.08629	1.6
199.12201	0.2
200.09166	0.1
201.10101	0.2
204.06517	0.7
206.08080	2.0
209.08434	0.2
210.07855	0.4
210.11411	0.2
211.08620	5.5
211.12047	1.1
212.07179	0.2
212.09290	1.6
213.10201	1.9
213.13901	0.2
214.10860	0.3
221.10727	1.2
222.09103	1.5
222.11185	0.2
223.08536	1.1
223.12271	0.4
224.10966	1.8
225.06638	0.2
225.10162	4.9
226.07307	0.6
226.10640	0.9
227.08113	2.0
227.11674	0.7
228.08682	0.2
229.09619	0.1
237.10123	0.4
238.08865	0.2
238.11086	0.3
239.08200	0.9
239.11749	8.8
240.08600	1.0
240.12375	0.7
241.09682	3.0
241.13290	1.1
242.10442	1.3
243.11226	0.2
249.10147	0.9
250.08571	1.3
250.10928	0.1
251.08093	1.4
251.11739	0.5
252.08517	1.7
253.09674	5.9
254.08058	0.2
254.10458	1.0
255.11214	1.2
256.12033	0.4
257.12851	0.8
259.14426	0.3
265.09778	0.2
266.10458	0.2
267.07776	0.6
267.11243	12.1
268.09305	0.4
268.12088	0.8
269.09238	0.4
269.12790	1.9
270.10233	0.2
271.10886	0.3
273.12268	0.3
277.09607	0.2
278.08081	0.5
279.11139	0.2
280.08514	0.4
281.09167	0.7
283.10727	0.7
284.11377	0.7
285.08719	0.4
285.12262	1.8
287.13803	0.5
295.10727	6.4
296.09143	0.4
297.12292	1.4
298.10577	0.4
299.10443	0.2
301.11789	0.4
303.13290	0.5
305.14926	2.1
306.07529	0.2
313.11761	41.4
314.12253	1.3
315.13174	0.6
323.10233	1.8
327.13272	0.3
341.11267	16.2
342.12015	2.9
343.12509	0.3
345.14575	0.2
355.12793	2.3
359.12308	4.2
360.12756	0.2
373.13873	100.0
374.14252	2.4
375.15421	0.5
390.14011	0.2
579.74243	0.1
601.04071	0.1
601.26337	0.4
627.24371	0.8
645.25452	2.4
659.26935	1.0
663.26837	0.9
677.28094	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	693.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00068	0.7
53.03928	0.9
55.01871	1.1
55.23464	0.6
55.91331	0.8
56.07949	0.6
66.91838	0.6
67.01832	0.6
67.05482	2.4
69.03410	0.9
70.06579	8.6
70.08359	3.0
72.08134	2.4
79.05476	1.0
81.07019	1.2
82.06552	1.2
83.04980	0.8
84.04469	1.1
84.08127	3.8
86.09695	4.5
87.05607	0.7
91.05447	2.7
92.04963	0.8
93.05753	1.3
93.07014	1.7
94.06550	4.4
95.04937	0.8
96.08115	1.4
97.02898	4.9
97.06496	0.8
105.07043	1.3
106.06539	2.1
107.04927	0.8
108.04453	1.4
108.08100	10.3
110.05997	0.8
110.07108	1.1
117.05718	3.1
118.06511	6.1
119.07285	1.1
120.08095	4.3
122.06025	7.2
123.06799	1.5
124.07571	17.1
126.05426	1.4
129.10211	1.8
130.04965	0.6
130.06474	0.9
131.07294	1.1
132.08073	5.7
134.05978	1.4
136.07559	83.1
137.06029	0.7
137.07921	1.2
138.05521	1.2
138.09119	1.2
145.08850	0.7
146.05965	3.5
146.08347	1.3
146.09564	1.0
148.07533	2.3
150.05449	1.6
152.07063	5.4
156.08105	1.0
157.08797	1.1
158.09579	1.5
159.09155	1.6
160.07561	19.0
161.07095	0.9
164.07047	38.9
165.07199	0.7
166.08580	0.7
167.07237	1.7
168.08109	1.3
169.07576	1.6
169.08818	1.1
170.08372	1.8
170.09668	1.0
171.09166	1.3
172.11107	0.9
173.10712	2.7
174.07857	1.4
174.09201	1.5
181.08876	8.4
182.08340	0.9
182.09657	6.9
183.09091	5.8
183.10490	0.9
184.07518	0.9
184.09906	12.1
184.11208	0.9
185.10620	1.2
187.08629	7.6
188.09337	1.7
195.09091	1.0
196.09766	1.1
196.11220	10.7
197.10696	7.1
198.07672	1.0
198.09506	1.3
198.11478	9.5
199.08633	5.1
199.12276	20.6
201.10300	3.8
201.12007	0.8
206.08203	0.7
209.08305	1.3
210.09259	0.9
211.08644	7.0
211.12227	2.4
212.09383	3.8
212.10866	2.4
212.12936	1.7
213.10197	6.3
213.13800	9.5
214.10721	0.8
215.11792	1.8
217.09557	1.4
219.11189	1.0
223.12204	3.4
224.10786	13.4
225.10158	11.5
226.10927	11.4
227.08218	5.7
227.11707	12.3
229.09760	1.5
231.11179	0.9
231.14850	0.8
237.10136	1.6
239.08121	2.0
239.11728	5.4
240.08897	2.6
240.12416	6.3
241.06046	1.9
241.09698	11.3
241.13324	28.8
242.13680	1.1
243.11214	1.2
245.12805	4.3
251.11795	2.6
253.09715	4.6
254.10416	3.9
255.07509	1.1
255.11241	11.1
256.11707	2.8
257.09113	1.4
257.12814	2.1
259.10745	0.9
259.14337	4.7
265.09622	1.9
266.10455	1.3
267.11288	4.0
269.09372	2.8
269.12823	69.7
270.13080	1.7
271.10736	1.6
273.12302	2.2
281.09235	2.4
283.10739	13.1
285.12299	9.0
287.13861	100.0
288.14157	3.3
293.08859	1.1
295.10751	3.0
297.08997	1.4
297.12259	9.9
301.11911	4.2
305.14835	1.3
311.10190	10.2
313.11774	6.8
313.41873	0.9
315.13348	30.0
320.10184	0.8
320.13937	1.0
322.11707	1.3
329.11292	21.5
330.11713	0.9
333.14368	1.8
339.09769	4.3
345.14413	2.8
347.12317	0.8
353.14630	0.8
357.10770	17.0
358.11108	0.9
361.13922	20.2
371.12286	4.2
372.12912	2.5
373.13898	3.7
375.11719	1.8
380.12225	1.3
389.13397	29.4
390.14090	1.3
408.15610	0.9
467.16592	0.8
480.17493	0.8
581.23462	1.4
597.23560	1.8
599.25262	3.9
615.24316	1.5
625.22791	11.9
630.22772	1.6
643.23956	28.4
644.24139	1.0
657.25647	6.7
661.25415	3.3
675.26617	13.6
693.27496	1.1
694.33954	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.3832
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	3.1
55.05505	16.8
57.03425	19.4
61.02908	5.0
61.13072	1.3
63.59899	1.3
67.05495	28.4
69.03416	5.3
69.07055	7.2
70.06580	4.6
71.04965	6.8
71.62708	2.7
72.07188	1.5
72.08125	2.8
73.02903	2.8
79.05481	32.2
81.03404	87.7
81.07047	36.8
83.04974	19.3
83.08605	29.8
84.08135	3.9
85.02891	35.1
85.06532	2.1
86.09675	5.8
90.41942	1.4
91.03939	2.8
91.05472	41.1
92.05779	1.4
93.07030	22.5
94.07384	1.4
95.04955	35.5
95.08599	12.4
97.02882	8.0
97.06522	5.7
97.10136	6.5
99.08073	3.0
100.28026	1.5
105.06365	2.4
105.07020	28.3
107.04940	9.4
107.08558	10.9
109.02861	1.6
109.05871	1.3
109.06494	8.0
109.10143	4.9
111.04424	3.3
111.08057	13.9
113.05968	4.7
115.05421	2.6
117.06979	2.9
119.08557	25.1
120.08095	1.7
121.06492	3.3
121.10130	11.8
123.08060	3.0
123.11667	2.1
124.07629	1.6
125.09590	2.8
127.03941	1.9
129.06996	13.0
131.08557	18.1
133.06444	4.2
133.10121	13.6
135.11650	2.0
137.09608	3.4
142.07765	4.2
142.55959	1.8
145.10059	2.6
147.08005	5.0
147.11647	19.5
149.09573	9.2
151.11076	1.5
157.10104	18.6
163.11139	1.5
165.12674	4.3
175.11180	22.4
184.07353	1.6
193.10431	3.0
193.12212	61.4
211.13263	93.6
267.15863	44.4
269.17337	1.7
275.20157	2.0
285.16916	100.0
304.61996	1.4
307.05627	1.4
356.10233	1.4
368.25314	1.6
385.23676	5.7
459.27335	30.0
477.22122	2.4
477.28503	31.9
495.29510	85.8
496.29956	2.0
720.23901	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.5396
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05204	0.4
55.05505	3.2
57.07064	32.3
59.04987	0.9
67.05486	1.7
69.07053	5.1
71.08617	32.3
73.06542	9.3
79.05476	0.7
81.07050	1.8
83.08598	5.4
85.09640	0.7
85.10165	20.5
87.04450	8.4
89.06012	100.0
90.06343	0.9
91.07570	1.3
93.07050	1.1
95.08578	2.0
97.10161	5.6
99.11726	2.5
101.02177	0.4
107.07050	3.7
107.08591	0.4
109.10091	0.6
111.11729	3.8
113.13261	1.3
117.09102	8.2
117.09879	0.6
119.08545	0.5
121.10101	0.7
125.13258	2.2
127.14816	1.7
130.08601	5.6
131.07010	2.5
133.08575	56.4
134.08885	0.7
135.10161	1.4
139.14766	1.2
141.16383	1.1
145.10101	0.5
151.15906	0.4
152.97963	0.4
155.17953	1.4
159.97992	0.4
161.11708	2.9
163.11211	0.5
175.09596	2.3
177.11182	26.4
211.24162	2.7
219.12329	1.0
221.13773	5.6
223.15395	0.6
227.02701	0.4
239.14850	1.8
255.26805	3.5
265.16397	1.2
283.17535	3.3
299.29395	10.3
300.29626	0.8
307.22559	0.5
309.18973	1.0
327.19977	1.0
343.31976	5.8
346.78354	0.4
353.21466	0.7
371.22424	1.0
415.25003	1.2
426.74677	0.4
459.27838	4.1
476.48935	0.4
489.39182	0.5
625.48492	0.7
669.40570	0.7
669.51318	8.9
670.51819	0.7
686.54041	8.0
687.53546	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.2402
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12508	0.2
61.20575	0.2
64.37047	0.2
67.05503	0.2
70.08141	0.7
73.71148	0.2
76.45676	0.2
84.08152	0.3
91.21425	0.2
95.04965	0.3
121.06489	0.2
125.07656	0.2
141.28343	0.2
145.06459	0.3
175.07466	0.4
185.05919	0.4
188.04668	2.4
189.05116	0.2
203.07022	4.6
203.08965	0.2
231.06505	2.8
238.02260	0.3
253.04695	12.8
254.05144	0.4
271.05734	0.2
294.07489	0.5
306.10730	0.2
355.11465	100.0
356.11810	3.7
368.87460	0.2
373.12653	0.2
396.14130	2.4
403.06656	0.2
524.89069	0.2
687.29150	0.2
687.40698	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.4462
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	3.4
55.05505	18.8
57.03428	17.0
57.07049	4.3
59.82586	2.6
60.33119	3.3
61.02917	3.7
65.23584	2.7
66.71783	3.1
67.05493	100.0
69.03422	5.6
69.07063	23.1
69.48746	19.0
69.49172	8.7
71.04983	6.0
74.21487	2.9
77.15963	2.8
79.05481	37.7
79.84393	3.5
81.07043	71.2
83.04971	4.8
83.08598	10.2
85.02902	4.4
85.06541	4.3
91.05457	52.1
93.07024	75.6
95.04934	12.0
95.08585	79.9
97.06525	4.1
105.07018	30.3
107.04916	3.3
107.08578	26.4
109.10139	42.5
113.92083	2.8
117.06989	12.8
119.08546	36.8
121.10117	22.6
123.11684	6.3
129.06981	6.0
131.08546	20.8
133.10147	15.6
135.11649	11.3
137.09596	69.7
137.13203	4.2
143.08548	6.0
145.10092	23.1
147.11652	12.0
149.13216	7.5
151.11151	3.1
151.38829	2.7
157.10083	9.0
159.11691	12.6
161.13225	9.3
163.11099	4.1
163.14734	3.5
165.12804	3.2
169.10107	4.5
171.11678	6.5
173.13213	12.9
175.14818	4.0
177.16382	3.8
183.11662	4.9
185.13283	8.3
187.14807	8.8
189.16479	3.4
191.14326	3.6
195.11649	2.9
197.13124	4.0
199.13174	4.1
199.14836	5.1
201.11171	7.2
201.56821	3.1
211.13213	28.3
211.14905	4.4
213.14734	7.2
225.95383	3.0
229.14238	5.4
231.17345	5.2
243.21239	3.4
259.20541	6.7
261.22015	8.3
277.75180	3.1
299.23572	6.7
313.25150	4.9
333.24054	4.3
335.25751	73.1
336.25897	3.6
377.26456	3.7
379.29752	15.7
391.15112	3.9
391.28296	8.6
397.30981	33.0
415.31970	7.1
444.95450	3.2
471.28568	4.8
471.34662	48.6
472.35144	4.3
489.35706	85.3
490.35791	9.0
619.07086	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	688.5192
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	3.6
57.03436	0.7
57.07069	35.0
59.04995	0.8
66.65222	0.6
67.05488	2.8
69.03418	0.9
69.07066	5.0
71.08622	26.0
73.02901	0.9
73.06544	7.8
79.05498	1.5
81.03406	0.8
81.07034	2.4
83.08604	1.7
85.10172	16.3
87.04461	10.5
89.06021	100.0
91.05464	1.3
91.07555	1.5
93.07045	2.0
95.08569	1.0
97.02911	0.8
97.09618	0.7
97.10132	4.2
99.11732	3.4
107.07056	3.5
107.08579	1.2
109.10139	0.8
111.08072	2.0
111.11711	1.9
113.13266	2.5
114.09180	0.7
117.09125	7.2
119.08553	0.8
121.10123	1.2
122.19700	0.7
127.14835	0.9
130.08643	5.6
131.07028	3.7
133.08588	57.7
135.10081	0.7
143.07019	1.8
147.11601	0.8
157.10066	0.7
161.11710	2.8
169.19453	5.9
175.09641	2.4
177.11206	27.4
179.12810	1.0
184.07292	1.0
213.22142	2.7
219.12247	0.8
221.13770	4.9
231.12280	2.5
239.14854	1.5
257.24710	11.3
261.21927	1.0
265.16589	1.2
283.17368	3.5
301.27383	7.1
309.18994	0.8
327.20105	1.1
335.25830	3.3
353.21408	0.7
391.39679	0.7
459.27783	1.1
491.33444	1.5
503.30600	5.0
671.49438	7.3
688.39893	0.9
688.51721	6.6
689.40479	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	686.4464
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.0
55.01847	0.6
55.05499	11.1
55.05746	0.9
57.03424	12.4
57.03693	0.9
57.07063	2.3
59.04997	3.7
61.02910	4.4
64.73536	0.4
65.03924	1.3
67.05492	96.4
68.05836	1.7
69.03417	1.6
69.07056	8.3
69.24747	0.4
71.04977	4.0
71.08636	0.6
71.63477	0.4
71.63922	0.8
73.02894	1.2
79.05476	19.8
81.03419	1.6
81.07040	39.3
82.07388	0.7
83.04966	1.3
83.08607	8.4
85.02883	4.3
85.06516	2.3
91.03947	1.6
91.05456	13.8
93.07031	24.9
95.04953	2.9
95.08589	29.1
96.08932	1.0
97.02888	2.9
97.06523	1.4
97.10154	2.0
98.00613	0.5
99.08080	1.2
103.05537	0.5
105.07005	8.1
107.08578	14.4
109.06493	1.1
109.10136	79.6
110.10493	1.4
111.08052	2.7
113.05995	0.6
113.09678	0.6
117.06982	3.2
119.08555	11.4
121.10120	11.9
123.08034	0.6
123.11686	3.0
123.26299	0.5
125.09592	1.6
127.03928	0.8
131.08548	5.3
133.10130	5.8
135.11653	7.2
137.09599	3.6
137.13237	1.2
143.08620	0.5
145.10072	4.2
147.11630	3.5
149.13231	4.7
155.10631	4.0
159.10490	0.7
159.11609	3.5
161.13220	3.6
163.14742	3.1
173.11737	21.0
173.13242	3.2
174.12122	0.7
175.14827	1.4
177.16362	0.6
187.14836	2.1
189.11234	1.1
201.16344	0.6
201.39632	0.5
227.12758	4.2
229.14311	100.0
230.14632	3.7
243.21097	4.7
261.22095	18.0
299.14822	1.0
317.24640	3.8
335.25735	79.0
336.26059	4.9
338.45465	0.5
379.29779	1.0
397.30869	1.5
415.12320	0.6
415.31720	1.2
443.88904	0.6
471.34457	1.4
489.35660	62.1
490.35898	5.3
507.36801	5.9
513.05725	0.5
524.40308	0.6
566.12225	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.4459
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.2
55.05497	10.0
55.26513	0.5
57.03426	14.3
57.07067	2.0
59.04988	3.5
61.02907	4.7
64.63496	0.4
65.03934	2.2
67.05490	97.0
68.05823	1.0
69.03419	1.5
69.07052	9.2
69.07398	0.6
69.58121	0.5
70.06794	1.1
70.07209	1.2
71.04980	3.2
73.02905	1.2
79.05476	20.2
81.03405	0.8
81.07039	39.1
82.07384	0.9
83.04981	1.4
83.08600	8.8
85.02884	4.9
85.06532	2.7
87.04472	0.6
87.09314	0.5
91.03954	2.0
91.05452	12.8
93.07024	25.4
94.07349	0.7
95.04961	2.0
95.08585	26.0
97.02865	2.6
97.06512	1.1
97.10167	2.2
99.08065	1.2
103.03947	0.5
104.41474	0.5
105.07008	7.2
105.07671	0.6
107.08570	16.1
109.06524	1.6
109.10133	83.7
110.10488	1.4
111.08043	3.1
117.06976	3.3
119.08560	10.7
121.10114	10.9
123.08104	1.0
123.11691	3.9
125.09543	0.9
127.11248	0.6
131.08530	5.2
133.10124	4.3
135.08005	0.6
135.11661	8.3
137.09602	4.2
137.13239	1.3
139.11119	0.7
145.10092	4.8
147.11655	3.9
149.13226	4.2
153.12672	0.6
155.10626	3.3
159.11676	2.7
161.13213	3.8
163.14803	2.1
165.12810	0.5
173.11728	24.4
173.13231	2.7
174.12001	0.7
175.14734	1.1
177.12747	0.6
177.16371	1.5
187.14758	1.5
189.11218	0.6
207.25461	0.4
227.12767	4.6
229.14304	100.0
230.14691	1.6
242.08582	0.5
243.21028	5.4
244.84955	0.4
255.15927	1.1
261.22079	16.7
267.12045	0.5
279.23199	0.6
286.17947	0.5
299.15009	0.5
299.23792	0.5
317.24524	2.3
334.84189	0.5
335.25732	71.5
336.26129	2.5
364.99661	0.4
379.29776	0.8
397.30966	1.0
415.31924	1.1
433.33044	0.6
435.30768	0.4
471.34659	1.4
489.35660	43.5
490.36035	2.4
507.36743	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	686.4307
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95319	0.4
55.01850	0.4
55.05499	4.1
57.03435	3.5
57.07065	33.4
61.02914	11.8
67.05167	0.6
67.05492	8.3
69.03402	1.4
69.07056	6.7
69.69579	0.5
71.04961	1.0
71.08618	28.2
71.63178	0.7
73.02903	4.2
75.04458	2.0
79.05476	0.8
81.03411	0.9
81.07043	14.5
83.08607	10.7
85.02888	13.3
85.06496	0.5
85.10164	17.5
89.05993	1.4
91.03937	12.8
93.07004	1.3
95.08590	21.7
97.02882	4.8
97.10155	9.2
99.04464	0.6
99.11724	1.1
103.07584	0.7
109.02844	0.5
109.10135	10.5
111.11728	2.1
113.13260	0.8
115.03880	0.6
123.11678	5.3
127.03899	4.9
132.30231	0.4
135.11688	0.6
137.13232	2.2
145.04941	5.5
163.05991	10.4
165.16389	0.5
191.49219	0.5
193.04877	0.6
229.14331	0.7
235.24158	1.1
253.25226	18.7
253.27866	1.0
271.26361	4.2
312.28876	0.8
327.28867	100.0
328.29239	2.1
345.29932	35.4
469.17737	0.5
489.34161	4.0
585.21783	0.8
645.23602	1.3
646.78851	0.5
651.39276	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.4307
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16387	0.8
55.05501	4.2
57.03421	2.8
57.07069	31.5
61.02920	12.2
67.05492	11.1
69.03416	2.0
69.07053	6.2
69.16452	0.6
69.44054	3.0
69.44485	3.8
71.04977	1.0
71.08621	30.7
73.02909	4.1
75.04446	2.0
79.05460	1.8
81.03433	0.7
81.07043	15.3
83.08611	11.3
84.08147	1.3
85.02892	17.6
85.06547	0.8
85.10169	17.4
89.06026	1.1
91.03394	1.0
91.03936	13.8
92.02335	0.7
93.07036	1.6
95.08591	23.1
97.02881	7.2
97.10158	8.3
99.04449	1.2
99.11732	1.5
103.79578	0.6
105.07101	0.8
107.08585	0.7
109.02837	0.8
109.10149	12.7
111.11699	2.9
115.03897	1.1
119.08587	1.0
123.11688	4.8
127.03880	7.2
133.10123	0.8
137.13211	2.2
142.79422	0.7
145.04927	7.3
151.14822	1.2
163.05981	13.0
174.24074	0.6
229.14337	0.7
235.24118	1.2
253.25226	21.5
271.26300	3.0
327.28879	100.0
328.29169	1.6
335.25897	0.7
345.29947	49.6
346.30020	1.3
489.34622	1.6
561.50745	0.7
686.40509	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	684.4306
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	2.3
54.98279	1.0
55.01862	5.5
55.05501	12.5
57.03434	10.6
57.07063	2.0
61.02908	3.1
65.03918	1.2
67.05494	48.4
69.03403	1.8
69.07052	12.2
70.39558	2.9
70.39958	2.1
71.04974	3.2
72.90875	1.2
73.02893	1.1
79.05479	50.2
81.03388	2.8
81.06567	2.0
81.07042	32.3
83.04965	11.1
83.08601	6.7
85.02874	2.2
85.06522	3.3
85.10165	1.1
88.74139	1.2
91.05439	18.2
93.07030	53.3
93.22286	1.1
94.07353	1.7
95.04964	5.6
95.08031	2.2
95.08588	22.0
97.02896	2.1
97.06525	9.4
97.10158	5.8
99.04443	1.2
99.08063	3.6
99.43427	1.1
101.12734	1.2
105.07024	11.2
107.04913	1.1
107.08578	28.7
109.06528	1.6
109.09482	1.4
109.10122	8.8
110.09616	1.1
111.08060	2.2
111.11635	1.2
117.07015	5.6
119.08553	10.2
121.10123	23.0
123.11693	2.9
125.09616	2.4
128.10703	1.2
131.08563	7.6
133.10120	9.4
135.08020	1.7
135.10663	2.3
135.11673	40.2
145.10098	9.6
147.11661	4.1
149.13254	5.4
153.12682	5.2
157.91003	1.2
159.11671	5.4
161.13194	2.2
163.11221	5.7
173.13226	5.0
181.12195	6.4
187.14882	1.4
187.71486	1.1
191.17900	1.4
199.13229	1.6
205.19299	1.4
208.07170	2.5
215.17882	12.1
233.18964	14.2
255.15872	67.9
307.22620	65.6
317.37335	1.3
341.33469	1.3
391.73196	1.2
395.29141	1.6
487.34116	100.0
488.34476	3.3
505.35098	2.6
520.33496	2.0
684.48370	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	684.4307
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	2.7
55.05502	8.8
57.03430	58.3
57.07070	2.9
59.04978	1.4
60.96847	1.0
61.02919	3.4
65.03947	1.2
67.05497	27.7
69.03417	1.9
69.07071	8.2
70.81981	4.1
71.04986	1.4
71.08591	1.1
79.05485	55.7
81.03378	1.6
81.06564	2.4
81.07047	39.5
83.04982	3.2
83.08588	3.0
85.02868	2.4
85.06502	1.2
91.05418	11.6
91.96181	1.1
93.07025	24.9
95.04966	2.0
95.08593	20.0
97.06528	2.0
97.10151	3.0
98.20882	1.4
105.07014	13.5
106.57264	1.0
107.08583	30.7
108.23897	1.1
109.06493	3.5
109.10132	10.9
111.08021	2.4
116.06288	1.1
117.07011	4.4
119.08553	8.9
121.10130	12.8
123.08044	1.8
123.11702	3.3
125.09624	23.0
131.08560	5.7
133.10132	6.0
135.08043	12.3
135.11681	7.8
137.09666	1.5
145.10060	5.7
147.11653	4.4
149.13242	4.1
153.09073	16.6
159.11664	3.5
161.13260	2.5
163.14821	4.0
171.10117	2.6
173.13222	3.5
177.16278	1.1
187.14853	3.1
201.64383	1.1
212.04926	1.1
225.11171	3.8
227.12752	100.0
228.13109	1.7
229.14189	1.3
243.20987	5.4
261.22113	18.3
317.24768	2.5
332.29803	1.0
335.25772	38.1
377.28384	1.7
383.69833	1.0
395.29279	5.3
407.18787	1.1
409.50443	1.1
429.08890	1.6
469.33197	2.2
487.34073	39.6
505.35208	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	680.4788
Annotation	Unknow
Peak:m/z	Relative Intensity
54.92100	1.2
55.05494	4.1
57.03429	1.7
57.07069	56.4
65.46861	1.2
67.05498	15.4
69.07063	3.6
69.29393	13.1
71.04984	1.7
72.54362	1.2
79.05492	3.5
81.07053	15.1
83.04961	1.9
83.08598	2.8
91.05463	8.5
93.07031	6.1
95.08601	7.4
97.10170	1.7
98.21452	2.3
105.07036	3.9
107.08621	2.0
109.06493	3.8
109.10142	10.6
111.04415	5.1
111.34817	1.1
115.91940	1.2
119.08575	2.8
121.10119	2.2
123.11740	1.8
125.06002	1.7
133.10121	2.6
135.11708	2.2
137.05956	42.1
147.11684	9.1
149.13210	1.2
154.77182	1.1
161.09607	2.6
161.13239	1.8
163.11166	1.3
165.09061	1.3
173.11766	1.7
175.11160	1.6
203.18011	2.3
213.16345	2.0
231.17439	2.6
233.03600	2.8
249.18427	2.5
251.04710	12.2
277.17947	15.2
295.18976	4.6
307.10971	1.9
327.07748	100.0
328.08102	2.8
337.27316	12.2
351.21582	8.1
355.86685	1.4
383.13995	56.8
383.24158	5.6
437.09766	1.3
439.20291	96.0
440.20438	2.3
491.37173	6.4
495.26541	84.3
496.27206	2.3
551.32721	37.6
607.39038	93.2
608.39575	4.4
613.44562	30.2
645.46832	4.9
649.24292	1.3
663.45233	90.1
664.45123	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	682.3103
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	1.0
56.05025	28.8
57.03424	1.2
58.06586	1.6
61.01140	20.5
67.05488	1.7
69.03419	0.9
69.07040	0.9
69.57652	5.4
70.06585	6.8
72.08144	0.7
74.06065	16.6
78.12366	0.8
79.05467	1.1
81.03394	2.1
81.07059	1.3
84.04489	53.1
84.08121	2.0
85.02890	3.9
86.09688	9.9
88.95407	0.6
91.05467	3.5
92.31712	0.6
93.07031	2.4
95.04930	0.8
95.08580	1.9
98.06039	21.6
98.21454	1.5
101.07127	6.2
102.05524	92.1
103.05460	2.6
104.05309	64.0
104.10727	1.2
105.07027	2.0
107.04875	1.1
107.08587	0.7
109.02843	0.7
109.10125	1.9
112.03949	1.8
112.07599	1.9
113.07066	0.9
114.92848	0.7
117.07035	0.7
118.06573	0.9
119.08566	1.5
120.08083	100.0
121.08453	1.2
122.06020	2.7
126.05482	1.3
129.10196	1.1
130.04984	2.2
130.06552	0.8
131.08620	0.9
132.08092	1.6
132.10181	1.9
133.10051	1.0
137.09641	1.3
139.08670	2.0
140.07034	7.2
141.06558	1.2
146.06319	53.3
146.09641	2.6
147.07936	0.8
150.05505	7.5
158.08113	2.1
158.09642	4.6
160.07600	1.0
160.11189	1.4
167.08139	20.2
168.06520	3.3
174.05817	40.6
175.25903	0.7
176.10709	4.1
177.10258	2.0
184.07367	1.6
185.09200	12.2
186.09106	3.5
187.07199	1.0
195.07611	26.4
203.10242	6.3
203.11821	2.6
211.13190	0.8
213.08679	24.2
221.12805	19.3
231.09427	3.7
249.12314	13.5
249.30890	0.7
279.16977	13.9
285.08936	1.1
286.15399	1.4
292.19037	1.7
303.06528	1.5
303.10040	29.1
314.15091	3.1
332.16193	1.0
342.14392	1.9
358.14194	3.6
360.11618	4.6
360.15643	3.1
368.12750	1.5
376.15323	6.8
378.16647	1.2
380.21829	5.8
386.13733	89.0
387.14020	2.2
404.14801	36.2
449.25272	1.4
467.26443	1.6
473.23929	2.5
491.24896	2.6
505.20908	5.3
533.20599	26.7
534.21265	1.2
551.21521	1.6
664.30151	3.2
682.38007	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	679.4047
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	8.4
55.01860	9.1
55.05503	20.3
57.03428	12.4
57.07061	28.6
58.07406	4.2
60.62778	3.3
67.05157	7.1
67.05495	74.5
69.03429	21.4
69.07062	17.0
71.04979	8.4
71.08625	40.1
71.63436	5.6
72.08956	4.1
79.05490	44.1
81.03409	79.7
81.07046	62.4
83.04980	17.8
83.08624	12.1
85.02901	16.5
85.10181	17.8
87.04446	28.6
89.06019	97.2
90.06366	10.3
91.05466	100.0
92.05803	4.3
93.07038	77.8
95.04949	12.8
95.08599	58.6
97.02888	12.3
97.06522	8.2
97.10140	7.4
99.04402	5.4
105.07033	27.2
106.07446	3.9
106.23743	3.4
107.04943	10.9
107.07072	8.3
107.08587	34.0
109.02882	12.5
109.10149	32.3
111.04451	8.6
117.06997	13.4
119.08567	95.3
121.06493	28.4
121.10130	24.1
123.04379	4.6
123.08015	5.3
123.11684	9.3
125.09618	13.2
129.05530	4.3
129.06998	12.9
131.07018	8.8
131.08572	20.6
133.08594	71.2
133.10075	17.2
134.08931	14.3
135.08073	14.9
135.11687	16.0
137.09604	51.9
141.07028	4.8
143.08569	6.8
145.10117	21.5
147.07983	21.2
147.11702	12.2
148.14346	3.6
149.09607	9.6
149.13300	7.6
153.09093	12.3
155.08566	6.9
157.10133	9.9
159.11691	14.4
161.09489	4.4
161.13228	4.7
163.11122	9.1
165.09128	43.6
169.10081	6.6
171.11737	5.7
173.13225	3.9
175.09706	6.3
175.11151	8.3
175.14883	5.4
177.11261	30.5
177.12691	6.9
178.11581	7.1
181.66055	3.4
183.10226	21.2
183.11583	4.6
184.07343	10.3
185.13260	5.3
187.11162	4.4
199.14783	4.1
209.11617	4.3
221.13756	6.7
230.86926	3.5
236.13792	3.9
239.12753	26.2
241.19604	4.2
247.20622	10.5
248.20966	8.9
257.13800	27.0
261.22040	6.7
291.23175	21.2
292.23688	19.9
308.58215	3.7
335.25757	30.2
336.26141	6.5
351.23160	6.0
369.24237	11.1
387.25317	11.1
401.18033	8.2
443.28250	5.4
479.29938	6.9
499.34079	12.5
517.35138	45.1
536.31561	7.0
592.48425	4.0
625.36688	8.2
643.37537	8.8
661.39124	30.2
662.45819	17.9
679.34888	38.7
679.48669	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	679.344
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03612	0.6
53.03925	0.9
55.01862	0.8
55.05494	2.6
57.07053	0.7
63.70980	0.6
67.05487	7.0
69.07054	1.9
71.04987	1.0
71.08598	1.1
71.57928	1.2
79.05478	7.8
81.03400	1.9
81.07046	5.5
83.04947	1.0
83.08598	1.6
85.06540	0.9
87.04474	1.1
89.06000	2.1
90.52030	0.5
91.05460	7.0
93.07033	6.7
95.04960	1.8
95.08603	3.3
97.02862	1.1
97.06500	0.7
105.07005	4.9
107.04946	1.8
107.08583	2.6
109.10123	2.0
117.07030	0.7
119.08578	3.5
121.06464	1.0
121.10123	4.0
129.07001	1.2
131.08559	2.3
133.08586	1.3
133.10088	3.1
135.11656	1.4
135.76552	0.7
137.09552	0.6
143.06502	0.6
145.10074	1.5
147.11696	2.6
149.09634	1.4
149.13188	0.8
156.17220	0.6
157.10103	1.6
159.11671	0.8
165.09204	0.8
175.11183	1.1
193.12253	1.6
206.37671	0.5
215.17926	1.2
233.19022	1.1
267.13690	0.7
267.16010	4.3
307.22748	2.2
339.47858	0.6
355.15204	1.3
375.25314	1.5
429.18964	0.8
499.34122	8.7
517.35181	0.9
679.34344	100.0
680.34692	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	679.3878
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.8
55.01852	2.8
55.05259	1.8
55.05503	23.8
57.03425	8.1
57.07063	11.4
58.99564	3.4
61.02917	17.7
65.03925	2.6
65.05276	1.1
67.05492	80.8
68.27535	1.1
69.03414	3.9
69.07057	31.5
70.68697	4.2
71.04981	2.4
71.08608	5.5
73.02889	6.3
75.04415	1.3
79.05477	35.0
81.03409	9.5
81.07042	100.0
83.04945	2.6
83.08604	27.9
85.02892	19.7
85.06528	2.7
85.10171	3.1
86.99024	2.2
87.63618	1.2
91.03942	17.3
91.05462	26.2
92.22408	1.4
92.77245	1.3
93.06459	2.3
93.07030	35.9
95.04958	5.8
95.08591	81.8
97.02882	10.6
97.06499	8.5
97.10149	14.0
99.04449	2.6
99.08066	5.2
103.03897	1.6
105.07016	16.4
107.04901	2.0
107.08568	21.0
109.02820	1.5
109.06496	1.9
109.10136	43.9
111.08054	3.4
111.11708	5.0
113.09644	3.5
115.03991	1.4
116.01652	13.7
117.02008	1.7
117.07012	3.4
119.08558	18.7
121.10122	29.4
123.08038	1.5
123.11681	22.1
125.09595	2.8
125.13261	2.4
127.03914	6.2
129.06984	1.7
131.08521	4.2
133.10120	21.0
135.11665	16.4
137.09575	3.3
137.13274	8.4
140.51469	1.2
141.12704	3.1
143.08548	1.2
144.01164	5.7
145.04936	7.9
145.05975	0.9
145.10124	2.1
147.11690	12.2
149.09604	1.5
149.13217	10.5
151.14771	7.5
153.12675	1.1
155.14261	5.1
159.11674	2.4
161.13239	16.5
162.02165	9.4
163.02551	2.0
163.03860	4.4
163.05963	11.3
163.14825	11.4
165.12766	1.7
165.16347	8.8
167.14192	1.9
170.07965	1.3
171.11681	1.3
173.02275	2.1
173.05957	2.2
173.13206	1.7
175.14816	10.1
177.16370	2.2
179.14346	1.7
179.17882	9.2
181.15868	1.8
187.03873	3.3
189.16344	5.2
193.12384	1.1
193.15906	1.6
199.03911	2.0
203.17990	1.8
213.05450	1.4
217.19537	1.6
231.17502	1.3
232.20679	5.7
233.20955	2.7
245.22607	63.4
246.22975	1.9
256.26321	2.4
263.23660	93.6
264.24008	4.5
265.25150	1.9
267.13602	2.3
281.24634	2.9
307.22760	6.0
309.11237	1.3
311.12494	1.5
337.27307	76.6
338.27505	2.5
339.77728	1.8
344.22012	2.6
345.22372	1.5
355.15332	7.2
355.28378	9.4
372.86932	1.5
377.20209	1.2
389.26752	1.2
401.15912	1.9
429.18732	6.5
446.04324	1.2
447.20978	2.1
448.21640	3.6
463.30685	1.6
481.31613	1.4
490.83762	1.3
499.32867	8.4
517.34961	2.6
541.36249	1.2
605.34528	1.6
651.38690	2.7
661.37500	4.9
679.40771	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	677.3728
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.8
54.71100	0.9
55.01851	1.3
55.05503	12.7
57.03423	6.7
57.07064	3.8
61.02916	19.9
65.03941	2.5
67.05494	71.8
68.05804	1.0
69.03419	3.0
69.07057	14.2
69.42893	0.8
69.43211	9.2
71.04977	2.4
73.02911	5.5
75.04513	1.2
79.05479	41.8
81.03409	1.6
81.07043	87.4
81.94254	0.9
82.07365	1.3
83.04961	2.5
83.08604	8.2
85.02889	21.5
85.06521	3.4
91.03943	17.7
91.05462	21.3
91.06001	1.6
91.80622	1.0
93.07027	58.3
94.07369	1.5
95.04949	3.6
95.08590	71.4
96.08900	0.9
97.02868	8.0
97.06506	2.9
97.10154	4.3
99.04443	1.5
99.08103	2.1
105.07008	15.5
107.08580	38.2
109.02847	0.9
109.06483	2.7
109.10138	38.4
111.08073	1.9
113.09631	1.5
115.03904	1.3
117.06997	8.2
119.08563	15.8
121.10122	34.9
123.08054	2.2
123.11689	20.3
125.09621	1.1
127.03889	6.8
129.07008	1.2
131.08540	18.3
133.10091	15.8
135.11662	26.1
135.12688	1.5
137.09563	2.8
137.13225	6.9
139.11212	2.3
143.08511	1.2
145.04942	8.9
145.10089	13.6
147.11671	12.3
149.09702	1.2
149.12029	1.2
149.13225	23.2
151.11171	2.3
151.14835	2.8
153.12727	1.7
159.11685	14.3
161.13231	10.7
163.05983	14.8
163.14790	14.4
165.12674	1.6
173.13229	15.4
174.43456	0.9
175.14735	4.5
177.12697	1.7
177.16389	6.1
179.14342	2.3
187.14803	9.9
191.14326	2.0
193.15651	0.8
201.16350	4.3
205.15898	2.5
208.59833	0.9
215.17891	2.4
219.17557	1.2
233.22617	2.9
243.21056	37.3
244.21484	1.5
261.22095	100.0
262.22528	4.2
263.23721	0.9
279.23178	4.5
317.24686	1.0
335.25735	31.7
336.26190	1.6
353.26819	46.3
354.27060	1.4
430.47510	1.0
497.30969	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	677.373
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.2
55.01846	1.2
55.05256	0.8
55.05502	12.6
57.03426	4.6
57.07055	2.5
59.04993	1.0
61.02915	22.6
63.00320	0.7
65.03912	2.1
67.05494	62.0
67.79765	0.7
69.03415	4.4
69.07055	11.5
69.46211	1.1
69.46548	7.1
69.53194	0.8
71.04982	3.6
71.08612	1.8
73.02909	10.5
75.04458	1.6
79.05480	41.1
81.03413	4.3
81.07044	67.8
83.04957	2.4
83.08604	7.0
83.21341	0.7
85.02893	29.0
85.06515	2.7
85.78899	0.7
91.03941	29.4
91.04874	1.2
91.05458	21.6
93.07030	55.2
94.07322	1.2
95.04938	3.3
95.08592	56.0
97.02273	1.1
97.02872	14.4
97.06510	3.2
97.10143	3.1
99.04409	1.2
99.08094	4.2
103.03926	0.9
105.07016	16.9
107.04960	1.1
107.08579	32.7
109.02810	1.2
109.06477	1.6
109.10136	31.6
111.08042	2.7
111.11679	1.2
113.09600	1.1
115.03898	1.2
117.06994	8.2
119.08552	15.5
121.10123	31.6
121.34453	0.8
123.08017	1.9
123.11691	14.6
125.09595	2.0
127.03908	10.7
129.06953	1.2
131.08556	19.5
133.10117	14.0
135.08173	0.8
135.10660	1.6
135.11673	30.1
136.12019	0.8
137.09579	1.8
137.13232	7.5
139.11151	2.0
143.08591	1.1
145.04933	12.8
145.10104	16.3
146.63510	0.7
147.11661	12.4
149.09636	1.2
149.13232	21.5
151.11172	2.1
151.14807	2.0
153.12703	1.8
157.10100	1.1
159.11671	16.9
161.13229	11.5
163.05991	23.4
163.11102	1.1
163.14795	14.7
165.12732	3.1
165.16397	1.4
171.11655	1.2
173.13246	15.9
175.14764	5.4
177.12709	1.2
177.16374	4.6
179.14285	2.8
184.09642	0.7
187.14792	10.2
191.14328	1.7
201.16298	2.1
205.15785	2.0
215.17949	1.1
219.17412	1.1
233.22578	2.8
243.21045	35.2
261.22092	100.0
262.22354	3.8
263.23660	1.4
265.57819	0.8
279.19943	1.0
279.23148	3.3
303.23141	1.1
335.25729	19.5
336.26001	1.5
353.26804	40.8
354.27072	1.2
405.26584	1.1
461.28275	0.9
479.29895	1.3
497.31308	5.1
559.57227	0.8
617.22217	2.4
645.21332	1.7
677.36798	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	675.2653
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02843	0.3
62.64596	0.3
64.41534	0.3
69.48590	0.3
69.49277	2.1
81.06985	0.4
83.19188	0.3
84.00439	0.3
84.41519	0.3
85.02777	0.3
102.18389	0.3
107.08527	0.3
121.21785	0.3
166.74522	0.3
170.62099	0.3
292.44000	0.3
292.75317	0.3
406.20923	0.3
425.16214	0.3
439.13885	0.5
441.19693	0.4
442.16406	0.4
443.17410	0.3
444.18704	0.4
453.16055	0.5
454.16330	1.1
455.12930	0.5
456.14185	0.7
457.14520	0.3
467.12921	0.8
467.18329	0.4
468.13690	2.1
469.14740	7.6
470.15137	1.8
471.16565	0.6
472.17651	0.8
481.14545	2.5
482.15775	10.0
483.16544	9.9
484.17151	2.6
485.18124	1.2
495.16928	2.0
496.17456	6.6
497.18164	38.6
498.18665	6.3
499.20309	0.6
500.16956	0.9
501.17938	0.3
510.19186	2.0
511.19830	5.0
512.20135	1.5
515.19360	2.3
523.16882	0.4
524.17737	0.4
525.18335	0.4
528.16199	1.7
538.20288	0.6
539.22223	0.5
541.17456	0.8
542.17932	2.5
543.18610	0.5
555.18658	3.0
556.19275	3.5
557.20367	3.4
558.20172	0.5
569.20209	0.9
571.21783	0.7
573.23083	0.4
575.20892	0.5
585.22241	0.3
616.21619	1.5
617.21936	0.6
629.22260	1.1
630.23273	0.5
643.23975	7.6
644.24652	8.5
645.24774	1.9
646.22583	0.4
657.25458	7.1
658.25739	1.2
660.24036	0.9
675.26520	100.0
676.26740	12.7
676.38300	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	677.3696
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56644	0.2
51.97803	0.2
52.38911	0.2
53.40501	0.2
54.57490	0.2
57.07018	0.3
60.80704	0.2
65.60101	0.2
67.05436	0.4
67.60416	0.2
69.03375	0.2
69.06993	0.3
69.31107	1.9
70.06540	0.3
71.08568	0.2
72.35910	0.2
79.05401	0.6
81.06992	0.4
91.05407	0.3
93.06958	0.6
94.27900	0.2
95.04871	0.2
95.08514	0.4
97.02777	0.3
105.06925	0.6
119.08510	0.3
121.09972	0.2
127.03879	0.2
131.08492	0.2
133.10094	0.2
136.58223	0.2
143.00055	0.2
145.10037	0.3
149.02254	0.2
163.11015	0.2
185.04160	0.5
203.05174	1.3
225.23361	0.2
256.26242	0.2
259.07922	1.2
297.09415	0.2
298.53329	0.2
305.08365	0.4
347.09314	1.2
349.66727	0.2
365.10526	3.3
402.15390	0.4
421.13141	1.4
515.31818	25.2
516.32416	0.4
573.21503	0.2
574.22052	0.3
590.22021	0.5
648.42920	0.2
677.37012	100.0
678.37427	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	672.5248
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	2.6
57.07069	31.7
59.05000	0.6
67.05497	1.0
69.07062	4.4
69.83463	1.3
69.83870	1.1
71.08623	28.2
72.53323	0.4
73.02912	0.5
73.06545	9.6
74.99402	0.4
79.05489	1.4
81.07056	1.3
83.08610	5.2
83.78443	0.4
85.10171	19.9
86.10550	0.3
87.04459	7.8
89.06020	100.0
90.46730	0.3
91.05470	0.9
91.07577	0.9
93.07042	0.8
95.08591	1.2
97.10159	4.8
99.11733	3.1
105.06990	0.9
107.07069	4.0
109.10138	0.6
111.11701	3.0
113.13266	1.8
117.09116	7.7
119.08544	0.8
121.10118	0.5
125.13226	2.3
127.14818	1.7
130.08630	5.0
131.07022	2.7
133.08588	58.6
135.10159	1.0
139.14801	0.8
141.16367	1.1
155.17926	0.5
159.72787	0.3
161.11696	2.1
164.06664	0.5
175.09674	2.1
177.11206	25.9
179.12683	0.4
195.62183	0.5
197.22679	2.8
219.12111	0.9
221.13789	4.7
233.05669	0.4
239.14793	2.3
241.25281	2.8
265.16455	1.0
283.17468	2.4
285.27859	10.2
307.22928	0.8
309.19058	1.3
327.20135	1.9
329.30460	5.5
353.21634	0.8
371.22733	1.1
373.33224	0.6
415.25110	1.3
459.27957	5.6
567.44220	0.8
581.41937	0.5
611.46710	0.8
655.49744	9.2
656.49548	0.5
672.52448	7.4
673.25677	1.2
673.42944	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	674.5036
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67487	0.4
55.05505	2.8
56.30952	0.4
57.07067	34.4
58.37588	0.5
59.04982	0.8
64.99999	0.4
67.05491	1.1
69.07035	1.1
71.08618	24.6
71.63273	0.9
73.02879	0.7
73.06542	9.7
73.33220	0.5
79.05470	1.2
81.03366	0.5
81.07029	1.1
83.08601	2.5
85.10168	20.4
86.09671	0.6
87.04453	10.5
89.06016	100.0
90.06355	0.7
91.05502	1.1
91.07591	1.2
93.07047	0.9
95.04948	0.5
95.08604	0.8
97.10159	4.2
99.11727	3.9
103.71448	0.4
107.07046	4.3
111.11710	0.9
113.13253	1.3
114.09153	0.7
117.09114	8.9
121.10062	0.5
130.08618	4.1
131.07034	3.8
133.08580	55.4
134.08899	0.9
135.10136	1.5
139.28276	0.4
151.09633	0.5
155.17931	5.1
161.11664	3.0
175.09630	2.5
177.11200	25.2
184.07381	1.5
199.20573	4.8
205.14485	0.5
217.14406	0.6
219.12323	1.0
221.13797	5.2
223.15393	0.5
239.14903	1.6
240.23247	2.0
243.23158	12.4
265.16580	0.8
283.17523	3.1
287.25784	8.4
309.19043	0.6
327.20187	1.7
335.25842	0.6
353.21655	1.1
371.22748	0.8
415.25284	0.7
437.34982	0.8
459.27856	1.1
477.35760	0.7
503.30576	3.6
505.69672	0.5
560.63660	0.5
657.47656	8.8
674.50623	8.1
675.50665	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.3239
Annotation	Unknow
Peak:m/z	Relative Intensity
57.31954	0.2
82.68552	0.2
90.34640	0.2
98.20688	0.4
113.97305	0.2
126.78082	0.2
185.04204	0.5
203.05280	0.7
229.60559	0.2
245.06303	0.3
259.07883	0.2
329.08331	0.2
347.09436	2.8
356.67059	0.2
365.10428	0.2
421.13132	0.8
472.30722	0.2
494.56259	0.2
509.27145	11.0
510.27444	0.5
671.32367	100.0
672.32697	3.9
672.43207	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.3061
Annotation	Unknow
Peak:m/z	Relative Intensity
55.48898	0.5
58.50783	0.5
61.99022	0.6
70.12961	1.3
70.13369	2.2
70.80595	0.6
73.65901	0.5
75.99339	0.6
79.05502	1.0
81.07034	0.7
83.04993	0.6
93.07017	0.7
95.08610	0.6
98.21365	0.7
132.08000	0.6
197.10876	0.6
230.91969	0.5
237.10376	0.5
237.13841	1.0
262.13202	0.6
367.19193	1.6
380.19922	0.8
381.17050	1.1
391.19528	0.9
393.20956	0.7
395.18622	1.1
396.19586	0.8
405.21408	0.7
407.18210	0.8
408.19522	0.8
409.20450	1.1
410.21033	1.1
421.20264	0.9
422.20935	0.9
423.17978	0.8
425.23419	1.0
431.18512	0.7
436.23123	0.7
437.23639	1.6
438.20474	3.0
439.21582	1.6
445.20187	1.3
446.21246	0.7
447.22156	1.1
449.23636	1.2
451.21658	0.6
453.22809	7.8
454.23291	0.9
459.22144	0.7
460.22678	1.8
462.20554	0.9
465.22714	1.0
467.24609	0.6
469.25897	2.1
474.24219	1.7
475.25134	0.6
476.22037	1.8
477.22827	2.3
479.20963	1.8
481.22299	0.8
483.24213	0.9
492.21396	0.7
493.22537	0.9
495.23181	1.0
496.24844	0.8
497.25180	4.8
501.22650	1.4
502.23627	1.8
503.21127	1.9
507.23904	1.4
511.27179	1.2
512.27637	5.7
521.21918	0.8
523.19653	0.7
524.24054	1.5
525.24725	2.8
529.22473	0.8
533.26147	2.6
535.27386	1.1
536.23785	1.3
537.24915	0.9
538.25916	3.1
539.26465	0.8
540.27124	7.1
545.25586	3.8
551.26166	2.0
561.24982	3.2
562.25104	0.7
563.26355	2.3
564.23541	0.7
579.25989	1.7
589.24438	5.2
593.27576	0.9
607.25006	1.2
611.24988	4.0
621.27368	0.8
627.27905	1.8
639.27869	10.5
653.29120	1.6
671.30585	100.0
672.31177	4.4
682.17883	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.3065
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09303	0.5
57.07067	0.8
57.45727	0.5
67.05501	1.0
69.07046	0.5
79.05492	0.8
83.04968	1.1
91.05467	0.9
95.08575	1.0
101.06474	0.5
105.07039	0.7
106.33997	0.6
127.20989	0.5
147.83107	0.5
159.11664	0.6
223.12216	0.7
225.13889	0.6
237.13870	0.8
365.18039	0.6
366.18298	0.7
367.19305	1.2
379.19241	0.8
381.17059	1.1
393.20969	0.8
395.18640	1.5
404.19989	0.9
405.20706	0.7
407.18301	1.0
409.20480	0.9
410.20746	1.5
419.18414	0.7
421.20264	0.9
422.21039	0.9
423.22293	0.7
431.18594	0.9
433.20282	1.1
436.23166	0.7
437.23639	1.5
438.20410	3.0
439.21213	1.2
445.20316	2.0
446.21136	0.9
447.22195	1.0
449.23969	0.9
451.21500	0.9
453.22809	6.8
454.23590	1.4
459.21606	0.7
460.22650	1.2
462.20490	0.7
463.21097	1.0
465.22818	1.1
469.25980	1.5
474.24173	1.1
476.22141	1.3
477.22903	1.7
483.24167	0.8
491.20724	0.8
495.23984	1.0
497.25507	3.5
501.22839	1.3
502.24051	3.0
503.20496	1.3
507.23645	0.9
510.25677	0.8
511.26675	0.8
512.27728	4.0
521.21356	0.7
523.19171	1.1
524.24426	0.8
525.24646	2.7
529.22247	1.3
530.22986	1.3
533.25189	2.6
535.24481	0.6
536.23956	1.2
537.24158	0.5
538.25702	2.2
539.25824	0.9
540.27222	8.0
545.25513	3.5
551.26996	2.5
561.25201	2.5
563.26459	1.6
565.24860	0.6
573.48694	0.9
579.25909	1.9
589.24500	4.6
593.27527	1.5
607.25574	1.3
611.26361	3.2
621.26990	0.9
627.28296	0.9
639.27704	7.4
653.29193	1.2
655.31024	0.6
671.30615	100.0
672.30920	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	670.2848
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.0
55.05497	0.5
56.05048	0.5
58.37717	0.3
60.04522	0.5
61.02914	0.4
63.84655	0.3
66.04718	0.3
67.05508	0.3
68.05013	1.4
69.03419	1.2
70.06581	95.1
71.04987	0.5
71.06915	0.5
71.62761	0.4
71.63120	0.4
72.08137	1.2
76.88329	0.3
79.05483	0.7
80.05017	0.6
81.03404	2.2
81.07043	0.4
82.06570	2.8
83.07377	0.3
84.04477	1.4
84.08134	7.7
85.02888	2.6
86.09695	3.8
88.03996	0.4
91.05466	1.0
94.04207	1.4
95.04951	0.5
96.08114	1.1
97.02885	0.9
97.06570	0.4
100.07600	16.1
101.07121	0.4
102.05460	0.4
108.08158	0.3
109.02864	4.0
110.07140	0.3
119.04931	0.4
120.08079	1.7
122.03620	2.2
122.05988	0.3
122.09657	0.6
123.04404	13.2
123.05306	0.7
127.03907	1.0
129.06978	0.3
129.10220	1.0
131.04916	0.6
133.08885	0.4
134.09616	1.5
135.04414	1.1
136.07576	0.9
136.11221	0.4
137.05956	45.5
138.09091	0.6
140.10681	0.3
145.02831	0.7
145.06427	0.5
146.09613	0.6
148.07588	0.6
148.11259	0.6
149.05977	0.5
150.09108	1.9
151.07581	0.4
152.10730	0.5
153.01701	0.4
153.06973	0.5
157.52888	0.4
160.11140	0.4
161.05959	0.6
163.07530	1.3
171.08008	0.4
172.11276	0.6
173.12834	0.3
175.07538	0.9
176.10709	0.6
177.05420	2.2
178.08597	1.0
179.07054	0.7
181.06479	1.2
183.08038	0.5
185.12009	0.9
186.09140	0.4
187.07605	0.9
188.10678	0.7
189.09152	0.4
190.12276	1.1
199.07498	0.3
200.10666	2.5
201.09126	0.8
201.12271	0.4
202.12228	0.4
203.06845	0.3
204.10196	1.3
209.80847	0.3
213.09161	1.0
213.11339	0.5
214.12276	0.7
216.10188	0.4
217.08693	0.5
218.11775	1.1
225.09071	0.6
230.11809	0.9
231.06514	0.3
232.13300	0.6
241.08582	0.4
243.10210	0.4
253.12448	0.4
255.12573	0.3
256.13315	0.4
258.14725	0.4
259.09595	1.6
270.14835	0.7
281.11746	0.5
285.11273	0.6
288.15955	0.4
291.44662	0.3
294.14783	0.6
303.05014	1.1
304.05478	0.9
312.16010	0.5
320.16629	0.4
326.08661	0.3
326.17517	0.3
340.15524	0.8
350.17487	3.6
354.17050	0.9
358.16443	1.6
368.18634	1.1
375.15854	0.5
403.15131	0.6
432.19830	0.3
450.21481	0.5
490.22263	1.6
497.98334	0.3
508.23306	1.2
511.60675	0.3
516.22162	0.4
520.22253	0.6
575.04144	0.4
634.25970	0.9
652.27356	8.9
670.28455	100.0
671.28564	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	670.3996
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05254	1.5
55.05502	16.9
57.03437	5.9
57.06853	1.0
57.07068	10.1
59.41506	1.0
59.83247	1.2
61.02917	27.8
67.05496	29.8
69.03398	3.5
69.07059	33.0
70.06574	1.6
71.04972	2.4
71.08622	6.9
71.63240	2.1
73.02902	9.7
79.05062	1.1
79.05482	15.1
81.03390	1.8
81.07043	38.0
83.04957	1.4
83.08130	2.1
83.08605	29.1
85.02893	37.4
85.06503	1.7
85.10161	3.1
91.03388	2.4
91.03939	33.5
91.05438	2.1
93.07038	18.8
95.08598	22.9
97.02876	16.4
97.06531	8.6
97.10156	16.2
99.04445	1.6
99.08075	1.9
107.08571	17.2
109.10140	16.1
111.08061	4.4
111.11715	2.6
121.10128	42.0
123.11687	12.0
125.09608	4.1
127.03899	11.8
135.11674	31.5
137.13234	8.3
139.11160	4.2
145.04944	13.2
149.13249	10.3
151.14749	2.0
153.12756	2.3
155.56139	1.1
161.09615	1.3
163.05992	23.1
163.07333	1.6
163.14821	5.4
171.33089	1.2
177.16374	3.0
219.21056	39.6
237.22087	84.6
238.22327	1.6
247.82559	1.2
255.23154	21.7
311.22107	2.8
311.25742	59.5
329.26804	100.0
330.27066	2.0
670.25653	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	670.3996
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.3
55.01859	0.7
55.05500	18.4
57.03433	7.1
57.06784	0.6
57.07064	11.4
61.02916	28.7
61.91917	0.6
63.33552	0.6
66.57785	0.6
67.05493	28.7
69.03424	3.4
69.07056	32.8
70.06625	3.2
71.04967	2.7
71.08611	6.1
73.02554	0.8
73.02905	10.6
73.06551	0.6
75.04453	2.1
77.03197	0.6
79.05051	1.1
79.05479	13.6
81.03383	2.2
81.07044	43.4
83.04950	1.8
83.08603	33.2
85.02889	36.4
85.06512	1.9
85.10163	4.2
87.04472	1.0
91.03940	30.8
91.05430	1.1
93.05414	0.6
93.06463	1.4
93.07030	19.3
95.08591	30.2
97.02268	1.2
97.02875	18.8
97.06520	10.5
97.10155	17.6
99.04420	1.8
99.08050	1.8
103.03858	0.6
105.06989	0.6
107.08570	19.4
109.02868	1.2
109.10133	15.1
111.07365	0.8
111.08067	8.1
111.11694	4.9
113.09580	1.0
115.03891	1.7
115.07539	1.2
115.11185	1.5
121.10120	46.4
122.10416	1.2
123.11678	13.0
125.09608	3.8
125.13195	1.2
127.03890	12.8
127.11161	1.4
129.09065	1.0
135.11668	35.9
136.11980	0.9
137.13219	9.9
139.11128	5.0
139.14787	0.7
141.12672	1.5
143.10620	1.4
145.04939	15.4
149.13234	13.3
151.14807	1.6
153.12701	1.9
157.12155	1.3
163.05991	25.9
163.14777	6.4
167.14267	1.4
171.13734	0.7
177.16374	1.6
181.15820	0.9
185.15256	1.1
185.75443	0.7
199.16748	0.7
213.18286	0.8
219.21046	44.4
220.21248	0.7
237.22087	85.1
238.22482	2.5
255.23154	26.6
311.25751	78.0
312.26047	2.0
329.26794	100.0
330.27039	2.3
346.13980	0.8
347.75452	0.7
455.30591	0.7
465.47787	0.7
473.30975	6.9
697.02209	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.2904
Annotation	Agrimol G
Peak:m/z	Relative Intensity
52.13261	0.3
62.37833	0.3
67.05509	0.9
71.63096	0.8
72.13693	0.4
75.04460	0.5
81.07051	0.5
83.08600	0.4
93.07026	0.5
97.06474	0.4
121.10130	0.4
133.10065	0.4
199.27768	0.4
249.10231	0.5
326.34387	0.4
360.14444	0.4
377.17831	0.5
390.18478	0.5
391.15005	0.6
391.19543	0.9
393.20932	2.9
404.15753	0.5
404.20447	0.6
405.16309	1.9
405.21365	0.9
406.17465	0.6
406.22037	0.7
407.18262	0.8
418.17508	0.4
419.18793	2.3
420.19431	3.2
421.20233	4.4
431.18686	0.8
433.15372	0.5
433.20294	1.5
434.21445	0.9
435.22479	0.8
445.20526	0.9
447.17371	2.6
448.18628	3.4
449.19708	4.6
450.20123	0.6
461.20456	2.1
462.20224	1.2
463.21719	1.3
473.20288	1.1
475.21368	1.7
476.18585	1.7
477.18945	2.7
479.24997	0.5
489.18747	1.9
490.19885	0.8
491.20850	1.6
492.21613	0.8
493.22812	0.6
503.20822	1.6
507.24173	3.8
517.22638	0.6
521.25391	1.0
523.22839	0.7
534.22351	0.5
535.23328	10.3
536.23755	0.5
549.24896	4.2
559.23669	1.9
563.22809	14.8
564.23102	0.5
567.26019	0.8
577.24219	4.7
578.25183	0.8
579.25610	1.0
581.27570	2.6
595.25342	4.2
609.27039	5.6
619.25488	1.1
623.24878	6.1
637.26703	2.0
641.29565	1.7
669.29095	100.0
670.29492	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.3684
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51784	0.7
55.01866	0.8
55.05507	6.2
57.03426	4.3
57.07069	3.8
61.02905	3.6
61.47826	0.7
67.05498	21.0
69.03422	0.8
69.06717	1.0
69.07063	11.4
70.06569	1.5
70.40173	2.8
71.04983	1.4
71.08613	2.1
73.02907	1.2
79.05491	6.4
81.03425	1.1
81.07049	31.7
83.04963	2.0
83.08606	6.6
85.02905	4.7
85.06520	2.7
85.10166	2.0
86.09671	0.9
91.03947	2.6
91.05460	6.5
93.07027	9.7
95.04964	1.0
95.08595	28.8
97.02881	2.9
97.06498	3.9
97.10149	4.4
99.04448	0.8
99.08119	3.6
103.03938	3.0
105.07029	5.3
107.04947	0.9
107.08566	6.1
109.06501	1.3
109.10156	10.2
110.07135	0.9
111.08052	1.8
111.11716	1.6
113.09599	2.4
117.06982	1.3
119.08544	7.2
119.81535	0.6
121.06476	1.3
121.10131	7.1
123.08051	1.5
123.11716	5.4
125.09590	1.3
127.03857	1.5
129.05467	1.5
129.06952	0.7
131.08627	0.9
131.91647	0.8
133.10127	9.7
134.77147	0.7
135.11673	6.5
137.09607	1.2
137.13240	4.5
138.92757	0.8
145.04979	1.2
147.11668	6.8
149.13252	1.7
151.11172	1.4
151.14801	5.9
153.12729	1.5
161.13243	5.7
163.06027	1.5
175.14821	2.9
217.19478	20.8
218.19771	1.1
235.04758	0.8
235.20552	31.1
253.21724	1.2
309.24176	9.4
320.27603	1.0
327.25269	100.0
328.25568	3.9
397.25916	0.9
435.27414	1.2
453.28400	1.1
471.29688	1.3
489.30447	6.0
597.28625	0.9
614.66412	0.9
669.30792	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	668.3838
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43521	0.6
54.68016	0.6
55.05500	5.5
57.03421	4.1
57.07064	9.0
57.99368	0.5
61.02916	20.3
65.03921	0.8
67.05490	39.1
69.03399	2.4
69.06703	1.0
69.07050	11.7
69.89613	2.6
69.90023	1.3
71.04955	1.6
71.08628	2.8
73.02901	9.1
75.04494	0.6
79.05039	1.0
79.05473	10.4
81.03387	1.3
81.07037	46.3
83.04963	1.1
83.08184	0.8
83.08606	7.2
85.02886	27.1
85.06509	2.5
85.10149	2.2
86.52086	0.6
91.03939	21.7
91.05465	10.6
93.07022	13.6
95.04962	0.8
95.08587	45.2
97.02875	11.7
97.06517	4.3
97.10145	4.5
98.20851	0.8
99.04488	0.9
99.08056	4.6
100.65963	0.7
105.07007	6.3
107.08562	7.0
109.02844	0.7
109.06464	0.8
109.10133	18.0
111.08051	2.8
111.11650	1.8
113.09646	5.8
115.03909	1.1
119.08556	10.2
121.10120	12.5
121.10983	0.7
123.08016	0.9
123.11676	10.1
125.09570	1.4
127.03897	8.7
127.11154	4.4
131.08556	0.9
133.10103	13.9
135.11668	14.0
137.09584	1.5
137.13225	14.4
139.11121	1.5
141.12691	0.7
145.04932	11.6
147.11652	8.4
149.13216	3.9
151.11136	1.0
151.14804	10.9
153.12679	1.3
161.13219	12.7
163.05989	23.8
163.14798	1.0
165.12665	1.1
175.14806	4.4
179.14276	0.7
189.16341	2.8
191.17862	0.6
217.19467	61.4
218.19800	1.8
235.20517	100.0
236.20821	4.2
237.22113	1.7
239.86305	0.6
253.21606	3.2
309.24170	22.8
310.24689	0.6
325.11292	0.8
327.25247	12.3
327.28922	1.2
357.66876	0.6
471.29254	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	666.529
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93322	1.4
51.99723	1.7
53.03938	2.2
55.01855	1.9
55.05505	17.4
57.03430	4.0
57.07065	8.0
57.42868	1.3
64.38371	1.6
64.44620	1.4
65.03931	1.7
67.05492	66.0
69.06709	2.3
69.07055	23.8
71.04956	3.3
71.08614	6.3
71.57632	1.5
79.05478	27.0
81.07043	66.6
83.04964	8.1
83.08602	15.0
85.06544	1.7
91.05460	24.7
93.07027	34.9
95.04951	8.1
95.08588	39.0
97.06500	6.1
97.10151	3.9
99.08068	4.9
105.07020	12.1
107.08563	19.9
109.06521	3.0
109.10142	20.4
111.08080	4.7
117.06987	4.8
119.08536	10.2
121.10132	10.8
123.08060	1.8
123.11688	6.2
125.09624	1.8
129.06995	3.0
131.08525	5.2
133.10103	9.9
135.11665	6.5
137.13251	1.8
138.83363	1.4
139.11172	1.9
145.10080	3.6
147.11667	6.2
149.13213	7.5
151.11157	4.8
157.10136	2.1
159.11688	6.2
161.13239	3.9
161.14648	1.3
163.11217	2.1
163.14766	3.6
175.14888	1.6
177.12695	1.4
179.14275	1.7
195.13782	3.4
209.27168	1.4
216.83502	1.4
229.14360	4.1
251.16498	2.3
260.04349	1.4
263.23697	3.1
269.17477	14.1
277.21594	7.4
301.68811	1.5
316.15036	1.5
327.07843	2.0
328.08148	3.8
329.08408	4.0
337.27295	29.7
338.27621	1.9
341.27002	1.9
351.21475	1.6
351.25250	8.4
353.26883	2.8
385.14731	2.4
440.20215	2.2
441.20920	4.6
442.20694	1.9
491.37192	6.3
497.26889	2.4
498.27524	2.7
521.85455	1.6
531.40344	100.0
532.40558	10.3
539.44312	1.9
553.33624	4.7
554.33508	6.0
593.26520	1.7
609.39679	1.9
610.40063	8.0
613.48114	8.9
631.48505	1.9
666.44934	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	666.4927
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	6.8
55.01871	5.2
55.05503	28.7
57.03424	17.8
57.07062	4.3
67.05494	100.0
69.03400	3.2
69.07056	24.9
71.04986	20.8
71.64017	5.9
71.64400	2.9
79.05476	88.4
81.07045	93.3
83.04970	5.1
83.08613	17.5
85.06505	5.2
91.04532	3.1
91.05462	50.4
93.07031	97.8
95.04958	11.5
95.08592	49.5
97.06526	15.0
97.10162	6.3
97.57686	2.7
99.08053	5.6
105.07008	37.9
107.08585	42.7
109.06512	8.0
109.10124	30.2
111.08052	6.8
117.07026	18.3
119.08571	30.8
121.09276	5.0
121.10107	42.2
123.08067	4.5
123.11693	9.9
125.09628	4.3
129.06969	6.7
131.08543	23.8
133.10091	24.3
135.11641	18.9
137.09598	6.1
141.07016	3.8
143.08554	6.5
145.10130	17.0
147.11641	17.5
149.13246	10.5
150.61789	3.2
151.11171	4.8
157.10159	5.1
157.53104	3.4
159.11699	12.1
161.13240	5.0
163.11194	4.0
171.11693	3.1
173.11789	7.6
173.13200	7.5
183.11743	4.3
185.13261	3.4
191.14169	4.8
195.13879	4.9
197.13315	4.6
199.13007	3.8
199.14755	6.3
209.15318	3.6
215.17903	10.8
227.12831	4.0
229.14334	17.1
233.19020	10.4
241.74844	3.1
257.19031	6.1
269.17432	14.4
275.20001	19.0
307.22632	99.2
349.23761	9.4
392.83975	3.3
461.33005	15.1
501.35645	98.6
502.35721	7.7
541.38831	77.2
542.38928	4.0
581.41821	30.2
613.44543	15.2
666.42596	3.7
667.27740	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	666.4565
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	9.2
55.01863	7.5
55.05260	2.2
55.05508	31.9
57.03427	10.4
57.07059	7.1
59.04980	1.8
61.02897	2.4
65.03948	3.5
65.34635	1.6
67.05498	87.8
69.03419	40.5
69.07056	31.6
71.01340	3.9
71.04978	11.9
73.02906	2.2
77.03919	2.5
79.05486	70.0
81.03410	52.6
81.07049	100.0
82.07352	1.7
83.01311	1.7
83.04604	1.7
83.04985	16.5
83.08615	20.2
85.02897	30.9
85.06528	8.2
87.04449	3.4
87.48159	1.8
88.69706	1.9
91.05468	66.1
93.07034	93.4
94.07359	2.0
95.04962	20.7
95.08598	78.0
97.02882	18.7
97.06522	68.6
97.10156	6.8
98.03236	1.9
99.04434	8.3
99.08073	4.2
101.06001	1.7
101.99614	1.6
103.03902	2.8
103.05442	4.0
105.07017	61.4
107.04951	9.6
107.07847	3.3
107.08585	67.4
109.02854	13.6
109.06506	20.3
109.10143	44.7
110.75565	1.6
111.04440	16.5
111.08065	8.1
111.11695	2.5
115.03926	2.4
115.05482	4.0
117.07010	30.4
119.08571	53.1
121.06509	11.0
121.09300	3.2
121.10130	53.4
123.04411	5.1
123.08054	8.3
123.11691	16.8
125.05991	3.2
125.09622	4.1
127.03890	15.4
127.07566	2.9
128.06201	5.6
129.05482	5.0
129.06990	18.1
130.07759	2.1
131.08554	54.8
133.06465	8.4
133.10112	45.2
135.08043	9.2
135.11687	31.6
137.05997	2.2
137.09592	9.4
137.13225	5.2
138.14725	1.9
139.07489	4.4
139.11139	5.1
140.45998	2.0
141.06982	6.0
142.07773	3.7
143.08542	21.1
144.09283	2.1
145.04939	2.7
145.06436	7.6
145.10114	36.3
147.08032	7.8
147.11668	34.3
148.11902	2.0
149.09636	9.5
149.13240	24.6
151.07527	5.8
151.11147	8.1
153.09077	4.4
155.08528	10.4
156.09273	2.7
157.06479	2.6
157.10091	14.8
159.08069	5.0
159.11678	30.2
161.05989	2.2
161.09595	5.3
161.13258	18.8
163.11192	6.1
163.14775	9.3
165.12729	3.6
167.08551	5.1
169.10085	8.3
169.12233	4.5
171.07980	2.9
171.11665	18.0
173.09561	5.7
173.13246	24.7
175.11177	8.0
175.14793	6.2
177.09145	3.9
177.12733	4.2
179.08501	2.8
179.14246	2.8
181.10069	5.2
182.11188	1.9
183.07979	3.6
183.11671	10.8
185.09592	3.9
185.13190	10.8
187.11192	5.2
187.14787	11.3
189.12738	6.8
189.16327	2.7
191.10690	3.7
191.14310	14.8
193.10349	1.9
193.12238	3.8
195.11671	5.4
197.09633	2.3
197.13222	8.1
199.11108	3.7
199.14818	9.0
201.12758	4.1
201.16449	3.6
203.10664	3.3
203.14322	2.5
205.12274	2.8
205.15889	2.0
207.11841	1.8
207.13885	4.7
209.11563	2.5
209.13263	4.7
209.15352	16.1
211.11139	5.3
211.14777	2.7
213.12717	3.0
213.16461	4.5
215.14378	2.9
217.12234	1.8
217.15892	1.9
221.15337	2.8
223.14857	3.7
223.16785	2.6
225.12773	2.1
227.14314	3.2
227.16312	23.4
231.13869	2.3
233.15401	2.8
233.18965	2.0
235.13141	2.7
237.38113	1.8
241.19511	4.9
243.13779	3.4
243.21027	6.3
245.11145	2.0
255.21059	2.6
257.19095	2.4
259.20615	10.5
261.22092	17.3
271.20450	3.2
273.22119	5.3
275.20010	2.7
277.14175	2.4
277.21646	16.7
279.23175	4.2
283.20688	3.5
285.22049	5.4
289.21512	8.1
291.23126	8.1
295.15494	3.1
297.21878	3.3
299.20044	2.2
301.18106	3.3
301.21579	10.4
301.24576	1.8
303.23160	22.5
307.18857	2.1
307.22519	3.2
309.22095	2.9
313.21512	3.6
315.23224	11.7
317.17355	3.6
317.24911	2.4
319.22601	6.6
323.23694	4.2
327.23190	10.5
331.22534	3.1
333.21765	2.6
335.18271	2.8
335.25784	5.0
339.22995	2.7
341.24799	13.3
343.22565	2.6
345.24368	5.8
351.23117	18.0
357.24353	3.2
359.25781	5.9
369.24194	52.9
370.24753	3.3
387.25241	66.5
388.25546	2.2
405.26318	65.1
406.26474	2.8
423.27438	24.5
548.82367	2.0
576.33301	2.1
609.93060	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	666.3685
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.7
55.01857	1.2
55.05503	5.7
57.03433	5.5
57.07066	4.2
59.58888	0.8
61.02918	31.4
67.05494	36.2
69.03390	3.5
69.07047	6.3
71.04980	4.1
71.08606	0.8
71.62852	0.9
71.63338	1.3
71.97112	0.8
73.02910	11.9
79.05480	33.4
79.44463	0.9
79.80873	0.9
81.03408	1.5
81.07044	40.9
83.08611	4.9
85.02893	39.7
85.03425	1.2
85.06524	5.6
91.03944	33.0
91.05466	15.3
93.07027	44.6
95.04951	3.4
95.08591	30.0
97.02872	16.3
97.06496	3.5
97.10136	1.8
99.04453	2.0
99.08060	6.5
105.07018	12.7
105.71374	0.9
107.08575	25.4
109.06487	1.4
109.10146	17.2
111.08067	2.7
113.09608	3.5
113.69909	1.0
113.77086	0.8
115.03892	2.2
117.07009	7.0
119.08564	13.0
121.10130	31.9
123.08022	1.5
123.11685	10.9
125.09608	1.9
126.03925	0.9
127.03901	13.8
129.06966	0.9
131.08548	20.2
133.10114	17.8
135.11670	43.4
137.09543	2.4
137.13220	3.2
139.11119	1.3
145.04945	19.1
145.10104	17.2
147.11667	10.9
149.09589	2.4
149.13240	21.9
150.13457	1.3
151.11140	2.9
156.72723	0.8
159.11674	17.5
161.13257	4.1
163.05991	31.9
163.11156	2.5
163.14909	1.1
164.67242	0.8
165.12733	1.3
173.13226	15.1
175.14772	2.6
177.12711	2.1
180.74651	0.8
187.14789	4.5
189.16299	1.8
205.19493	7.4
215.17926	68.7
233.18973	100.0
234.19273	1.5
235.20522	2.0
251.20021	2.3
307.22577	11.1
325.10944	1.1
325.23688	47.2
332.83588	1.0
362.80508	0.9
426.34537	1.0
469.27832	2.8
591.85596	0.9
687.60425	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	664.3528
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.4
55.01857	1.1
55.05501	5.2
57.03437	6.5
61.02918	2.2
67.05495	24.9
69.03414	6.2
69.07066	7.7
69.43546	1.8
69.43954	7.7
70.06586	4.8
71.04985	5.1
73.32466	0.9
79.05482	10.7
80.98526	0.9
81.03410	4.0
81.07049	35.1
82.07375	1.1
83.04972	4.1
83.08619	4.4
84.08149	1.7
85.02901	3.4
85.06541	2.9
86.09706	2.9
89.73435	1.0
91.03921	1.5
91.05474	23.3
92.60877	1.0
93.07036	22.7
95.04951	3.0
95.08598	50.3
96.08954	1.0
97.02868	1.4
97.06509	4.8
99.04452	3.5
99.08092	1.7
105.07013	14.1
107.04951	1.3
107.08564	8.7
109.06496	2.9
109.10139	21.0
111.08031	1.3
113.06007	2.7
117.07051	1.5
119.08571	32.9
121.06517	4.5
121.10117	12.8
123.08061	3.8
123.11694	14.7
127.03892	1.2
127.07572	1.4
129.06998	1.1
131.08539	2.4
133.10153	2.6
135.08035	3.0
136.06206	3.1
137.09602	39.8
137.79390	0.9
138.09927	1.2
141.09143	1.1
147.08037	3.1
147.10492	1.8
147.11665	36.9
148.11913	1.0
152.07909	1.0
155.10620	5.2
157.10060	1.3
163.07489	1.4
165.09084	6.3
165.12733	13.3
175.11238	1.4
181.08560	1.0
183.10129	2.0
183.13806	2.4
193.12195	1.1
199.82294	0.9
201.11189	3.4
229.14351	3.8
239.12744	38.1
240.13168	1.3
241.14294	1.1
255.12434	1.1
257.13818	64.9
258.14243	2.2
267.15887	44.5
268.16293	1.9
269.17471	2.2
285.16931	46.7
286.17331	1.1
335.75247	1.0
352.07150	4.0
431.24252	2.8
449.25244	16.9
467.26352	100.0
468.26813	6.6
538.17358	1.0
593.29523	1.5
611.30646	1.4
664.24634	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	664.5134
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.2
55.01855	2.7
55.05499	30.8
57.03432	18.1
57.07067	18.1
65.03932	3.6
67.05492	94.1
69.07055	44.0
71.04964	7.1
71.08614	10.5
75.22990	1.8
79.05479	57.2
81.03410	3.0
81.07042	100.0
83.04962	8.6
83.08599	21.9
85.06503	4.3
87.04448	4.0
91.05464	57.6
93.07030	59.1
93.07617	3.0
95.04956	12.2
95.06049	11.8
95.08588	70.2
97.06508	9.6
97.10164	13.7
99.08070	7.4
103.05449	3.7
105.07008	45.5
107.04906	2.9
107.08575	37.4
108.23956	1.8
109.06493	7.5
109.10131	23.6
111.08076	4.7
111.11744	3.6
113.09644	3.1
115.05431	2.5
117.06985	17.1
119.08568	33.3
121.10117	25.4
123.11687	8.2
125.09601	8.2
129.06967	8.7
131.08543	28.2
133.10101	22.6
135.08116	2.2
135.11681	14.1
137.09561	2.3
137.13251	2.6
142.07799	2.5
143.08543	7.7
145.10104	27.4
147.11676	22.4
149.09583	6.5
149.13239	7.8
151.11174	2.6
155.08620	3.0
157.10129	9.3
159.11665	16.8
161.13251	10.2
163.11096	5.0
163.14769	4.6
165.12714	3.6
169.10129	2.3
171.11641	5.5
173.13165	9.7
175.14777	5.7
177.12733	2.9
177.16399	2.0
179.14461	1.6
181.10046	2.2
183.11676	5.1
185.13278	12.6
187.14833	4.0
189.11172	3.7
191.14342	2.3
197.13304	3.5
203.14302	6.2
205.15837	2.5
219.17416	6.2
227.12729	17.1
229.14363	2.7
239.17896	7.3
243.20889	3.0
243.32375	1.8
257.18961	23.6
259.20471	4.0
261.22119	4.3
263.23700	4.4
269.17355	3.2
275.20020	40.4
277.21613	4.0
279.23099	2.8
293.21255	3.1
311.37207	2.3
313.27808	3.3
327.07730	6.1
328.07983	3.7
331.22595	4.5
333.24057	2.4
335.25745	8.4
337.27307	88.6
349.23633	34.6
351.25201	7.5
353.26788	5.0
383.13782	2.4
384.14377	5.5
439.20059	2.5
440.20630	5.3
489.35358	2.4
491.37112	5.9
492.37695	3.4
496.26538	5.3
507.36157	4.7
515.40839	2.6
517.38605	3.0
529.38770	12.0
548.43073	2.6
551.32599	2.7
552.32874	12.4
555.44012	2.4
593.46130	2.3
608.39203	7.6
611.46539	44.4
620.45874	2.5
620.54858	14.7
629.47614	5.2
646.49487	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	663.4522
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	0.5
57.07068	54.3
57.40900	0.3
58.07395	0.4
69.62378	2.5
76.49474	0.3
77.03615	0.5
77.04015	0.7
87.04469	1.0
91.05465	6.5
95.04970	0.9
98.20740	0.7
105.07028	1.8
117.07008	0.4
119.08593	1.1
132.09340	0.7
133.10150	0.6
147.11674	6.5
152.06233	0.8
153.06961	2.9
171.08014	0.8
175.72038	0.3
215.02654	0.4
228.09322	0.8
229.10185	1.2
233.03566	4.9
251.04659	15.9
307.10968	1.4
327.07755	100.0
328.08078	1.6
363.17200	0.6
383.14008	70.5
384.14359	3.5
424.16928	0.6
439.20276	79.9
440.20764	3.6
480.22519	0.4
495.26523	60.7
496.26862	2.7
551.32794	76.5
552.33160	3.8
607.39001	71.8
608.39276	4.4
663.45270	20.3
664.45441	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	664.3524
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02363	1.3
53.03931	3.5
55.01863	4.1
55.05505	12.4
57.03173	1.8
57.03428	19.8
61.02906	5.2
64.00778	1.0
65.03933	1.5
67.05493	32.9
69.03427	5.2
69.07058	8.3
69.28014	5.6
69.28438	7.9
70.06578	18.5
71.04970	5.4
72.08160	1.9
73.02900	2.1
74.06073	1.2
79.05047	1.8
79.05480	23.5
81.03404	100.0
81.06573	1.4
81.07044	21.7
82.03703	1.0
83.04961	16.3
83.08603	15.8
84.08134	5.7
85.02892	35.7
85.06516	1.6
86.09701	7.1
91.03938	2.2
91.05466	84.9
93.07024	34.3
95.04958	23.4
95.08600	23.1
97.02885	8.9
97.06511	2.4
97.10132	3.5
99.04414	1.4
103.03913	1.3
105.07014	23.2
107.04939	7.5
107.08590	6.3
109.02853	1.5
109.06503	4.9
109.10136	15.8
111.04455	1.7
111.08064	8.6
113.05984	1.3
115.05394	1.2
116.98485	1.0
117.07005	6.1
119.08560	91.8
120.08122	2.0
120.08936	2.2
121.06477	7.2
121.10134	12.6
123.08057	4.4
123.11696	2.3
125.09654	2.4
127.03815	1.3
129.06982	8.9
129.10233	4.0
131.08537	9.5
133.06548	2.5
133.10101	9.2
135.08025	2.5
135.11658	1.2
136.06175	3.3
137.09590	40.4
142.07719	1.4
143.08397	1.0
145.04970	1.4
145.10115	2.1
147.08009	14.2
147.11655	14.3
149.09625	7.2
153.04483	1.2
157.10095	12.0
157.31935	1.1
157.33214	1.0
159.11746	1.0
163.11180	1.1
165.09093	35.6
165.12711	2.9
175.11153	14.3
183.10147	15.0
193.12215	37.1
211.13261	59.4
212.13551	1.7
239.12729	32.7
257.13806	67.8
258.14282	1.1
267.15881	27.1
285.16916	64.2
286.17007	1.2
317.14822	1.7
339.19400	5.2
357.20529	6.4
405.23102	2.3
413.23438	2.0
431.24222	34.5
432.93033	1.1
449.25327	43.8
467.26346	90.3
468.26624	3.6
524.20215	1.3
578.25281	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.3701
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.7
55.01870	0.4
55.05497	1.7
57.03422	2.2
57.07079	0.4
61.02916	6.0
67.05490	8.0
68.05857	0.4
69.03077	0.4
69.03421	3.6
69.07058	1.1
69.50834	2.8
71.01323	0.3
71.04960	0.7
73.02909	3.8
79.05478	5.1
81.03402	2.6
81.07040	4.4
83.04985	0.8
83.08599	1.0
84.04485	0.5
85.02894	5.1
87.04478	0.4
88.66538	0.3
91.03941	3.4
91.05464	2.9
93.07022	5.5
95.04961	0.8
95.08593	3.3
97.02871	4.4
97.06503	0.4
99.04440	0.7
101.02340	2.1
102.05640	0.4
103.03916	0.4
105.07018	1.7
107.08599	2.1
109.02862	1.0
109.06525	0.6
109.10136	5.1
109.10817	0.4
111.04420	0.4
111.08093	0.5
113.96329	0.3
115.03967	0.4
117.07031	0.9
119.08551	1.5
121.06508	0.3
121.10120	3.7
123.04446	0.4
123.11696	0.3
125.09628	0.3
127.03869	1.9
129.05484	0.5
131.08553	1.2
133.10106	1.2
135.08028	0.4
135.11668	0.8
137.09557	0.5
143.08598	0.5
145.10104	1.1
147.11658	0.7
149.09593	0.5
155.10684	0.4
157.10043	0.5
159.11673	0.7
173.11731	1.0
173.13142	0.6
175.11058	0.3
185.04231	0.5
185.13287	0.3
195.09943	1.0
203.05299	0.4
229.14279	0.7
243.08372	1.5
307.22610	0.9
312.79700	0.3
337.27393	0.8
413.17731	4.7
414.18475	0.4
491.26093	8.2
501.35870	0.4
663.37000	100.0
664.37329	6.6
664.71167	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.371
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.0
55.01869	0.4
55.05493	1.7
57.03431	2.2
57.07069	4.8
58.07414	0.6
61.02921	4.6
67.05495	4.4
69.03424	3.4
69.07053	1.6
70.80692	1.1
71.01353	0.5
71.04971	0.8
73.02911	4.0
75.94259	0.4
79.05483	4.3
81.03401	2.2
81.07047	17.2
83.04966	0.7
83.08607	1.0
85.02892	5.8
87.04458	36.8
88.04777	4.1
89.06020	1.2
91.03947	4.0
91.05470	2.8
93.07032	4.4
95.04951	0.7
95.08597	3.7
97.02882	4.6
99.04438	1.8
99.08079	0.7
101.02349	2.0
103.03905	0.5
105.07007	2.0
107.08579	2.5
109.02859	1.2
109.06521	0.6
109.10149	1.6
115.03925	0.6
117.06985	0.9
119.08586	1.5
121.06493	1.7
121.10162	1.8
123.08006	0.4
123.11699	0.6
125.21758	0.4
127.03867	2.4
127.07549	1.2
129.05383	0.4
131.07027	0.9
131.08557	0.8
133.08601	0.9
133.10129	1.3
135.11627	1.8
145.04956	0.7
145.08600	1.5
145.10143	0.6
147.08017	1.1
147.11636	0.7
149.13228	0.8
159.11728	0.8
161.13283	0.4
163.11188	0.7
165.09062	0.6
167.06842	0.7
177.11165	0.4
185.04225	1.0
201.11200	2.0
201.46548	0.4
211.13350	0.4
219.12265	0.8
221.15491	0.4
233.19040	0.7
243.08392	2.0
269.17319	0.6
277.21600	0.6
278.22003	1.0
303.06808	0.8
322.24585	0.5
328.59094	0.5
335.25879	0.6
385.14655	9.8
501.36017	0.7
512.33020	0.4
519.29144	5.2
582.65588	0.4
632.82086	0.5
663.36871	100.0
664.37396	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	662.4976
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	6.4
55.05497	10.5
57.03419	14.7
57.07060	15.4
61.96219	4.6
64.07048	5.2
67.05493	48.4
69.07049	8.8
69.30974	21.8
69.31401	34.2
73.47174	6.1
78.09550	4.1
79.05470	27.9
81.07047	39.1
83.08632	4.7
85.06516	6.3
87.04447	100.0
87.46546	4.4
91.05471	26.1
91.05946	4.9
93.07021	35.3
95.08599	25.3
97.06530	5.1
98.20757	9.5
105.07008	20.4
107.08587	22.5
109.06503	5.1
109.10136	13.4
110.88145	5.8
117.07005	20.3
119.08561	18.3
121.06470	7.1
121.10078	18.7
123.11724	6.3
129.06990	14.1
131.08566	17.5
133.10085	18.5
135.08072	10.6
135.11652	7.7
141.07007	7.5
143.08531	5.7
145.10106	35.2
147.11653	13.6
149.09541	11.2
149.13179	5.0
157.10074	17.3
159.11754	11.5
163.11192	10.5
163.41580	5.3
171.11688	12.8
173.13194	11.7
175.11168	19.3
187.14871	10.3
187.69014	4.8
194.00490	5.2
201.16386	14.2
211.14828	14.8
213.16393	6.1
221.49005	5.5
229.15811	51.5
233.18953	6.8
247.16899	20.3
257.96524	5.1
275.19714	7.0
276.02615	4.9
307.22641	11.2
321.20636	16.0
327.07642	7.1
335.25812	58.6
348.71472	5.1
383.14041	6.4
439.19946	6.0
495.26630	8.1
581.41730	10.8
607.38861	9.5
619.10175	5.2
662.45068	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	662.4979
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.7
55.01853	6.7
55.05252	3.0
55.05503	37.3
57.03432	27.2
57.07070	16.5
62.06086	2.5
65.03917	3.6
67.05492	100.0
69.07053	36.6
69.28870	6.1
69.29284	20.6
71.04961	6.6
79.05480	74.8
80.05830	2.6
81.07044	96.9
83.04964	9.9
83.08617	16.4
85.06536	8.1
87.04456	36.7
88.09230	2.4
91.05466	64.8
93.07028	84.7
95.04944	12.8
95.08589	69.1
97.06519	8.2
97.10153	9.7
99.08074	4.3
105.04492	2.2
105.07011	69.3
107.04904	2.6
107.08577	52.9
109.06474	4.9
109.10131	29.9
111.08082	4.6
115.05446	3.5
117.07001	26.8
119.07782	3.6
119.08561	44.1
121.06498	5.0
121.10123	31.0
123.08069	5.0
123.11686	6.0
125.09585	7.8
126.19016	2.2
128.09714	2.3
129.06987	13.9
131.08539	31.2
131.60759	2.2
132.08902	3.2
133.10121	34.1
135.08038	4.4
135.11685	19.1
141.06929	3.7
143.08557	16.2
145.10081	32.8
147.08040	3.9
147.11633	24.3
149.09613	7.0
149.13197	9.5
151.11206	2.6
155.08525	6.9
157.10106	9.5
159.11665	29.5
161.13205	11.3
163.11143	5.2
163.14821	4.0
165.57509	2.2
169.10106	3.9
171.11653	7.3
173.13220	14.9
173.82741	2.3
175.14761	7.2
179.14392	3.7
183.11670	6.7
185.13211	21.7
187.14799	6.1
189.11198	3.6
189.12761	2.7
197.00372	4.3
199.14844	4.3
201.16365	3.0
203.14313	6.1
205.15910	2.7
213.16321	3.6
219.17433	9.5
227.12779	16.7
229.19589	2.9
237.25801	2.7
239.17938	9.6
243.21078	2.8
257.18973	29.2
259.20541	5.6
261.22165	7.3
267.15924	5.5
269.17538	2.6
275.20016	40.2
277.21515	4.1
293.21271	3.0
317.24609	2.4
327.07721	7.5
331.22617	5.9
333.24304	4.7
335.25745	96.1
336.25803	3.9
349.23700	43.5
350.23746	3.7
383.14102	7.3
385.16013	3.6
439.20203	6.1
489.08401	2.6
489.35721	5.8
495.26254	3.2
551.32574	7.5
607.38934	8.1
609.35962	4.2
609.45087	44.1
610.45233	4.0
627.46539	4.4
662.34668	3.1
662.44836	10.3
663.45587	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	662.2955
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07056	5.5
70.97630	6.4
80.45694	2.4
87.04458	36.9
127.92282	2.5
129.71152	2.6
198.22821	2.5
219.17467	2.4
269.08823	2.3
277.21634	2.7
300.83560	2.2
328.99292	2.5
382.17908	2.3
386.01648	2.5
419.18433	2.6
431.18170	4.1
433.24063	6.4
444.19235	3.4
445.19672	4.7
446.17188	7.5
447.17462	4.3
459.21713	62.6
460.22504	18.4
461.23148	8.9
473.23257	2.7
475.21176	25.0
476.22198	2.9
477.22513	3.9
487.24857	5.1
504.24405	3.2
519.23749	12.7
531.23828	5.0
533.21277	4.6
535.23102	8.0
545.24890	5.7
546.25409	2.6
547.27161	51.2
561.21216	3.9
563.26300	9.3
591.25391	4.5
593.23425	9.2
602.18976	5.8
605.27142	6.3
606.28259	100.0
607.28961	17.8
622.27734	66.8
623.27850	9.8
662.29510	16.1
662.44287	5.3
663.30640	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	662.3887
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.3
54.78622	0.3
55.01854	0.6
57.03431	0.3
61.02908	0.7
62.87645	0.2
65.67537	0.3
67.05505	0.4
68.05009	0.3
69.03397	1.4
70.06580	61.2
70.83998	0.2
71.05008	0.3
71.06918	0.6
71.62121	0.5
72.08150	0.8
79.05491	0.6
81.03403	6.1
81.07048	0.5
83.08611	1.1
84.03946	0.2
84.04496	0.6
84.08138	2.3
85.02897	2.7
86.09680	1.7
87.00800	0.7
88.41171	0.3
88.51337	0.2
88.61070	0.3
91.03949	0.5
91.05463	1.2
93.07027	0.5
95.04964	1.7
97.02884	1.3
100.07599	0.3
101.07160	0.4
105.07018	0.7
107.04935	5.8
109.02859	0.8
109.06498	0.3
110.07153	1.1
111.08087	0.7
115.03869	0.4
115.05422	0.3
117.07011	0.8
119.08553	0.5
120.08123	0.3
121.10082	0.6
126.09115	1.2
127.03868	1.3
129.07008	0.7
129.10236	0.9
131.04910	0.9
131.08531	0.6
133.06442	0.3
133.10089	0.4
136.11195	1.2
145.05029	0.4
145.06461	1.4
147.04501	0.4
147.07959	0.5
147.11655	0.6
149.09605	0.4
150.12767	0.8
157.06506	0.5
157.10103	0.9
159.08003	0.9
160.08359	0.5
161.06007	0.7
163.05948	0.6
163.07286	0.3
173.05916	0.8
174.06302	0.4
175.07471	0.5
175.11249	0.7
176.07912	0.3
177.09058	0.3
187.07530	1.0
188.07797	0.7
190.06157	0.9
191.06622	0.6
193.12219	3.4
205.08565	5.3
206.08928	4.1
215.07040	0.4
216.07367	0.6
218.05635	0.3
219.06384	0.4
227.16466	0.3
233.08049	12.7
234.08376	9.5
235.08632	0.7
244.16977	0.6
251.09105	20.9
252.09444	17.9
253.09778	1.1
256.16934	4.8
257.62201	0.3
267.15784	1.7
274.17966	100.0
275.18283	2.9
285.16919	7.4
286.17450	0.3
309.16779	0.7
315.13055	0.4
351.17960	0.3
363.17981	0.5
392.47794	0.3
411.20166	0.3
429.21097	0.5
434.58685	0.3
500.14523	0.6
664.08221	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	662.3884
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	0.4
55.05503	0.4
56.05015	0.4
57.03432	0.7
61.02908	0.8
61.42411	0.3
62.34833	0.3
67.05493	0.5
68.05024	0.4
69.03406	0.9
69.07045	0.4
70.06579	60.2
71.06925	0.6
71.57333	0.3
72.08132	1.1
74.06042	0.3
74.84812	0.3
79.05481	0.8
81.03396	6.3
81.07040	0.8
82.03757	0.3
83.04954	0.4
83.08607	1.3
84.04496	0.5
84.08134	2.8
85.02888	3.1
86.06023	0.3
86.09695	1.2
87.00803	0.5
91.03947	0.6
91.05468	1.3
93.06997	0.5
95.04947	2.0
95.08569	0.4
95.14217	0.3
97.02873	1.3
97.06511	0.3
99.04465	0.4
100.07636	0.3
105.07019	0.9
107.04935	6.2
107.08589	0.4
108.05305	0.3
109.02859	0.9
109.06550	0.4
110.07117	0.4
111.04436	0.5
111.08055	0.6
117.06995	0.5
119.08514	0.7
120.08073	0.5
121.06487	0.3
123.04453	0.4
123.08039	0.3
126.09165	1.7
127.03913	1.1
129.07010	0.9
129.10184	0.5
131.04903	0.7
131.08513	0.8
133.06517	0.6
136.07533	0.4
136.11205	1.2
137.05984	0.3
145.04926	0.7
145.06483	1.7
145.07487	0.3
146.06897	0.4
147.04431	0.4
147.08040	0.6
149.09663	0.4
149.12006	0.3
149.13222	0.3
150.12764	1.0
157.10060	0.9
159.08026	0.8
160.08412	0.4
161.05931	0.6
163.06020	0.7
163.07396	0.5
173.06026	0.7
175.07530	0.7
175.11168	0.9
177.09082	0.6
185.06090	0.4
187.07510	0.8
188.07863	0.8
190.06300	0.8
191.06694	0.6
191.14427	0.3
193.12209	6.3
197.11093	0.3
201.05499	0.4
202.05945	0.4
205.08557	5.9
206.08932	4.1
211.13292	0.3
215.06981	0.9
216.07402	0.6
216.12737	0.3
219.06270	0.4
233.08051	13.3
234.08385	11.1
234.10831	0.3
244.16907	0.6
251.09099	22.6
252.09427	17.6
253.09988	1.1
256.16953	4.7
267.15854	2.9
274.17963	100.0
275.18311	3.8
285.16946	7.0
309.16934	1.2
363.18130	0.4
375.51038	0.3
451.85971	0.4
459.44888	0.3
464.35599	0.3
500.14670	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.2255
Annotation	Sorocein B
Peak:m/z	Relative Intensity
52.82330	1.7
55.05502	2.5
57.07071	3.3
57.75403	1.9
67.05472	4.7
69.07068	2.6
81.07052	3.9
85.10203	2.2
89.06031	8.3
93.07015	2.1
98.24229	1.9
98.98438	2.8
109.10189	3.3
110.77553	2.3
133.08618	6.2
242.05696	2.1
244.67906	2.0
349.13779	2.1
381.69891	2.3
459.28168	2.9
505.39203	2.4
659.22589	100.0
660.22821	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	660.3001
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	0.4
55.05489	0.7
56.05019	0.3
57.03420	0.4
67.05487	0.4
69.03403	0.7
69.91949	0.4
69.92360	0.7
70.06574	3.4
71.04972	0.9
79.05486	0.4
80.05029	0.3
81.03397	0.5
81.07015	0.4
82.06557	4.0
84.08126	70.2
85.02876	0.9
85.08443	0.7
86.09662	0.5
86.12090	0.2
86.45293	0.3
91.05454	0.7
92.88234	0.2
93.07006	0.3
95.04951	0.2
97.02880	0.6
98.09680	1.9
98.20765	0.2
99.04453	0.3
100.07588	3.4
107.04932	28.0
108.05286	0.4
109.02878	0.5
121.06466	1.3
126.09127	100.0
127.03890	0.9
127.09503	1.1
128.10678	0.2
129.10243	0.3
131.08473	0.4
144.10167	21.3
145.04967	0.3
145.06493	0.3
149.05962	0.9
163.11142	0.2
176.60400	0.3
191.07027	0.9
209.19655	0.2
216.13821	0.3
229.14368	0.4
237.02577	0.2
246.14848	2.9
290.17374	0.2
408.20215	0.3
422.18405	0.2
452.22961	0.7
470.23651	0.4
598.26349	41.8
599.26746	2.1
642.28979	23.3
642.40491	0.3
643.29242	0.9
660.29956	8.4
661.30322	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.2497
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72406	0.4
60.82635	0.4
67.05510	0.4
67.98119	0.5
70.06565	0.8
71.36533	0.8
79.05483	0.9
81.03426	0.4
81.07031	0.5
84.08161	0.7
86.09706	0.4
91.03918	0.5
91.05468	0.6
111.83170	0.4
114.34499	0.4
121.06517	0.5
122.36493	0.4
145.10165	0.5
213.05486	0.4
249.07835	0.4
264.57477	0.4
278.91483	0.4
374.14975	1.0
387.14645	1.2
388.16779	0.8
389.16394	0.9
392.15985	1.7
401.16116	4.1
402.16855	0.8
403.17725	1.0
404.18661	2.0
406.16440	0.5
408.18732	0.5
414.12848	0.5
415.13138	0.8
415.18109	4.9
416.14316	4.6
417.19376	1.2
418.16766	0.8
419.16949	2.1
428.14716	0.8
429.15558	8.2
430.16333	4.1
431.17197	27.7
432.17908	2.5
433.18683	1.1
440.18613	0.5
442.12860	1.6
443.12964	4.2
443.17331	6.5
444.18555	8.4
445.14728	1.3
445.18930	1.6
445.24249	0.4
447.16510	1.2
453.15585	1.7
454.16388	1.5
455.17285	0.8
456.14069	1.5
457.14899	28.2
458.15182	3.9
459.16855	0.7
460.18286	0.5
461.18185	1.2
462.18903	0.9
468.17886	1.6
469.18652	1.5
471.16742	9.2
472.17352	19.9
473.19049	1.9
474.15671	1.5
475.20392	3.7
476.20331	0.7
481.15787	0.8
482.15399	2.9
483.16388	0.9
485.14499	0.9
488.17004	2.1
489.17557	3.1
490.17627	0.7
496.17014	2.4
497.18027	11.1
498.18329	1.8
499.15027	2.6
500.16763	1.7
502.18912	0.5
503.19427	3.2
504.19577	2.0
513.19250	1.0
514.18542	1.3
515.19385	1.3
517.21204	3.3
524.16821	3.2
528.20050	1.5
529.21112	1.0
530.21265	0.8
531.20038	2.7
532.18738	0.5
537.17999	0.5
541.18103	0.5
543.19141	0.5
555.18835	0.5
556.19531	8.1
557.20013	1.3
558.21112	4.4
559.21661	2.2
560.22614	2.3
562.20490	1.1
569.20593	1.9
575.21204	0.6
576.22131	0.7
586.20459	0.7
587.20862	2.1
590.23608	5.8
591.24121	0.7
597.19678	3.5
598.20453	0.6
618.23083	33.2
619.23859	26.7
620.23975	1.8
629.22345	24.7
630.22766	1.8
661.24933	100.0
662.25311	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	658.4145
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.4
53.05870	0.4
55.01859	0.6
55.05499	5.6
57.03426	8.2
57.07062	1.3
60.57526	0.3
61.02921	2.8
64.41844	0.4
65.03935	0.5
67.05492	17.7
69.03414	0.6
69.07055	4.5
69.53261	0.7
69.53677	2.0
71.04959	0.5
71.08614	0.6
73.02890	0.8
79.05477	17.3
80.05787	0.3
81.07040	100.0
82.07384	0.8
83.04961	1.1
83.08610	1.8
85.02882	2.6
85.06531	0.5
91.03948	1.3
91.05454	5.4
93.00387	0.3
93.07024	11.7
95.04961	1.3
95.08588	14.5
97.02904	1.6
97.03493	0.3
97.06535	0.9
97.10151	0.9
97.44965	0.3
99.08077	5.5
103.03940	0.9
105.07006	3.6
106.80641	0.3
107.08576	7.3
109.06487	1.3
109.10146	6.4
111.08080	0.3
117.07005	1.5
119.08570	3.1
121.10108	6.0
123.08002	0.4
123.11689	2.8
125.09547	0.4
127.03924	0.5
127.07528	8.8
131.08548	3.4
133.10095	3.1
135.11662	4.6
137.13229	0.8
143.07010	0.8
143.08594	0.4
145.08574	6.5
145.10089	3.0
147.11661	2.6
149.13211	2.8
151.65166	0.3
157.10129	0.5
159.11682	2.0
161.13240	1.6
163.14804	2.2
173.13263	2.1
175.14786	0.7
177.16351	0.9
184.68863	0.3
185.13196	0.5
187.14816	1.2
199.09573	3.1
201.11179	61.0
202.11531	1.3
233.22690	0.7
243.21042	3.2
244.10936	0.3
259.20367	0.3
261.22092	13.3
311.44302	0.3
317.24658	1.7
335.25726	48.6
336.26120	1.6
351.26437	0.9
369.28040	1.9
387.28833	0.6
443.31400	1.2
461.32541	19.6
462.32971	0.7
479.33636	3.7
486.31961	0.4
645.47827	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	656.2541
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.4
57.03414	1.6
61.02910	2.3
67.05476	1.8
69.03422	7.7
69.47440	5.6
69.60775	0.7
70.06557	2.0
72.08129	1.2
72.97975	0.7
73.02905	1.8
79.05457	1.7
80.84020	0.8
81.03391	2.0
83.04965	0.6
84.04538	0.7
84.08120	1.2
85.02895	10.9
86.09709	0.7
87.04465	2.3
91.03940	0.6
94.06538	1.5
95.04942	1.2
97.02873	5.5
98.20718	0.8
99.04432	0.7
101.02373	0.6
103.05457	2.0
107.04941	45.6
109.02886	1.4
116.07040	0.9
120.08080	2.4
121.06483	1.9
122.06030	4.7
123.06795	2.5
127.03935	3.4
129.10196	0.9
130.06503	1.9
131.07265	0.8
133.05220	6.8
136.07558	1.6
137.08348	4.6
138.05487	2.0
138.09134	1.0
145.04976	1.0
147.06779	2.9
148.07553	86.6
149.06004	1.6
150.05478	37.1
150.09131	2.2
152.07018	0.7
160.07494	0.7
162.09138	2.1
163.03920	1.8
166.08615	56.6
168.06544	43.5
176.07124	1.2
190.08607	20.5
200.45222	0.7
208.09669	1.1
217.76021	0.7
260.10803	0.7
278.11755	1.5
280.82510	0.6
292.19125	1.3
296.12787	15.0
296.15915	1.1
312.65567	0.7
314.13815	23.1
328.13846	23.0
328.17773	1.2
330.11765	19.1
332.15039	1.5
352.13675	0.7
456.58618	0.7
458.18048	2.0
476.19138	18.6
494.20142	13.7
525.56689	0.6
552.73114	0.6
620.24036	1.1
638.24341	17.2
638.34827	1.0
639.25482	0.7
651.44202	0.8
656.25372	100.0
657.25854	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	658.4151
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.5
55.01867	0.9
55.05501	11.8
57.03146	1.0
57.03426	16.4
57.07057	3.2
57.31173	0.5
59.04986	4.0
61.02914	6.5
65.03930	1.8
67.05497	97.2
68.70337	0.6
69.03425	2.1
69.07059	7.4
70.80975	1.8
71.04991	4.1
73.02894	1.2
77.03938	0.6
79.05480	29.8
81.07046	38.7
83.04967	0.9
83.08620	8.3
85.02887	7.1
85.06525	3.9
86.03262	0.6
91.03937	3.1
91.05470	13.0
93.07030	33.5
95.04948	2.8
95.08591	23.0
97.02904	3.5
97.06477	0.8
97.10152	1.3
99.08089	2.4
102.82466	0.5
105.07008	8.4
107.08584	14.3
109.06469	1.3
109.10143	81.7
110.10478	1.2
111.08063	3.6
113.09668	0.7
113.43290	0.7
115.03957	0.6
117.07005	3.1
119.08572	11.3
121.10129	21.0
123.08111	1.0
123.11677	4.4
125.09618	2.3
127.03900	0.8
129.06976	0.9
131.08551	7.3
133.10115	8.1
135.11674	16.4
137.09596	4.2
137.13234	1.2
145.10071	5.4
147.11690	4.4
149.09657	1.1
149.13251	7.0
151.11133	0.7
151.48535	0.7
155.10605	4.6
159.11697	5.4
161.13260	1.6
163.11122	0.8
173.11728	19.8
173.13261	5.0
174.12138	0.6
175.14832	1.1
187.14815	1.4
195.82799	0.6
201.11206	1.5
205.19499	2.1
215.17932	17.9
216.18286	0.7
227.12740	3.7
229.14325	100.0
230.14665	2.0
233.18965	23.8
234.19217	0.8
235.20744	0.9
261.22153	0.8
289.21490	1.1
307.22635	83.5
308.22992	2.9
335.25723	1.3
369.27802	1.4
402.65985	0.7
405.29691	1.0
440.29950	0.7
443.31396	1.7
461.32568	65.9
462.32840	4.0
479.33530	4.2
676.90741	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.389
Annotation	Unknow
Peak:m/z	Relative Intensity
54.22760	0.5
55.05500	4.7
57.03436	3.6
57.07069	36.6
57.07331	1.2
61.02917	14.1
67.05497	9.4
69.03406	1.2
69.06719	0.6
69.07058	7.7
70.49962	1.6
71.08624	32.6
73.02564	0.5
73.02907	5.7
75.04439	2.2
79.05469	0.9
81.03392	1.1
81.07047	14.0
83.08610	11.5
85.02890	13.5
85.10172	17.2
89.05985	0.9
91.03415	1.1
91.03943	16.1
93.07023	0.8
95.08598	22.3
96.08880	0.5
96.58432	0.5
97.02881	7.6
97.10160	6.2
99.04398	0.8
99.11702	1.0
103.07563	0.8
105.06996	0.6
109.09438	0.8
109.10139	11.0
111.11661	1.2
115.03918	0.7
123.11691	4.7
125.13257	1.3
127.03903	5.6
137.13248	2.7
145.04941	6.1
151.14734	0.9
163.05994	11.8
165.16342	0.6
204.08572	0.5
221.22583	1.5
239.23662	26.9
242.02968	0.5
257.24747	3.7
298.27219	0.7
313.27328	100.0
314.27625	1.9
331.28384	21.0
332.28775	0.5
391.19162	1.0
405.16925	1.5
406.21820	0.7
407.22366	1.9
419.18539	2.0
420.19223	1.0
433.20563	4.5
434.21164	2.5
435.21634	3.6
447.17484	0.8
449.19601	0.6
462.20013	1.2
463.21121	1.2
465.18930	1.0
521.25842	2.8
522.25989	0.7
549.24927	5.9
550.24969	0.7
565.24567	0.8
577.24139	3.8
581.27173	0.7
595.25354	1.5
609.26593	0.7
637.26422	3.8
655.27496	42.3
656.27570	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	655.3961
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05482	2.1
67.05486	5.9
69.07043	5.6
70.33323	1.9
71.58160	2.3
81.07037	2.5
83.08611	2.9
95.08558	1.8
97.10146	2.2
109.10105	3.0
116.50404	1.6
119.08592	2.0
466.35965	8.7
588.67474	1.8
590.57562	2.3
611.28577	4.0
637.28412	2.0
643.07538	1.8
655.29877	3.6
655.39557	100.0
656.39948	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	655.3888
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	4.2
57.03429	3.5
57.07065	36.5
61.02913	9.1
67.05164	0.6
67.05494	9.1
69.03410	0.8
69.06705	0.6
69.07050	6.9
69.09760	0.3
69.51478	3.5
71.08618	30.0
72.42564	0.3
73.02905	2.7
75.04456	1.7
75.88300	0.3
79.05498	0.6
81.03367	0.5
81.07041	13.7
83.08607	10.8
84.05186	0.3
85.02891	9.2
85.10166	17.6
89.06004	1.0
91.03393	0.6
91.03937	8.8
95.08589	21.4
97.02872	4.8
97.10162	4.7
99.11695	1.2
103.03871	0.3
103.07548	0.7
107.17516	0.4
107.28329	0.3
109.02863	0.6
109.10134	10.9
111.11687	1.5
113.13242	0.5
115.03880	0.7
117.09109	0.4
123.11682	4.0
125.13254	0.7
127.03924	3.2
137.13235	1.9
145.04926	3.7
151.14735	1.0
163.05983	6.2
165.16368	0.7
173.71225	0.4
221.22659	0.9
239.23657	25.3
240.23895	0.4
257.24680	4.0
298.27356	0.8
313.27304	100.0
314.27625	3.0
331.28372	21.6
332.28769	0.6
391.43240	0.4
407.05020	0.4
472.78040	0.5
475.32724	3.2
545.03644	0.4
567.53485	0.4
623.28430	0.5
650.44885	0.4
655.43848	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.3118
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05523	0.2
68.15479	0.2
70.14877	0.8
105.07048	0.2
135.08002	0.2
159.47549	0.1
210.53032	0.2
377.17642	0.5
390.18411	0.3
391.19308	1.1
392.20038	0.5
393.20813	0.4
404.20203	0.3
405.16357	1.4
405.20993	0.5
406.17160	0.4
406.21661	0.7
407.17694	0.3
407.22391	4.1
408.22897	0.5
418.17480	0.4
419.18091	2.1
419.22833	0.6
420.18842	1.4
421.19830	1.2
432.19077	0.4
433.15530	0.3
433.20602	4.8
434.21069	4.5
435.21786	7.9
436.22626	1.1
446.21417	0.4
447.17728	1.2
447.22110	1.7
448.18695	0.9
448.23035	0.7
449.19019	1.6
451.21121	0.3
460.22968	0.4
461.19632	1.6
461.24323	0.7
462.20294	5.1
463.21136	4.2
464.21921	0.3
465.22958	0.3
475.21375	1.5
476.22153	1.3
477.23041	1.4
478.23770	0.4
479.19962	1.0
481.26221	0.3
489.22897	1.3
490.24026	0.4
493.21207	0.8
493.25885	0.7
494.23343	0.5
495.23730	1.2
505.22208	0.5
506.22995	0.4
507.20499	0.7
507.25092	1.1
508.24704	1.6
509.25610	1.8
517.22339	0.3
520.24518	0.2
521.25629	11.3
522.25696	0.5
525.25159	0.2
534.22668	0.3
535.26794	0.7
540.26941	0.4
547.27179	0.4
549.24908	16.2
550.25262	0.8
553.24164	1.1
563.26648	3.5
564.27484	1.0
565.28271	0.2
567.27283	0.4
577.24359	0.8
580.25623	0.5
581.27588	3.5
582.28229	0.2
595.29163	10.5
596.29541	0.6
607.29462	0.6
609.27008	11.7
610.27252	0.4
623.28394	1.3
624.29218	0.2
627.31610	0.3
655.31158	100.0
656.31580	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	655.3145
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.6
55.05506	18.7
57.06815	1.9
57.07067	25.0
59.23629	1.3
59.61702	1.4
65.03930	1.5
67.05503	3.2
67.91234	1.4
68.57854	1.2
69.07034	1.2
69.45462	9.1
69.45882	2.8
71.04986	4.4
71.08020	1.3
71.39334	1.2
74.91902	1.2
81.07043	3.3
83.04971	98.4
84.18292	1.2
91.05470	6.5
95.04957	2.8
95.08655	1.2
98.98459	4.9
105.07030	2.3
115.05428	2.3
119.08515	1.3
128.06189	8.2
129.06993	15.1
129.07922	2.0
133.10184	1.5
141.06958	3.4
145.06497	2.5
147.08044	12.0
147.11655	14.3
151.01555	3.1
151.84006	1.4
157.07600	2.5
159.08066	1.8
169.07649	1.3
175.01543	43.0
181.02580	71.5
187.01566	2.7
199.03644	3.8
216.04234	1.9
222.05334	2.1
227.04648	29.7
227.06757	1.8
231.07895	3.2
239.04709	3.5
257.05670	10.7
283.10944	8.4
313.11954	57.2
331.13330	2.0
369.18246	18.2
431.06113	1.7
448.18542	1.4
459.22012	1.6
487.12405	6.6
543.19067	42.7
573.58716	1.5
595.28967	2.9
599.25244	100.0
600.25763	2.3
623.27673	2.4
655.31445	67.2
655.41571	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	652.477
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	4.3
55.01875	6.0
55.05498	21.0
57.03426	28.3
57.07066	3.3
67.05490	73.6
69.03408	4.4
69.07056	32.3
70.63980	6.0
70.64352	2.6
71.04980	4.2
79.05479	63.9
80.99139	2.6
81.03406	6.3
81.07045	100.0
82.07363	2.5
83.04961	5.7
83.08605	17.2
85.06502	4.7
86.09698	2.5
91.05461	41.0
93.07029	76.3
95.04964	12.9
95.08040	4.4
95.08596	58.1
97.06497	12.2
97.10146	6.1
99.08070	4.9
105.07014	33.8
107.04910	6.4
107.08576	36.4
109.06498	10.5
109.10123	22.0
111.08054	4.3
115.48743	2.6
117.07013	13.7
119.08547	25.5
120.08708	2.5
121.10113	34.8
123.08044	5.5
123.11697	3.7
125.09628	2.7
126.81796	3.0
129.06981	6.8
131.08562	18.7
133.10092	16.8
135.08052	10.0
135.11650	16.4
137.09589	7.0
139.11176	2.7
141.06960	3.4
143.06992	4.9
143.08510	5.6
144.38992	2.6
145.10104	20.0
147.11696	7.1
149.09616	12.8
149.13252	8.6
151.11195	3.0
157.10118	7.5
159.11662	8.8
161.09641	3.6
161.13254	7.2
163.11122	6.6
163.14761	2.7
165.09132	2.4
167.10655	5.3
169.09981	2.7
171.11722	4.3
173.13269	10.0
175.11136	5.3
177.12665	2.9
183.11591	3.3
185.13286	4.2
187.14832	2.9
189.12827	5.0
199.09636	7.2
199.97697	2.9
201.11234	18.8
201.16336	7.4
219.17467	3.0
229.15833	11.4
239.12733	8.5
241.14293	31.9
243.21046	4.3
247.16830	18.4
261.22043	13.2
265.17911	6.5
281.17386	7.9
321.20523	19.4
335.25726	92.2
336.26016	3.2
339.21555	16.9
461.32559	6.5
481.35532	2.9
501.35571	36.6
541.38892	25.7
553.90906	3.1
581.41888	21.8
599.43048	21.8
621.27100	4.0
643.82178	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	655.2751
Annotation	Karajinone A
Peak:m/z	Relative Intensity
55.05491	1.0
57.07055	1.4
64.88181	0.4
69.41701	2.6
69.42108	1.0
74.68876	0.4
79.05463	0.5
82.05803	0.4
83.04967	6.8
98.98462	0.5
105.06975	0.5
117.19366	0.4
122.09688	0.5
123.39454	0.4
123.98553	0.3
128.06245	0.5
129.06955	1.0
140.83257	0.4
147.07979	0.7
147.11697	0.8
157.15959	0.4
171.09172	1.0
173.10826	0.4
175.01549	2.5
181.02588	4.6
199.08669	0.6
209.10736	1.0
210.11377	0.6
221.10704	1.0
223.12231	2.1
224.13068	1.5
225.13890	1.9
227.04657	2.0
233.10699	0.5
235.12303	1.7
236.12930	2.1
237.13818	4.3
238.14613	3.6
239.15442	1.5
241.16904	0.4
247.12317	1.2
248.13171	0.5
249.13882	1.9
250.14583	0.8
251.11922	0.4
251.12811	0.4
251.15407	4.4
252.16217	1.5
253.16969	3.7
257.05704	0.5
261.13846	6.5
262.07544	0.4
262.14682	1.4
263.11603	0.7
264.12637	0.6
265.13232	0.6
266.14243	0.4
275.15311	0.7
279.14932	2.4
280.15649	0.9
283.10858	0.5
289.17026	0.5
300.14749	0.7
313.12018	3.0
314.12521	0.4
314.16473	0.5
322.13483	0.5
336.15005	0.4
340.17831	0.6
341.18555	0.5
349.15265	0.7
350.16119	0.5
351.16602	0.6
352.18057	0.8
353.17670	1.2
354.18839	0.5
363.16208	1.1
364.17953	1.0
365.17676	1.6
366.18777	1.5
367.19327	2.6
368.20837	0.7
369.17822	0.4
376.17465	0.8
377.17630	3.2
378.19522	0.6
379.19406	1.9
380.16031	1.0
380.20490	0.9
381.16925	1.2
381.20892	1.5
383.22342	0.6
391.19608	2.2
392.15973	0.6
392.20523	0.7
393.16727	0.8
393.20963	1.1
394.18210	0.9
395.18384	2.5
396.19644	0.6
400.20105	0.5
401.21149	0.5
402.21939	0.5
405.17242	1.7
405.21820	0.6
406.17740	0.9
407.18399	2.9
408.19815	0.5
409.20251	1.7
410.21347	1.0
411.21786	0.7
419.18762	1.1
420.19565	1.3
421.20609	2.0
422.21457	2.1
423.17825	0.8
425.20090	0.7
427.21304	0.7
433.16101	0.6
434.17636	0.5
435.18011	2.9
437.19904	1.8
438.20807	1.2
439.21481	1.6
440.22293	0.5
441.22971	0.7
442.24414	0.5
448.18561	2.1
449.19424	2.9
450.20752	2.3
451.21823	0.6
452.23386	0.6
453.22989	1.4
454.24188	0.7
455.20358	0.8
461.19775	0.7
462.20419	0.7
463.21439	0.8
464.22595	0.6
465.18726	5.7
466.20059	0.8
467.20920	0.9
469.26477	2.4
470.23907	0.6
475.20966	0.4
476.18198	2.5
477.18997	0.9
479.24924	2.9
480.21866	2.5
481.22339	1.4
482.23306	2.4
483.20383	1.8
492.22250	1.1
493.22879	0.8
497.25620	6.0
498.24686	0.6
507.24161	4.2
508.20706	2.9
509.21542	0.9
510.22720	2.3
511.23361	0.6
512.25421	0.9
513.25476	0.6
514.25854	5.1
520.21045	0.6
521.21564	0.9
525.25024	7.8
526.24896	0.5
527.23792	0.4
529.28143	5.6
535.23431	2.8
536.23645	0.6
538.22058	0.5
539.26794	1.1
542.25079	2.3
543.19037	2.0
552.23682	1.8
553.24274	3.6
557.27539	3.0
563.22986	2.8
567.26111	4.9
568.24738	0.8
569.27075	1.3
570.25018	1.4
581.23944	2.6
585.27069	15.9
586.27368	1.4
595.25421	90.3
596.25592	7.4
599.25128	5.3
613.26483	100.0
614.26685	8.0
627.27734	1.0
655.29669	7.8
655.41644	0.8
656.28735	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.3575
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.5
55.05500	18.1
57.03436	6.7
57.07066	10.8
61.02917	16.3
67.05491	61.3
69.03403	3.3
69.07056	23.6
70.19768	4.8
71.04971	3.1
71.08599	3.2
73.02912	7.7
75.04465	1.3
79.05047	2.0
79.05471	21.6
81.07040	75.4
83.04974	2.7
83.08595	15.3
83.21610	1.3
85.02888	18.9
85.06517	5.7
85.10146	4.3
91.03939	19.8
91.05467	20.6
92.05778	1.3
92.20142	1.2
93.07019	23.4
95.04953	3.2
95.08593	65.9
97.02861	9.7
97.06517	9.6
97.10149	7.5
98.20756	1.8
99.04399	2.3
99.08057	8.0
105.07018	16.0
107.08578	15.3
109.06487	2.9
109.10139	25.5
111.08060	4.0
111.11688	2.2
113.09624	8.6
119.08557	18.2
121.10110	21.0
121.70764	1.5
123.08027	2.5
123.11680	16.9
125.13203	1.5
127.03880	5.2
127.11157	6.1
129.05428	2.4
131.08522	1.9
133.06406	1.3
133.10094	23.5
135.11659	22.7
137.09572	2.2
137.13228	20.8
139.11121	3.7
145.04916	7.8
145.10088	2.1
147.11661	15.4
149.13251	6.8
151.07460	1.4
151.11122	2.2
151.14799	14.9
153.12648	1.9
157.10060	2.2
161.13255	13.2
163.05963	11.9
163.14745	1.9
167.10603	1.8
173.13077	1.5
175.14838	8.5
189.16307	4.9
189.28288	1.2
191.17810	2.3
217.19476	80.8
218.19731	1.5
231.70087	1.7
235.20523	100.0
236.20853	2.9
237.22089	2.2
253.21524	1.9
258.18176	1.3
309.24185	46.6
310.24536	2.0
312.09723	1.3
327.25363	6.5
471.29160	7.0
651.42242	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	652.274
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02362	0.3
52.26089	0.2
53.03928	0.3
55.01852	0.2
55.14544	0.2
56.05006	0.2
60.04486	0.3
61.07821	0.2
65.03928	0.2
67.05495	0.3
68.05017	1.0
68.74761	0.2
69.03413	0.6
69.07073	0.4
70.06580	100.0
71.04974	0.3
71.06924	0.6
71.62993	0.4
72.08133	0.5
79.05479	0.4
81.03415	0.5
82.06580	0.5
84.04502	0.7
84.08130	3.0
85.02887	1.6
86.09686	1.4
87.04488	0.3
88.03985	0.3
91.05482	0.4
94.04193	0.5
97.02870	0.5
99.04441	0.3
105.07058	0.3
107.04946	0.9
109.02868	0.5
110.07153	0.3
112.07631	0.3
119.04956	0.3
120.08086	1.0
121.06508	0.2
122.03638	1.5
123.04409	7.7
126.09125	0.2
127.03889	0.3
129.10240	0.6
131.04913	0.6
134.09654	0.4
136.07588	0.3
136.11203	0.4
137.05954	25.2
138.06310	0.3
140.07071	0.8
145.06482	0.5
148.07564	0.8
148.11237	0.5
149.05986	0.5
150.09125	0.8
151.07510	0.5
152.07098	0.3
153.07140	0.3
157.06436	0.3
160.11232	0.3
161.05994	0.3
165.09018	0.2
172.11227	0.5
175.07513	0.3
176.10672	0.3
177.05528	0.3
179.07022	0.5
181.06476	0.4
183.08110	0.3
185.11942	0.4
187.07550	0.6
188.10742	0.8
197.09804	0.2
198.12749	0.2
200.10645	2.5
201.09108	0.4
202.08403	0.2
203.09404	0.2
204.10185	0.4
210.06732	0.2
211.07661	0.2
212.10742	0.6
213.09026	0.4
214.12201	1.2
216.10229	0.8
218.11812	0.6
225.09183	0.3
227.30009	0.2
230.11703	0.6
232.13451	0.2
243.10025	0.2
253.12325	0.2
270.15057	0.4
281.11743	0.4
285.11676	0.4
287.13818	0.4
288.14453	0.3
290.58136	0.2
303.13312	0.2
306.14825	0.2
313.11829	0.4
314.12283	0.4
315.13388	0.5
340.15439	0.5
350.17358	1.6
354.16876	0.3
366.17004	0.4
375.15994	0.6
403.15460	0.3
455.20135	0.6
459.42050	0.2
472.21271	0.3
480.53116	0.3
490.22333	0.7
590.26373	0.2
620.24701	0.4
634.25513	1.5
651.51801	0.3
652.27380	57.8
653.27765	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	650.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	0.2
53.03937	0.3
53.54004	0.1
55.01855	0.7
56.05022	0.3
57.03433	0.4
57.07059	1.2
60.52352	0.2
61.02904	0.5
62.28404	0.1
65.03931	0.7
67.05508	0.3
69.03074	0.2
69.03423	2.9
69.07043	0.2
70.00443	1.0
70.06584	3.5
71.04971	0.5
71.06920	0.2
72.08141	0.7
73.02895	0.7
74.06042	0.3
79.82565	0.1
81.03404	2.4
81.07044	0.3
84.04481	0.3
84.08132	1.3
85.02895	9.4
86.09697	1.9
87.00813	3.6
91.05469	0.3
93.03346	0.3
93.07045	0.3
94.06609	0.1
95.04917	0.2
95.08585	0.2
97.02869	3.2
97.06503	0.2
99.04444	1.4
103.22960	0.2
105.01849	5.1
105.06978	0.2
107.04910	0.3
107.08555	0.1
109.02862	3.0
110.07146	0.2
115.08654	0.2
117.01836	0.3
119.08557	0.3
120.08080	0.4
121.02866	2.0
121.03761	0.3
121.10152	0.2
122.05989	0.2
123.04406	0.2
123.08081	0.2
127.03893	6.4
129.01776	0.4
129.10217	0.4
133.10126	0.2
136.07573	0.4
137.57707	0.2
144.91328	0.2
145.04947	2.3
145.06154	0.2
145.10002	0.2
147.02849	0.4
149.02319	100.0
150.02661	0.7
159.02863	1.3
167.03403	2.0
184.32657	0.2
190.04933	1.0
201.12352	0.2
205.08578	4.5
213.04002	0.6
223.09618	19.6
224.09816	0.2
227.11749	0.2
228.41827	0.2
231.04987	2.3
244.11526	0.2
249.05902	0.9
252.61139	0.2
253.06917	0.2
284.11041	0.2
302.12253	0.2
309.12332	0.4
310.12729	0.2
338.11993	0.2
369.14301	0.3
370.14786	0.4
372.20996	0.2
387.15552	0.3
388.15887	0.3
423.15561	0.2
428.14072	0.9
456.24533	0.2
466.19901	0.3
477.18478	0.3
485.48193	0.2
497.20926	0.3
508.20538	0.2
509.20813	0.3
510.21240	0.2
596.22351	0.2
632.22748	0.3
650.23700	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.4297
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57631	1.0
55.05502	9.0
57.07070	3.4
58.58271	1.0
62.33439	0.9
64.23257	1.1
65.03928	1.0
66.89938	1.1
67.05496	16.1
69.03413	10.4
69.07057	10.2
71.04978	4.1
71.08607	1.3
71.36977	2.1
79.05483	13.8
81.03390	3.8
81.07049	27.2
83.04977	6.6
83.08607	4.9
85.02876	2.2
85.06510	8.1
91.05473	9.9
93.07029	28.7
93.94778	1.1
95.04952	5.2
95.08587	21.7
95.09154	1.8
97.02884	1.9
97.06516	10.1
99.04454	2.9
99.08072	5.1
105.07010	20.0
107.08579	63.0
109.02856	1.9
109.06499	11.6
109.10146	20.9
111.08064	3.8
116.61962	1.0
117.07013	4.0
119.08557	15.7
121.06493	7.7
121.10121	37.4
123.08062	12.1
123.11677	4.2
125.09618	4.0
131.08536	15.7
133.06477	1.3
133.10103	32.5
133.36493	1.1
135.08040	13.0
135.11661	9.0
137.09601	9.1
139.07594	1.8
139.11157	12.6
140.89406	1.0
143.08533	1.5
145.10083	7.0
147.08040	1.3
147.11674	10.9
149.09598	14.2
149.13232	35.8
151.11159	14.2
153.09117	3.1
157.10075	2.1
158.11015	1.2
159.11845	1.2
161.13211	8.0
163.11192	2.5
163.14774	19.5
165.12794	2.3
167.10657	7.5
169.10080	1.2
171.11552	1.6
173.13242	27.5
179.14325	4.9
191.14278	65.6
207.13753	1.5
209.15329	42.6
221.15392	1.6
227.16379	100.0
235.51563	1.1
261.22232	2.4
289.65207	1.2
369.24356	1.3
387.25061	1.2
623.82764	1.2
649.44061	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.3413
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.8
55.01855	1.1
55.05503	9.7
57.03430	5.2
57.07066	5.1
61.02921	30.9
65.03920	1.5
67.05498	50.2
68.05804	0.9
69.03420	3.7
69.07063	8.5
69.43517	4.6
69.43937	1.7
70.06568	1.0
71.04991	4.6
71.08634	0.8
73.02905	11.6
75.04466	1.1
76.58417	0.6
79.05484	48.0
81.03416	2.1
81.07049	55.3
82.07372	0.8
83.04975	0.8
83.08604	5.5
83.92686	0.6
84.01307	0.6
84.08127	0.8
85.02898	33.9
85.06531	6.7
87.04449	0.8
87.08060	0.6
91.03946	31.6
91.05470	24.6
91.25807	0.6
93.07034	63.4
95.04973	4.3
95.08596	37.6
96.08909	0.7
97.02889	15.2
97.06508	4.7
97.10134	2.0
99.04436	2.0
99.08084	7.5
101.02337	0.7
101.05988	0.7
103.03918	0.8
105.07014	18.7
107.04987	0.8
107.08584	33.6
108.08880	0.7
109.02792	0.9
109.06490	2.2
109.10150	24.9
111.08059	2.6
111.11736	0.9
113.09602	4.6
115.03926	1.7
115.05422	0.8
117.07017	11.9
119.08572	17.0
121.10129	40.3
122.10462	0.8
123.08057	2.9
123.11686	16.1
125.09619	2.7
125.93140	0.6
127.03058	1.1
127.03904	12.1
127.18571	0.6
129.05525	0.8
129.06990	1.6
131.08554	24.8
133.10123	21.8
134.02612	0.6
135.08046	2.2
135.11674	48.9
136.12038	0.8
137.09592	3.5
137.13255	4.7
139.11143	2.5
143.08527	1.3
145.04945	15.2
145.10103	22.1
147.11673	15.0
149.09621	3.9
149.13243	28.6
150.13507	0.7
151.11177	2.9
153.12723	0.8
157.10081	1.3
159.11676	22.9
161.13249	5.0
163.06004	26.0
163.11156	3.4
163.14763	1.5
165.12630	1.2
171.11688	1.6
173.13257	17.0
175.14787	2.7
177.12698	2.8
181.12222	0.9
187.14774	5.9
189.16344	3.1
191.14349	0.9
201.11125	0.8
205.15839	1.8
205.19496	12.3
213.16415	0.8
215.17932	83.0
216.18259	3.0
217.19563	0.9
221.07956	0.9
228.92072	0.8
233.18979	100.0
234.19316	3.6
235.20529	1.6
251.19974	1.9
274.27371	5.2
307.22601	11.6
308.23184	0.7
321.50528	0.6
325.23700	25.5
326.24051	1.2
451.26889	0.9
469.27762	2.6
605.25562	0.8
649.31006	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.3413
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	13.4
57.03422	6.9
57.07061	6.4
61.02917	22.6
65.03941	2.4
67.05495	63.6
67.05867	3.0
69.03415	4.9
69.07064	9.6
71.04974	5.1
71.62513	1.8
71.62873	2.3
73.02905	7.9
79.05480	51.5
81.03423	3.1
81.06570	3.7
81.07048	72.7
83.08600	8.2
85.02893	27.7
85.06537	9.9
91.03944	27.7
91.05463	28.4
93.07033	68.4
95.04970	4.9
95.08595	52.5
97.02856	13.2
97.06537	6.5
97.10153	2.4
99.04469	1.9
99.08085	6.5
105.04476	2.5
105.07022	24.1
107.08579	37.2
109.06528	3.2
109.10147	37.6
111.08091	2.9
113.09671	5.5
117.07031	10.5
117.07722	2.0
119.08575	16.6
121.10124	49.5
123.08068	4.1
123.11699	19.6
125.09583	3.2
127.03883	11.5
129.07039	2.2
131.08542	26.6
133.10109	26.8
135.08051	3.7
135.11662	50.3
137.09636	4.3
137.13242	5.3
143.76529	2.6
145.04941	13.7
145.10101	23.4
147.11671	15.3
149.09583	3.1
149.13239	25.0
151.07527	2.6
151.11151	3.5
157.10091	2.8
159.11671	28.8
161.13229	6.2
163.06000	21.0
163.11150	4.7
163.14729	1.9
171.11720	3.1
173.13226	20.2
177.12727	6.3
181.12354	2.3
187.14847	6.4
189.16393	2.3
205.15782	2.8
205.19461	12.3
215.15837	4.1
215.17909	81.8
232.17775	2.3
233.18970	100.0
235.20494	3.4
251.20047	4.3
307.22589	33.2
321.50647	2.4
325.23734	31.7
421.65964	2.2
469.27884	11.2
598.51880	2.3
649.40289	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	649.3421
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81956	1.0
53.03932	2.0
53.56380	1.0
55.01855	1.3
55.05501	16.4
57.03429	11.1
57.07068	6.7
61.02633	1.9
61.02915	26.8
65.03916	2.4
67.05495	76.8
69.03406	3.3
69.07053	12.0
69.48711	5.7
69.49140	4.0
70.31268	1.1
71.04977	6.1
73.02908	9.9
78.85004	1.2
79.05482	61.9
80.05819	2.1
80.16991	1.1
81.03397	2.3
81.07044	79.4
83.04961	2.4
83.08614	7.9
85.02894	31.3
85.06526	9.2
87.04484	1.2
91.03947	29.7
91.05463	27.9
93.07030	77.7
95.04948	4.6
95.08594	53.6
97.02875	11.4
97.06516	6.2
97.10132	3.0
98.20728	1.3
99.04446	2.9
99.08096	9.0
101.02383	1.3
103.03926	1.9
105.07013	21.7
107.08574	43.1
109.06532	2.2
109.10139	37.2
111.08052	4.3
113.09632	5.0
115.03920	2.0
117.07008	13.4
119.08558	21.9
121.10126	53.4
123.08042	4.1
123.11689	20.0
125.09641	3.8
127.03894	8.8
129.05467	2.0
129.06969	2.9
131.08548	33.3
133.10109	29.9
135.08000	1.7
135.11676	57.6
137.09610	4.1
137.13251	7.4
139.11182	3.3
143.04161	1.2
143.08514	2.2
145.04941	14.2
145.10110	25.0
147.11665	16.4
149.09657	5.5
149.13235	31.5
151.11127	4.5
157.10210	1.2
159.11659	26.3
161.13203	6.0
163.05994	20.0
163.11139	5.5
171.11687	1.3
173.13229	21.3
175.14809	2.9
176.05396	1.2
177.12723	3.3
187.14813	6.3
189.16353	3.7
191.14081	1.6
191.17831	1.9
195.13792	1.4
203.22780	1.2
205.15915	2.8
205.19460	9.3
215.17924	88.3
216.18239	2.3
229.39973	1.1
233.18970	100.0
234.19246	2.3
237.14828	1.3
251.20033	7.5
307.22638	33.0
317.86963	1.2
325.23676	34.5
351.90207	1.3
415.24496	1.4
451.26627	2.3
469.27997	12.2
621.32520	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.2907
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03915	1.3
67.05483	4.1
70.06586	2.1
70.17474	1.0
70.74329	2.9
74.93476	1.0
79.05479	2.4
81.07043	1.6
82.06545	1.3
86.09716	0.9
86.35368	0.9
91.05449	3.3
93.07041	5.4
94.06559	10.8
95.04915	1.6
95.07335	7.0
96.08101	15.9
97.06517	1.5
100.21581	1.0
108.04441	2.6
108.08092	10.3
110.09660	26.7
118.02499	0.9
120.08076	19.2
121.10140	1.0
122.05991	11.8
123.78648	1.1
124.07565	2.1
134.05951	2.2
136.07550	11.6
137.09628	1.2
138.09117	32.1
144.04314	1.0
146.05937	3.6
148.07547	7.9
150.09097	3.1
152.07036	5.2
160.03915	6.4
164.07054	5.7
166.08612	41.0
172.03932	4.0
178.04942	1.6
182.08128	1.1
190.04927	3.8
197.10719	2.1
199.08653	1.7
204.06503	5.2
210.11461	2.0
211.08626	3.3
211.12238	3.5
212.09392	1.7
212.13049	1.6
213.10130	2.8
223.08606	3.2
223.12184	3.3
224.09193	1.3
225.10196	11.6
225.13751	1.0
226.10921	7.8
227.11722	4.8
235.08476	2.0
235.12134	1.9
236.09372	2.6
237.10236	8.6
237.13794	3.3
238.10945	6.3
239.08165	7.0
239.11751	15.6
240.12421	4.9
241.09570	1.4
241.13371	1.4
248.09328	1.8
249.10100	7.2
250.10922	7.2
251.08160	3.4
251.11720	19.1
252.08801	2.1
252.12430	4.5
253.09616	7.2
253.13281	12.1
254.10460	13.4
255.11539	1.6
255.14842	1.3
263.11774	15.7
264.08829	1.8
264.12463	6.4
265.09738	7.4
265.13303	21.7
266.10455	4.2
266.14050	1.8
267.11230	8.2
267.15027	1.6
269.12778	3.2
271.10568	1.8
271.14413	1.2
275.11816	1.5
277.09579	2.6
278.10471	3.5
279.11206	11.3
280.11932	2.3
281.12799	15.7
282.13419	1.9
283.10699	6.9
283.14291	5.4
284.11481	4.0
285.12250	19.0
286.13101	2.3
291.11343	4.9
291.41809	1.4
291.60150	1.0
292.11887	3.1
293.09540	1.7
293.12744	10.8
294.13538	1.7
295.10733	4.8
295.14008	1.7
296.11523	4.2
297.12271	17.9
298.12894	2.1
299.13812	14.2
308.11441	1.1
309.12277	63.6
310.12848	4.5
311.10434	1.3
311.13800	20.7
313.11752	1.7
319.10678	3.8
321.12387	7.5
323.10153	3.0
324.10822	1.8
325.11832	6.3
326.12384	2.4
327.13330	100.0
328.13602	3.7
337.11743	18.2
338.12518	5.2
339.13327	13.8
341.14954	3.9
356.13333	1.5
357.14487	6.2
358.15051	3.2
359.15900	11.6
369.14365	35.8
370.15091	2.8
371.15994	30.6
371.20490	0.8
372.16473	2.1
374.18509	1.2
390.18182	1.4
402.18015	2.0
404.19681	5.1
405.14471	1.4
416.19711	5.6
430.17514	7.3
432.19159	16.4
442.17032	1.7
446.20645	1.7
448.18552	40.0
449.19223	7.8
450.20209	3.6
460.18610	53.2
461.18811	3.9
474.20102	3.9
476.17685	1.4
477.18900	2.4
478.19592	3.3
480.21237	54.0
481.21332	2.7
490.19611	9.2
491.20218	2.8
492.21225	94.1
493.21594	6.2
506.22418	1.3
522.22046	7.9
523.22888	7.1
524.23462	4.7
595.25482	5.7
613.26483	25.2
614.26263	2.1
627.27527	2.5
645.28809	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	645.2446
Annotation	Unknow
Peak:m/z	Relative Intensity
56.10865	1.8
60.71791	2.0
69.67769	6.7
69.68208	8.1
73.68053	2.3
89.06002	3.8
98.93608	2.0
118.81683	1.9
133.08560	4.1
227.74095	2.0
254.21317	2.3
330.17230	2.1
463.15402	2.0
501.15930	2.2
541.98633	2.1
572.42279	2.8
573.53387	2.0
645.24628	100.0
646.24707	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	645.2544
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	1.1
55.01851	0.7
55.05495	0.6
59.15840	0.5
67.05478	2.0
69.03403	0.6
69.07080	0.6
70.06577	3.6
71.20112	0.6
71.20441	0.9
72.08126	0.7
79.05471	2.3
81.03413	2.6
81.07037	1.4
82.06538	0.5
84.08125	2.3
85.02884	1.5
86.09696	1.7
86.39497	0.5
91.05482	2.6
93.03403	0.8
93.07037	2.9
94.06547	2.3
95.04958	0.6
95.07326	1.4
95.08575	0.8
96.04471	0.6
96.08122	4.4
97.06535	1.4
103.05439	0.6
105.06998	1.3
107.08504	0.7
108.04459	0.8
108.08118	2.6
109.10126	0.7
110.09674	6.5
113.05990	0.6
117.05789	0.5
117.06992	1.0
118.06551	0.6
119.08588	1.0
120.04439	1.3
120.08076	4.8
121.06470	0.6
121.10099	1.0
122.06004	4.3
124.07582	6.0
127.03916	0.6
129.10252	0.6
133.10069	0.5
134.05991	1.4
136.07558	3.6
137.09654	0.5
138.08124	0.6
138.09134	7.5
139.96797	0.6
144.04433	1.1
145.04974	0.6
146.05988	27.8
148.07565	2.5
150.05464	1.6
152.07048	1.7
154.06467	0.8
155.08487	1.0
162.05467	1.1
163.07523	0.7
166.08617	13.7
167.09343	1.1
170.09648	2.9
172.03888	4.7
172.07512	1.0
172.11227	0.8
174.09163	0.7
175.08594	1.5
184.07617	0.6
187.12283	3.3
189.10240	0.6
190.04977	12.0
193.87134	0.5
198.09119	20.6
200.09203	1.2
200.10800	1.6
211.12160	0.7
212.10783	4.5
213.10271	1.4
215.11783	17.5
225.10164	1.0
226.08624	6.1
227.08252	0.9
227.11754	1.9
228.08763	0.7
229.13341	1.0
234.98831	0.8
237.10225	0.8
239.11806	1.2
240.10132	2.0
241.09668	2.1
241.13216	1.5
242.10423	3.6
243.11264	92.9
244.11606	2.2
253.09807	0.7
253.13330	1.2
255.11261	6.7
256.12036	1.0
257.12817	6.6
269.09250	0.6
271.14368	1.7
281.12903	0.7
284.11487	0.9
285.12305	90.2
286.12735	3.4
299.13861	15.5
300.14474	0.8
301.11795	5.9
302.12152	1.3
303.13358	100.0
304.13727	2.5
313.12366	0.7
315.13574	0.6
325.11859	1.6
343.12799	1.5
355.13144	0.8
384.41190	0.7
413.14615	0.7
418.17331	2.5
430.17581	1.5
436.18564	3.2
439.05710	0.7
448.18579	1.8
462.16205	1.2
474.16626	1.8
483.22153	1.2
555.26233	0.7
565.24353	0.8
583.25439	10.2
584.26331	0.8
601.28711	2.4
627.24341	2.9
645.28375	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	644.493
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	2.5
57.07067	33.3
59.04979	1.1
67.05489	2.1
69.03414	0.9
69.07060	2.8
69.71912	2.1
69.72337	2.2
71.08623	26.2
72.08984	0.7
73.02888	0.6
73.06541	6.6
79.05490	1.0
81.07043	1.8
83.08617	2.0
84.06580	0.5
85.02347	0.5
85.10166	16.1
87.04453	7.9
88.05311	0.5
89.06017	100.0
91.05457	1.2
91.07593	0.8
93.07023	2.3
95.04993	0.7
95.08607	1.2
97.10159	3.1
99.11709	3.3
104.81585	0.6
105.07011	1.0
107.07070	3.7
107.08564	0.9
109.06503	0.5
111.11712	2.2
113.13283	2.1
117.09107	8.3
121.06499	0.6
121.10083	0.7
125.13287	0.7
127.14787	1.0
130.08636	4.6
131.07054	2.9
131.08600	0.6
133.08583	54.8
134.08914	0.5
135.10159	0.8
136.44801	0.5
151.92264	0.6
161.11682	3.0
169.19501	4.6
175.09691	1.7
177.11201	25.7
181.92792	0.5
213.22072	2.6
221.13762	4.6
223.15392	0.8
239.14955	2.1
254.24902	0.7
257.24734	10.3
265.16315	1.0
283.17459	3.0
292.19843	0.9
301.27325	7.0
309.19019	0.6
327.20132	2.4
353.21841	0.8
371.22726	0.6
389.42001	0.5
415.25299	0.8
449.31400	0.5
459.27841	5.3
583.44250	1.1
620.50409	0.6
626.44867	0.7
627.46735	9.7
644.49011	6.3
644.58514	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	644.3841
Annotation	Unknow
Peak:m/z	Relative Intensity
54.75537	0.5
55.05490	2.4
57.03425	3.5
57.07066	28.9
61.02916	11.5
67.05498	8.0
69.03399	2.0
69.07056	7.0
70.01434	3.4
70.01749	0.9
70.06577	0.7
71.04960	0.7
71.08620	26.0
73.02902	4.2
75.04456	1.9
79.05459	0.8
81.03395	1.2
81.07040	11.5
83.04966	0.6
83.08607	4.4
85.02415	1.0
85.02888	13.4
85.06512	0.7
85.10162	13.5
89.06020	1.3
91.03397	1.0
91.03937	13.6
93.07014	1.2
95.08592	18.5
96.06561	0.5
97.02879	7.1
97.06477	0.7
97.10152	4.0
99.04429	0.8
99.11735	0.8
105.06972	1.2
109.10141	9.2
111.11696	3.4
115.03935	0.8
117.06902	0.6
117.09001	0.7
119.08522	0.5
121.06488	0.8
123.11668	3.9
127.03905	5.2
133.10107	0.7
137.13216	1.7
145.04922	6.6
151.42978	0.6
163.05988	11.3
194.20779	0.6
204.08812	0.6
211.20523	20.8
211.22537	1.1
212.20837	0.7
229.21567	3.1
247.22675	0.7
270.24265	0.6
285.24185	100.0
286.24561	3.2
287.60184	0.6
303.25235	49.3
304.25522	1.9
447.29495	2.6
539.54028	0.6
581.23700	1.3
648.81995	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2407
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05413	0.6
62.02294	0.5
67.05312	1.3
67.05701	1.5
71.63291	0.8
79.05275	1.0
79.05701	1.1
81.06773	1.3
81.07287	1.7
83.04738	0.5
83.05154	0.6
83.07087	0.5
91.05155	1.0
91.05700	1.2
91.40952	0.5
93.06734	0.8
93.07249	0.9
95.05180	0.6
95.08308	0.7
95.08838	1.0
100.02694	0.5
105.07242	0.7
107.08773	0.7
121.10383	1.1
131.08850	0.6
135.11990	0.5
141.83603	0.5
142.92064	0.5
145.10410	1.2
164.33966	0.5
273.18713	0.9
335.25870	0.9
347.96271	0.5
351.25430	0.7
393.20117	0.5
397.13077	0.6
410.14090	1.5
411.14255	3.7
412.15485	2.3
413.16452	1.1
424.11148	1.0
425.16238	5.3
426.16806	5.2
427.17773	0.8
428.18503	0.7
438.13409	2.1
439.13211	5.5
440.19138	1.2
441.19247	19.7
442.19537	3.1
452.15033	2.2
453.14911	5.8
454.16382	2.3
463.14319	0.9
467.17157	15.1
467.23184	0.8
468.17758	9.4
469.18723	9.9
470.19165	1.2
471.16403	0.8
481.14713	9.4
482.15683	2.8
482.21857	0.6
495.17120	2.2
496.17096	15.3
497.17447	3.3
499.15640	0.8
509.18512	1.7
512.21161	0.9
514.22491	0.6
522.17615	0.7
523.19623	0.7
527.23151	1.2
537.19629	1.2
542.22125	1.1
545.38171	1.1
555.22357	16.1
556.22827	3.0
568.19275	0.6
583.21826	100.0
584.22058	14.0
587.24640	0.8
593.26556	2.5
599.27850	0.8
607.28430	0.8
611.20184	1.2
611.28729	1.1
615.24445	7.3
616.24225	1.0
625.28857	5.6
625.44165	0.8
643.23511	36.7
644.23846	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	643.2387
Annotation	Unknow
Peak:m/z	Relative Intensity
57.33960	0.6
63.08377	0.6
64.69070	0.5
69.49785	4.1
69.50184	0.9
77.97831	0.5
100.37640	0.5
134.90448	0.5
141.01472	0.5
165.39957	0.5
228.00284	0.5
274.94672	0.5
311.87238	0.5
396.12195	0.7
397.13022	1.1
398.13342	1.1
399.14667	0.6
408.13303	0.5
409.12976	0.8
410.13464	2.6
411.14532	5.2
412.15271	4.6
413.15958	2.8
423.14520	1.5
424.10779	1.4
424.15308	1.9
425.16281	9.5
426.16879	8.4
427.17487	2.1
428.18335	1.5
437.16638	0.6
438.12265	2.9
438.18231	0.8
439.13559	14.6
440.19012	5.5
441.19229	37.5
442.19452	3.3
452.14078	3.3
453.15329	16.7
454.15829	4.7
463.14682	0.6
466.16885	0.8
467.17175	23.6
468.17804	14.6
469.18759	12.6
470.18918	0.6
471.16617	1.0
481.14709	11.7
482.15195	3.2
485.18039	1.0
495.15796	3.1
496.17096	12.8
497.17593	2.7
498.18494	0.8
499.20093	0.8
509.18420	2.5
512.20331	0.9
514.22272	2.4
522.18188	0.8
523.19556	1.1
527.23077	3.8
528.24121	0.6
555.22345	30.9
556.22443	2.7
583.21826	100.0
584.22083	12.8
587.24921	1.9
592.90912	0.5
611.21661	1.5
615.24390	11.8
615.34277	0.6
616.24164	2.3
643.23846	88.4
644.24060	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	643.2512
Annotation	Unknow
Peak:m/z	Relative Intensity
54.97623	0.2
59.87640	0.2
62.65588	0.2
63.34911	0.2
64.04070	0.2
67.05484	0.3
69.66705	1.8
70.09687	0.2
81.07038	0.4
93.07047	0.2
95.08611	0.3
147.85847	0.2
218.13577	0.3
270.11417	0.3
467.18088	0.3
545.38300	0.5
642.58484	0.4
643.25171	100.0
644.25482	10.1
644.34930	0.2
659.77057	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.3118
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	0.9
57.07056	3.1
57.40361	0.8
67.05511	1.4
71.08606	2.4
71.63602	1.1
72.08891	0.8
79.05462	1.0
85.10181	1.2
87.04450	0.9
89.06024	7.5
91.05438	0.9
93.07041	1.1
96.61561	0.9
120.10749	0.9
133.08611	5.6
151.24535	0.8
177.11320	1.9
239.15309	1.4
249.13861	1.8
261.13898	1.7
275.15341	2.0
289.16864	1.1
352.18228	1.2
363.16046	1.0
368.21161	1.7
375.15396	1.0
377.17630	3.7
378.18362	1.2
379.19186	2.4
381.20905	0.9
390.18762	1.0
391.19479	4.0
392.19986	2.8
393.20551	2.7
395.18515	2.0
405.20737	1.5
406.21365	2.2
407.22467	4.7
409.19940	6.2
410.20438	1.4
421.24203	5.9
423.21649	5.0
424.21942	1.3
425.20175	1.1
440.23135	1.2
451.20847	1.3
465.22794	9.9
479.24701	4.6
480.24692	1.6
482.22971	1.2
493.25873	2.0
494.26471	1.0
495.27750	4.2
497.25375	1.4
511.27036	12.6
525.28070	2.4
537.24799	2.5
539.26263	1.7
541.28046	1.8
552.26434	1.9
553.27924	1.4
555.25586	1.4
567.29590	18.6
568.29584	2.9
569.27686	3.4
583.29102	5.8
584.29681	3.4
599.32251	100.0
600.32611	6.9
611.28619	2.0
643.31409	12.5
644.30457	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	642.5139
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	2.9
57.07066	34.9
67.05495	1.1
69.07063	4.0
69.47508	1.0
69.47923	2.9
71.08620	33.1
73.06538	8.7
79.05518	0.4
81.07040	1.3
83.08613	4.3
85.10168	19.1
87.04459	7.2
89.06017	100.0
90.06346	0.7
91.07570	1.2
93.07030	0.4
95.08593	0.5
97.10159	6.7
99.11734	3.1
107.07040	3.6
111.11681	3.0
113.13267	1.4
117.09130	7.9
119.08591	0.5
125.13257	1.5
127.14838	1.6
130.08595	4.8
131.07072	2.2
133.08580	59.5
134.08923	0.6
135.10158	0.9
139.14851	1.2
141.16351	1.5
149.09601	0.5
153.16350	0.6
155.17938	0.7
161.11705	2.5
175.09680	1.2
177.02620	0.4
177.11198	26.2
179.12724	0.6
179.23828	0.4
211.24178	2.8
219.12199	0.7
221.13811	6.2
223.15285	0.6
239.14734	2.4
255.26837	3.6
265.16296	0.8
283.17419	3.5
299.29422	9.4
309.19025	0.8
327.20078	2.0
343.31970	7.2
371.22556	1.4
415.25345	8.0
449.37811	0.6
464.90561	0.5
537.43372	1.1
544.74548	0.5
581.45831	1.1
625.48755	12.3
626.48840	0.9
642.50745	6.3
643.24750	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	642.2901
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01612	0.3
53.03924	0.9
55.01855	0.4
55.05499	1.5
56.05021	0.8
57.03411	0.4
62.80934	0.3
65.03927	0.5
67.04216	0.7
67.05486	0.4
69.03425	3.1
69.49857	2.2
70.06584	13.3
71.04984	6.6
71.06897	0.3
72.08137	0.7
73.02908	0.5
79.05480	1.3
80.05019	0.6
81.03410	1.8
81.07049	0.4
82.06570	26.2
84.04487	0.6
84.08131	36.1
85.02901	2.4
86.09693	0.6
87.04438	0.3
91.05470	1.0
91.39138	0.3
93.07021	0.9
95.04953	0.9
95.08579	0.7
96.08112	0.6
97.02888	2.3
97.06499	0.6
98.09675	1.2
98.21500	0.3
99.04433	1.0
100.07601	13.4
107.04940	97.9
108.05270	0.8
109.02872	2.5
111.08057	1.4
115.03886	0.6
120.08086	0.6
121.06478	2.0
121.08821	0.3
122.09621	1.6
123.04409	0.6
123.08034	0.9
124.11215	2.4
126.09138	15.9
127.03909	2.0
130.05038	0.4
131.04903	0.3
134.09602	0.3
135.11659	0.5
136.11191	0.9
136.80594	0.3
140.10695	0.8
145.04955	1.0
145.06456	1.0
147.04317	0.5
149.05963	4.0
159.07997	0.4
163.11163	0.5
173.05963	0.6
175.07471	0.3
175.76009	0.3
187.05963	0.4
191.07030	3.9
199.11212	0.7
203.10619	0.7
217.12231	2.5
227.12822	0.5
228.13902	1.1
242.22549	0.3
242.94058	0.3
246.14867	9.1
249.07544	0.5
272.16360	2.3
283.15341	1.9
290.17462	3.4
408.20126	2.3
439.50601	0.3
452.22794	2.5
598.26178	2.8
624.27917	6.2
642.28986	100.0
643.29376	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	641.2958
Annotation	Scortechinone S
Peak:m/z	Relative Intensity
55.05500	1.0
67.05489	2.2
71.60777	0.8
74.68874	0.7
75.06853	0.7
79.05447	1.7
79.99441	0.7
81.07052	2.1
83.04915	0.9
85.04926	0.6
91.05447	1.0
93.07008	1.7
95.04947	0.8
95.08581	0.9
105.07027	1.0
107.08582	1.4
117.52081	0.7
119.08591	1.2
134.31032	0.6
135.20313	0.7
158.09673	0.8
209.10713	1.3
219.07323	0.8
223.12073	1.5
224.13097	0.9
225.13756	0.9
227.11894	1.0
237.10286	0.9
239.11740	1.0
239.15483	1.1
289.17914	1.1
305.18689	0.7
313.15439	1.5
316.14700	0.8
318.16101	1.2
319.16815	1.2
346.18839	0.8
384.17108	1.7
392.19604	2.1
393.20618	1.0
403.19443	1.4
404.20020	1.7
405.21033	1.5
406.21225	2.9
407.22375	4.5
412.16345	1.1
415.18848	1.2
416.20468	0.9
417.20862	2.9
418.21649	2.6
419.22214	2.3
420.22922	1.0
421.23886	3.2
422.24445	4.3
429.20831	2.7
430.21884	0.8
431.22351	2.5
432.23010	1.0
433.24030	2.9
434.24515	4.2
435.21848	1.0
443.22336	1.6
444.18906	2.0
444.23944	1.2
445.18982	1.0
445.24030	2.9
447.26224	1.0
449.23044	0.8
457.19681	0.9
459.21768	2.5
460.22354	1.6
461.19113	1.4
462.20679	2.5
463.21341	1.8
472.22253	1.1
473.23328	2.8
474.23950	1.1
475.21185	4.3
476.22025	1.3
477.22809	12.5
487.25153	4.5
489.22958	1.6
490.23340	1.0
491.24716	3.5
505.25912	1.3
506.26776	2.8
519.27405	2.1
535.23535	2.1
545.25439	7.2
547.26917	12.9
549.25000	9.3
550.25671	11.4
563.26239	3.9
564.27155	2.9
577.27454	1.4
579.29987	5.3
581.27289	1.6
591.25873	9.8
594.23706	0.9
605.27466	15.9
609.26978	9.8
623.28522	100.0
624.28711	2.4
626.26935	1.0
641.29474	8.1
641.39801	0.9
641.44482	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.2957
Annotation	Crooksiine
Peak:m/z	Relative Intensity
55.05486	0.8
58.37461	0.5
63.04555	0.5
67.05497	1.7
69.51671	1.1
69.52087	2.9
70.10226	0.4
72.57893	0.5
79.05478	1.2
81.07044	2.1
83.08583	0.5
89.06004	0.7
91.05433	1.1
93.07020	0.9
93.97970	0.4
94.06550	0.4
94.67635	0.4
95.08587	1.2
97.06507	0.5
98.20732	0.8
105.06998	0.7
107.08590	0.7
109.10162	0.7
122.90189	0.5
133.10115	0.5
146.09624	0.5
170.09769	0.6
173.10765	0.6
180.07941	0.5
183.09261	0.6
185.10823	1.0
188.03442	0.7
195.09009	0.5
196.09932	0.5
197.10759	1.1
208.09877	0.7
209.10724	1.0
210.11400	1.1
211.12259	2.5
212.12947	0.7
213.13860	0.7
223.12337	1.9
224.13069	1.7
225.10245	0.7
225.13878	2.6
227.11761	1.2
235.12311	1.2
237.13823	2.2
238.14565	1.5
239.11777	1.3
239.15421	2.0
249.13870	1.0
251.15352	1.5
261.14017	0.6
263.15540	0.6
269.12839	0.6
272.12091	0.6
274.13437	0.6
275.15155	0.6
275.20081	0.7
276.15070	1.0
277.15970	0.9
278.16663	0.7
279.11356	0.8
290.16629	1.4
292.18170	1.1
298.13376	0.6
301.16089	0.5
304.14636	1.1
304.18130	1.3
305.18909	1.9
307.10721	0.8
313.15308	2.2
314.16522	0.8
316.14655	0.7
318.16284	1.4
319.16852	1.7
321.12247	1.2
327.13745	0.6
330.16110	1.1
331.17261	0.9
332.17599	1.4
334.19220	1.2
340.14566	0.7
344.17508	0.9
345.18677	0.8
346.19110	0.9
347.19879	0.6
354.12469	0.8
358.19318	0.8
360.17053	0.6
360.21069	0.8
368.14026	0.9
369.15060	0.5
374.18552	0.6
375.19781	1.0
379.19150	0.8
384.17084	3.1
388.20386	1.0
390.21899	1.1
391.19223	1.8
392.19839	2.6
393.20642	2.5
403.19376	1.0
404.19907	0.7
405.21176	1.8
406.21356	3.7
407.22247	5.8
408.22980	1.7
412.16333	2.5
415.19186	1.6
416.20081	0.8
417.21060	1.9
418.21307	1.6
419.22318	3.0
420.23196	2.5
421.23715	7.0
422.24411	9.1
426.17871	0.8
427.18982	1.0
429.20840	1.6
430.22070	0.8
431.18130	0.8
431.23019	0.8
432.23517	0.9
433.15939	0.7
433.24048	1.6
434.17548	1.5
434.24402	6.2
435.22165	1.0
444.18909	3.3
445.24472	0.9
447.17001	0.8
448.19131	0.7
449.23380	0.5
458.20563	0.9
459.21545	2.4
460.18262	0.6
461.18845	0.8
461.23926	1.0
462.19641	2.2
463.21106	9.2
473.23853	0.8
474.23914	0.6
475.21283	3.3
476.21231	1.8
477.22821	4.7
479.24408	0.7
485.23676	0.7
486.24231	0.6
487.24805	2.0
489.22922	2.0
490.22888	0.7
491.24591	2.6
494.26923	2.8
495.16348	0.8
495.27548	2.1
501.19330	0.8
503.20889	0.7
506.27057	0.7
508.22513	1.1
515.24255	0.7
517.22064	1.1
518.23297	0.9
519.27393	1.2
520.20795	1.1
521.25311	1.1
523.27008	1.2
532.24622	0.8
534.22369	1.4
535.22015	0.8
545.25336	7.5
546.26111	0.9
547.19531	0.6
547.27039	7.0
548.25183	0.8
549.24908	16.4
550.25580	5.6
561.21332	1.7
563.26587	5.8
564.27155	1.0
565.28064	2.0
566.24915	1.4
576.23865	1.4
577.24237	0.9
579.29559	2.0
581.27313	1.6
591.25952	36.1
592.26398	1.3
594.24176	2.1
595.28888	0.8
605.27600	7.2
608.26184	0.6
609.26947	17.2
610.27216	0.7
623.28540	100.0
624.28613	3.5
626.26904	1.7
641.29602	19.2
642.22345	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.422
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89317	0.3
55.05488	1.3
57.03433	0.6
57.07060	0.5
57.63682	0.4
58.64116	0.4
67.05495	4.5
68.87187	0.3
69.07053	0.9
71.64214	0.6
77.30170	0.3
79.05478	1.8
81.07052	3.2
83.08621	0.7
91.05476	1.2
93.07018	2.2
95.08601	2.4
105.07007	1.1
107.08595	1.0
109.10159	1.0
119.08537	0.6
131.08585	0.6
133.10138	0.7
151.08701	0.4
219.09827	0.4
224.13014	0.4
250.10703	0.5
287.16229	0.5
302.87936	0.4
305.17197	5.4
333.20325	2.0
335.25629	0.6
361.19757	3.3
389.22949	0.4
421.23972	0.6
467.36636	0.8
553.35022	0.7
595.29254	0.7
607.26520	0.4
615.84357	0.4
621.27057	1.3
639.29614	5.4
639.42188	100.0
640.29095	1.3
640.42572	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	640.2739
Annotation	Demethyl-desacetyl-rifamycin S
Peak:m/z	Relative Intensity
53.03926	1.2
54.27729	0.2
55.84649	0.2
57.03414	0.3
61.02907	0.3
66.18128	0.2
68.05020	1.2
69.03404	1.4
69.52421	0.3
69.52832	1.6
70.06579	88.8
71.04974	0.3
71.06913	0.7
72.08118	0.2
73.79045	0.2
79.05486	0.5
80.05031	0.5
81.03409	1.6
81.07060	0.2
82.06564	2.6
82.61839	0.2
84.07623	0.3
84.08128	5.1
85.02893	2.1
85.59126	0.2
86.09689	0.3
91.05431	0.5
93.03441	0.2
93.07039	0.4
95.04947	0.8
96.08099	0.9
97.02869	1.6
97.06499	0.3
98.06068	0.3
98.09693	0.2
99.04438	0.3
100.07596	14.0
103.05441	0.3
107.04935	34.1
108.05273	0.4
108.08125	0.3
109.02855	3.8
115.05436	0.3
119.04939	0.6
120.08068	1.7
121.02840	0.4
121.06487	1.3
122.09647	0.6
123.04407	15.4
123.08076	0.2
127.03852	1.1
131.04907	0.4
133.06444	0.5
134.09593	1.5
135.04352	0.4
136.07570	0.4
136.11200	1.9
137.06001	0.5
145.06467	0.9
146.09618	0.2
147.04388	4.9
147.08092	0.4
148.11226	0.6
149.05965	1.1
150.09134	2.0
152.10657	0.5
156.45975	0.2
157.06511	0.9
158.09554	0.3
159.08037	0.3
160.11147	0.3
161.06017	0.4
163.07512	1.3
164.10649	0.4
165.05518	0.4
165.06978	0.8
172.11203	0.5
175.07523	0.4
176.10681	0.4
178.08669	0.7
183.06650	0.2
183.08012	1.3
184.11105	0.3
185.11986	0.4
187.07532	0.5
188.10719	0.7
190.12231	0.7
197.09766	0.3
200.10625	1.7
201.09055	1.2
202.12311	0.5
204.10176	1.0
211.07486	0.4
212.10696	0.3
214.10442	0.2
214.12172	1.1
216.10216	0.6
218.11743	0.7
219.08011	0.2
225.09122	0.6
229.08575	1.7
230.11795	0.5
232.13364	0.4
243.10184	0.4
256.13251	0.4
262.14264	0.4
267.10126	0.7
269.11642	0.3
270.14944	0.3
271.09741	0.4
285.11075	1.1
290.15463	0.3
294.14856	0.4
298.14056	0.3
303.05307	0.3
312.15744	0.3
315.13416	0.3
316.13690	0.4
320.16382	3.8
324.15884	1.0
336.15967	0.7
338.17551	0.9
340.15372	0.7
345.09607	0.4
346.10236	0.3
354.16852	0.4
358.16602	0.7
434.22333	0.3
460.21179	1.6
478.22559	1.4
520.21729	0.3
604.25671	0.6
622.26306	9.9
623.26831	0.3
640.27393	100.0
641.27704	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.2953
Annotation	Crooksiine
Peak:m/z	Relative Intensity
59.21453	0.2
70.46909	0.6
72.73015	0.2
73.23958	0.2
81.07028	0.4
91.05467	0.3
107.34420	0.2
135.71333	0.2
211.16992	0.3
328.14453	0.2
340.14499	0.2
349.90875	0.2
377.17676	0.6
378.18350	0.5
379.19159	0.7
391.19321	1.2
392.19974	0.6
393.16638	0.2
393.20816	1.6
394.21338	0.4
395.21957	0.3
404.20401	0.3
405.16391	1.8
405.20944	0.7
406.17102	1.3
406.22256	0.4
407.18320	0.8
407.22696	3.6
408.23154	1.0
409.24030	0.3
418.17825	0.5
419.18216	2.8
419.23730	0.2
420.19138	1.9
420.23962	0.2
421.20172	4.4
422.20834	0.7
423.21802	1.2
432.19165	0.2
433.20169	4.8
433.25284	0.3
434.21231	3.9
435.21896	6.7
436.22522	1.7
446.21390	0.3
447.22281	1.5
448.18481	0.4
448.23434	0.3
449.19461	7.4
450.20132	0.7
451.20938	0.3
461.23563	0.8
462.20386	0.7
463.21085	3.0
464.22031	2.6
465.19287	0.8
466.23795	0.3
467.24271	0.7
468.25052	0.3
475.20969	0.3
476.21979	0.6
477.22736	0.9
479.20047	1.2
480.21390	0.5
481.22064	1.7
489.22897	0.5
493.21417	1.9
494.22983	3.0
495.23688	3.5
496.24084	0.3
506.23187	0.3
507.23874	1.8
508.24454	0.4
509.25433	0.5
521.25598	9.7
522.25909	0.9
523.26965	0.7
526.25787	0.4
535.23529	0.8
539.22229	1.5
549.24872	0.9
550.25677	0.4
551.26270	0.3
553.26813	0.7
563.26776	1.2
566.24170	0.3
567.26105	0.5
580.26416	0.3
581.27527	21.5
582.27686	1.6
609.26709	0.4
610.28027	0.4
612.25793	0.5
613.30548	0.3
623.28619	0.5
641.29553	100.0
642.29736	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	639.2799
Annotation	Moluccensin G
Peak:m/z	Relative Intensity
55.05497	0.5
67.05486	0.4
71.63021	0.4
79.05480	0.5
81.07046	0.5
91.05492	0.6
93.07085	0.4
94.59608	0.3
95.04986	0.3
104.10706	0.5
105.07069	0.3
115.41266	0.3
119.08601	0.4
128.72528	0.3
207.59602	0.3
211.08788	0.3
225.13782	0.3
237.10304	0.5
249.10420	0.3
269.52942	0.3
275.20126	0.4
285.12512	0.4
314.12759	0.4
327.99997	0.4
392.16068	0.7
393.16718	0.6
393.21149	0.7
405.17117	0.5
406.17944	0.8
407.18494	1.8
409.19739	0.4
417.16785	0.5
419.19119	0.6
420.15167	0.8
420.19583	1.1
421.20413	5.0
422.20898	1.4
423.21664	0.9
433.20291	1.2
434.17398	1.2
435.17206	2.4
435.22839	0.7
436.22955	1.7
437.23654	0.4
445.16418	0.6
446.21417	0.4
447.17374	0.6
447.21951	1.1
448.18356	2.2
449.19565	9.2
450.20499	2.6
459.18356	1.1
460.18918	0.5
461.19809	1.7
462.20447	1.0
463.21509	4.0
464.22192	5.0
465.23093	0.8
473.19736	0.7
474.20749	0.8
475.21625	1.6
477.18863	5.6
478.19461	1.8
479.20535	0.5
488.22131	0.4
491.20853	1.1
492.21149	1.5
493.22421	1.0
495.24051	0.6
505.22150	1.0
507.24524	1.0
519.20721	0.5
521.21924	0.6
523.23083	2.3
529.22357	0.4
533.22095	1.0
534.22839	0.4
535.23541	2.6
536.24011	1.4
537.21619	1.1
547.23267	0.4
549.21393	0.5
550.25732	1.5
551.26538	3.0
561.24890	4.0
563.23248	0.5
564.23566	4.6
565.24164	2.3
579.25934	6.2
581.23938	0.8
592.23163	0.6
595.25763	2.7
596.26288	1.2
597.26965	0.7
607.25092	1.7
610.28021	1.0
611.28790	0.5
621.27032	3.3
622.26831	0.6
624.25696	4.8
639.27991	100.0
640.28308	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	638.4974
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09619	2.7
53.03931	4.0
55.01850	4.5
55.05261	3.2
55.05502	49.5
57.03415	18.6
57.07068	22.1
59.44742	2.7
64.85869	2.7
67.05162	4.2
67.05492	49.5
69.07055	68.3
71.04964	3.1
71.08622	17.1
71.31516	4.6
71.31846	3.3
78.52728	3.1
79.05477	36.6
81.03378	5.1
81.07037	55.1
83.04964	4.4
83.08603	54.0
85.06478	4.6
85.10152	5.6
91.05465	36.2
93.07025	44.3
93.83444	2.9
95.04929	9.0
95.08589	34.1
97.06496	14.2
97.10159	32.1
105.07000	26.2
107.04932	3.7
107.08575	27.1
109.06493	3.3
109.10128	11.1
111.08028	4.4
111.11698	9.3
117.06969	17.8
119.08572	18.7
121.10092	10.1
123.11636	4.6
127.71241	2.8
131.08534	19.3
131.57904	2.9
133.10094	18.2
135.11652	14.2
137.09576	4.3
140.63498	3.2
145.10117	13.1
147.11642	9.6
149.09624	6.9
149.13220	7.7
150.92339	3.2
157.10144	5.0
159.11644	11.3
161.13124	3.8
163.11111	4.5
163.14745	3.8
173.13216	5.5
189.10999	3.0
195.13702	3.3
217.15903	4.1
237.22038	4.7
239.17984	4.0
251.16570	3.8
255.15915	7.8
257.18930	8.4
269.17392	11.9
275.19989	22.7
291.19604	7.3
293.09586	3.1
307.76932	3.2
311.25742	99.1
313.27090	3.0
331.22662	3.6
341.26898	4.2
349.23746	23.9
465.35394	4.3
491.36929	21.5
505.38776	100.0
506.38544	6.4
520.40521	3.3
521.01538	3.3
545.41772	8.3
585.44800	23.2
603.46552	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	637.3006
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01286	0.5
57.07082	0.8
67.05483	1.5
70.88470	1.4
71.08599	0.7
81.07036	1.4
83.08617	0.6
88.54211	0.7
91.05481	0.7
92.05762	0.6
93.07019	1.1
95.08599	1.0
103.65839	0.5
105.07011	1.1
109.10152	0.9
132.68532	0.6
147.11798	0.7
154.06686	0.6
161.75571	0.6
211.35600	0.7
286.25317	0.7
292.51480	0.6
389.18280	1.1
391.19370	1.7
400.16940	0.8
401.17480	1.2
404.20938	1.6
405.20834	3.2
406.21463	4.3
413.17746	1.4
414.18399	2.5
415.19211	3.3
417.20810	1.2
419.22220	1.9
420.23099	3.4
421.23804	8.0
427.19339	1.6
428.20041	2.2
429.20798	10.1
430.21606	2.2
431.17950	0.9
431.23065	1.0
433.19647	1.5
433.24536	1.2
434.24716	1.4
442.21793	1.7
443.22525	4.4
444.23083	3.4
445.20096	3.1
446.20844	1.1
447.17740	1.4
456.19534	0.9
457.19113	1.0
457.24173	2.3
458.24866	4.9
459.21973	5.9
460.22507	2.4
461.19250	7.4
471.21915	1.9
472.22699	5.6
473.23981	1.6
475.21317	2.5
476.21988	5.3
485.23392	9.5
486.19446	1.1
486.24356	2.0
487.21384	1.7
488.22012	4.5
489.22830	1.3
499.21118	1.1
500.21954	1.2
502.23434	1.1
503.24304	16.1
504.23816	0.9
513.22369	1.4
514.23590	0.9
517.26105	5.7
529.26025	1.7
535.27008	22.6
545.25378	61.5
546.25488	3.3
563.26111	4.8
573.24884	15.6
574.24670	0.8
605.27460	55.8
606.27930	2.9
637.30090	100.0
638.30328	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	638.4252
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	10.8
54.13419	3.8
55.01859	9.1
55.05501	34.6
57.03420	11.2
57.07062	8.5
58.70243	3.2
65.03912	5.0
67.05495	78.4
69.03414	41.3
69.07069	27.3
69.30802	5.9
69.31201	40.2
69.45831	3.5
71.04964	13.7
71.08606	4.2
73.02911	5.0
79.05486	96.3
79.15518	3.4
81.03410	57.1
81.07046	80.6
83.04965	15.5
83.08606	21.2
85.02896	37.0
85.06528	13.6
91.05461	62.7
93.07032	100.0
95.04964	15.8
95.08591	74.7
97.02872	26.6
97.06515	72.2
97.10158	7.7
99.04445	7.0
99.08089	6.9
103.03958	5.7
103.05403	5.1
104.10792	4.3
105.07030	62.4
107.04939	11.4
107.08572	64.5
109.02883	10.2
109.06501	14.5
109.10139	36.7
110.82327	3.6
111.04410	12.8
111.08047	7.3
113.09648	3.2
115.05472	7.6
117.07014	33.4
119.08567	61.4
121.06451	9.4
121.10130	61.0
123.04407	6.6
123.08046	12.3
123.11673	11.4
125.09622	7.1
127.03886	12.2
129.05461	6.0
129.06976	20.0
131.08540	49.7
133.06453	10.2
133.10115	52.8
135.08040	13.5
135.11674	33.7
137.09604	12.3
139.07564	5.8
141.06970	4.5
143.08551	18.1
145.06505	7.3
145.10091	43.0
147.04349	3.4
147.08006	8.8
147.11646	49.5
149.05904	4.0
149.09615	17.4
149.10904	3.7
149.13220	27.6
151.11157	8.2
155.08553	10.4
157.10083	24.3
159.08040	8.1
159.11678	39.9
161.09583	11.0
161.13205	11.9
163.11183	13.2
163.14861	4.1
163.57256	3.8
165.09126	7.3
169.10120	14.2
169.12318	6.2
171.11638	24.6
173.09596	6.5
173.13223	27.4
175.11185	11.6
175.14706	4.3
177.12686	10.0
179.10692	5.1
181.10068	4.4
183.11699	14.7
185.09650	4.2
185.13197	13.0
187.11224	9.1
187.14827	6.7
187.99062	3.7
189.12712	6.8
191.10712	5.3
191.14268	12.1
193.10129	4.4
195.11647	5.5
197.13298	10.3
199.11157	4.8
201.12688	5.9
203.14253	4.9
203.18030	4.2
209.11644	9.1
209.15382	13.2
213.16408	12.3
215.14323	6.3
215.17822	20.5
218.08122	4.0
221.13428	5.3
225.12756	6.2
227.16119	23.6
227.18271	5.7
231.13748	6.3
231.17401	14.1
233.18979	20.7
239.17809	7.4
243.13741	4.1
243.17418	7.5
245.18999	8.8
249.18539	19.1
251.20114	8.9
257.18884	9.0
263.20145	8.7
273.18344	5.8
275.19928	30.0
287.20120	8.9
289.14474	4.1
289.21701	5.2
291.19461	8.9
295.20483	6.5
299.19931	4.7
303.19611	4.3
307.15439	5.5
313.21576	10.8
317.20950	12.0
320.88297	4.0
323.19995	20.7
329.21292	6.8
331.22986	5.0
341.21021	47.7
359.22104	48.5
377.23157	65.6
395.24124	28.9
420.18585	3.6
578.24847	6.5
597.26270	4.7
607.25989	4.3
618.41638	4.2
621.26245	9.6
638.26764	23.1
639.27515	24.2
639.38953	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.3003
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14814	0.4
51.69951	0.4
60.73898	0.4
67.05508	0.7
79.05480	0.7
82.07384	0.5
91.05465	0.5
93.07027	0.4
95.08596	0.5
114.59751	0.4
127.20595	0.4
168.08234	0.4
184.11186	0.5
185.07393	0.4
209.10857	0.6
224.12769	0.5
237.34593	0.4
242.18748	0.5
352.25027	0.4
389.17944	0.6
401.17429	0.6
403.19257	1.2
404.20444	0.6
405.21082	0.8
415.19504	1.0
416.20343	0.5
417.20956	1.5
418.21786	0.6
419.22318	1.4
429.21094	1.0
430.17926	1.9
431.18130	2.9
431.23734	0.6
432.18777	0.8
432.23816	0.6
433.20306	0.6
435.22171	0.5
443.18680	1.6
444.19086	2.5
445.20032	9.1
446.21176	2.4
447.21863	1.3
457.20334	0.9
458.20825	7.2
459.21634	6.3
460.22629	6.1
461.19366	3.1
473.23236	0.8
475.20859	2.1
476.22293	1.1
477.22964	1.7
489.23041	0.7
491.24240	1.7
504.25101	1.2
505.22113	0.8
509.19229	0.5
516.22339	0.5
517.21875	0.9
518.22961	6.0
519.23615	0.8
530.23041	0.6
531.23682	1.1
532.24982	0.6
533.25446	3.0
535.23657	1.0
545.25189	2.6
546.26318	2.4
547.27161	0.6
549.24908	1.2
562.25604	0.9
573.24921	1.5
577.28510	3.1
590.25024	0.7
592.26929	1.1
605.27521	16.9
606.27899	1.3
626.34680	0.5
637.30121	100.0
638.30627	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.2859
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01620	0.2
55.01863	2.0
56.05007	0.2
67.05455	0.2
69.03412	0.2
69.07059	1.4
70.06581	3.3
72.08132	0.4
73.02899	0.4
76.13960	0.1
79.05474	0.1
84.04498	0.3
84.08138	0.7
85.02901	0.3
86.06010	0.1
86.09686	1.0
93.07032	0.2
94.06530	0.4
95.04926	0.2
96.04471	0.2
97.06504	0.3
101.07069	0.1
102.05511	0.1
107.04932	0.2
108.04459	0.4
108.08076	0.2
110.05933	0.1
110.07160	0.2
112.07597	0.3
113.22894	0.1
120.08131	0.8
122.06015	0.6
123.04395	0.5
129.06911	0.2
129.10231	0.3
132.08112	0.1
136.07594	0.9
137.05933	0.3
140.07051	2.4
146.05988	0.2
148.07547	2.9
149.09636	0.2
150.05489	0.2
157.10194	0.1
158.09578	0.2
160.07574	0.2
164.07042	0.2
168.06531	3.0
170.09648	0.2
173.07076	0.2
174.05444	0.7
174.09145	0.3
175.08656	0.2
175.09970	0.2
187.08745	0.2
188.06960	0.2
198.09201	0.7
198.11082	0.1
198.12935	0.2
199.08627	2.8
199.12231	0.2
200.09244	0.3
201.10196	0.2
203.09390	0.2
209.08263	0.2
210.09145	0.5
211.08305	0.1
211.10124	0.2
211.12225	0.1
212.09155	0.2
212.10982	0.2
213.10208	0.9
214.10985	0.5
215.11800	1.1
216.10240	0.2
224.10640	0.4
225.10165	2.9
226.08730	0.8
226.10602	0.2
226.12450	0.2
227.08194	1.5
227.11711	2.6
228.12364	0.2
229.09660	0.3
229.13356	0.2
237.10275	0.1
238.08615	0.2
240.08945	0.2
241.09682	0.5
241.13342	0.8
242.10472	0.7
243.11221	1.3
251.11856	0.2
252.10106	0.6
254.11632	0.2
255.11241	13.0
256.11606	0.4
259.14371	0.2
269.12805	4.3
270.11102	0.3
271.14175	0.2
273.12247	0.2
281.12827	0.2
285.12128	0.2
287.13818	1.3
297.12271	5.3
299.13846	0.9
303.04990	0.7
303.13351	0.2
305.14914	1.4
315.13321	100.0
316.09964	0.2
316.13721	3.6
317.14929	0.7
471.94379	0.1
601.25836	0.3
619.27661	1.2
637.27399	0.2
638.25574	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.2642
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01849	1.3
55.05493	3.0
55.68609	1.2
57.03424	1.3
57.07077	1.5
66.55325	1.2
67.05501	8.4
69.07052	6.0
71.60918	1.9
79.05473	6.0
79.43447	1.1
81.07045	10.9
83.08600	3.2
85.06493	1.5
91.05453	5.5
93.07024	4.5
94.06507	1.5
95.08591	8.0
97.10129	1.5
102.51894	1.1
105.07013	4.2
107.08556	2.3
109.10159	2.7
118.06519	1.8
119.08532	4.4
120.08080	1.2
123.11692	1.8
129.07030	1.4
131.08571	1.5
131.44185	1.1
133.10104	3.1
135.11639	1.5
145.10071	2.2
147.11679	2.1
162.05382	1.6
167.07268	1.4
181.07523	1.5
193.07533	2.2
194.08333	2.1
195.09120	5.4
196.09875	2.6
197.10686	2.7
207.09167	3.9
208.07817	1.3
208.09898	5.5
209.10609	6.0
210.11423	6.8
211.12277	2.6
212.13100	1.8
221.07065	2.6
222.07703	1.4
222.11542	1.5
223.08575	7.3
223.12230	5.8
224.09413	16.1
224.12952	2.4
225.10135	5.2
225.13716	9.9
226.14616	1.3
227.15402	1.6
235.08578	4.3
236.09366	4.1
237.10155	3.4
238.10898	3.2
239.08041	2.4
251.08096	4.9
251.11745	5.6
252.08922	2.1
253.13306	21.5
255.11273	4.4
256.11981	3.7
263.08069	4.0
264.08914	4.6
265.09634	1.5
266.10416	1.5
269.09326	1.6
269.12732	2.1
271.14282	2.2
279.08423	1.3
279.11096	7.1
280.08255	1.5
281.09317	2.6
281.12741	2.7
283.10599	1.4
291.07672	7.9
293.09143	2.1
295.07056	2.3
297.12283	4.8
307.10199	1.4
309.24149	3.7
310.09433	4.1
310.24414	1.6
311.10004	2.0
313.27203	2.2
319.06992	1.4
321.20563	1.4
325.11807	5.6
335.25565	1.5
337.27237	3.0
349.23318	1.5
351.09674	23.4
369.10739	30.4
457.19891	1.4
470.16483	1.6
471.17850	1.5
503.20740	2.0
503.36798	1.9
517.22107	5.1
545.21808	1.5
573.21002	2.9
577.24353	30.8
605.23810	100.0
606.24060	3.4
623.24567	1.9
637.26373	29.8
637.40778	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	637.2646
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22364	1.1
51.52847	1.1
53.16842	1.1
55.05509	1.2
56.27488	1.1
57.07066	1.3
63.56918	1.0
67.05474	1.4
69.98711	3.7
79.05476	1.6
81.88363	1.1
83.04969	1.2
86.54557	1.2
91.05497	1.8
93.07026	1.8
97.36769	1.1
99.58189	1.3
105.07021	1.7
107.08624	1.8
111.04359	1.4
163.11153	1.2
181.12180	5.3
375.17297	1.4
387.98856	1.1
391.19644	2.8
393.20590	2.9
399.15933	1.5
400.16858	1.8
401.17697	2.8
405.21149	1.4
407.22369	4.2
413.17310	2.2
414.18445	2.4
415.19196	5.5
419.18393	1.7
421.20352	2.3
429.21002	4.1
430.21768	1.5
435.21918	3.8
442.17984	2.4
443.22864	2.0
444.18781	2.5
445.19986	2.8
447.17886	2.4
457.20514	3.4
458.21298	2.4
462.20560	1.4
463.21130	2.6
471.21588	3.7
472.22458	3.8
472.29501	1.2
473.19354	2.5
474.21121	1.5
485.19592	1.9
486.20560	4.5
487.21429	2.4
489.19751	1.4
489.22864	1.6
490.20053	4.1
491.20474	2.3
499.21313	6.4
500.22247	2.9
513.19135	4.7
516.21558	1.6
517.22443	7.7
521.25073	2.6
527.20770	1.8
531.24316	9.0
549.24774	8.2
559.23389	44.4
560.23358	2.6
577.24725	3.3
587.22949	10.0
591.25641	2.9
605.24023	3.8
609.27435	1.8
619.25439	50.9
620.25238	2.3
637.26471	100.0
638.26453	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	637.2643
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70342	0.3
69.06956	0.3
69.66341	2.1
81.06960	0.9
93.06892	0.3
94.22710	0.4
95.08505	0.4
107.08559	0.3
109.10052	0.4
117.19454	0.3
119.08485	0.4
162.53876	0.4
207.73860	0.4
221.10822	0.4
247.12193	0.4
339.35318	0.3
361.15662	0.4
362.15820	0.4
363.16083	0.5
364.98984	0.3
372.14584	0.5
374.16071	0.9
376.17389	0.4
377.17313	0.9
378.18011	1.0
385.14606	0.5
386.15408	0.8
387.16177	1.3
388.17328	0.5
389.17950	0.4
390.19006	0.6
391.19211	1.6
392.19772	1.0
393.20648	2.5
396.14099	0.3
397.15323	0.5
398.15646	0.5
399.16226	1.8
399.72186	0.3
400.16888	2.1
401.17621	3.3
402.18280	1.0
403.19189	0.7
405.21045	0.8
406.21530	0.7
407.22168	2.8
408.22678	0.5
411.16287	0.6
412.17203	0.6
413.13821	0.3
413.17630	2.7
414.18539	4.2
415.19278	8.1
416.20477	1.6
417.20593	1.4
418.17963	0.5
419.18103	0.5
419.22723	0.6
421.20087	2.6
424.17123	0.4
425.17587	1.6
427.14600	0.7
427.19104	1.4
428.20468	2.6
429.20978	8.6
430.21875	2.3
431.18430	0.8
435.21429	1.8
436.22675	0.4
438.18250	0.4
439.19040	1.1
441.16809	1.9
442.17358	1.6
443.18073	3.4
443.22415	4.5
444.18604	4.3
445.20383	1.9
446.20786	0.5
447.17880	0.9
455.18726	0.9
456.19177	1.4
457.20425	5.2
458.20990	3.3
459.17267	0.7
461.19815	0.6
462.20215	0.4
469.16531	1.0
470.17020	0.5
471.22287	5.9
472.23013	4.4
473.19489	4.9
474.20148	1.1
475.21710	0.6
484.18933	1.3
485.19702	2.8
486.20410	5.7
487.21307	2.7
488.21768	0.8
489.22443	1.4
490.19647	2.5
491.20883	0.5
499.21210	9.9
500.22815	2.4
501.23566	0.7
502.19876	0.7
503.24683	4.4
504.21939	0.4
507.22961	0.4
513.18994	1.4
514.19592	0.9
516.21594	1.3
517.22125	3.2
518.22980	0.7
521.25470	0.6
522.25922	0.4
527.20709	2.6
528.21539	1.1
530.22949	0.5
531.23877	13.1
543.23743	1.4
544.20880	0.8
545.21832	0.8
549.25201	1.6
550.25629	0.5
559.23291	80.3
560.23383	2.5
577.24072	0.5
578.24731	0.9
587.22754	12.6
588.23254	0.7
591.26221	0.4
605.23914	0.5
619.25360	100.0
620.25665	3.6
637.26447	16.6
638.26892	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	636.3159
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.8
53.19176	0.6
55.05503	35.9
57.90533	0.7
67.05483	0.8
69.07069	0.9
69.29202	8.8
72.14935	0.7
81.64512	0.7
83.04971	100.0
91.05478	1.1
94.04196	0.8
95.08563	0.7
108.58530	0.7
115.05481	0.8
122.03630	2.1
129.76735	0.7
131.04941	1.0
137.05963	56.5
145.06487	2.9
147.08046	1.3
160.05124	3.6
161.05974	1.5
172.05159	4.6
173.02336	1.6
173.05959	1.1
175.07571	3.4
185.05989	4.7
187.07639	0.8
188.04659	29.2
193.03699	0.7
203.07010	74.3
204.07465	1.6
206.05768	0.8
231.06493	67.6
232.06870	1.5
249.07553	6.6
306.20654	3.5
331.11719	22.2
331.15625	1.3
474.98172	0.8
597.05231	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.2641
Annotation	CHEMBL412737
Peak:m/z	Relative Intensity
65.05671	0.4
65.12177	0.6
65.76117	0.5
67.05468	0.8
69.07051	0.6
71.57950	0.8
72.72808	0.4
79.05473	0.6
81.07031	0.5
105.07047	0.5
107.08540	0.5
121.10121	0.7
191.21080	0.5
214.35840	0.6
249.09827	0.5
259.41196	0.5
259.54419	0.5
388.16711	0.7
389.17615	1.5
401.17636	0.8
402.18536	1.3
403.19382	1.6
404.19785	0.7
405.20682	1.2
415.15176	0.9
416.15906	0.9
417.16776	1.5
417.21191	1.2
419.22577	2.6
429.16641	1.0
430.18051	0.7
431.18127	2.6
432.19699	0.9
435.18488	0.6
445.20200	5.1
446.20987	1.6
447.21793	2.2
449.19815	0.9
457.16501	1.0
459.21707	0.8
461.15298	1.2
462.16202	0.6
463.21558	2.7
475.16782	2.3
476.18121	1.2
477.19168	2.1
489.18747	2.8
490.19843	7.6
491.20697	10.0
492.21100	0.9
503.20615	3.9
504.21448	1.1
517.22333	2.0
522.21692	0.6
533.25366	7.3
535.19342	0.7
545.21558	0.7
549.22577	1.6
577.24341	26.3
578.24902	1.9
593.27472	1.4
596.25128	0.6
605.24115	1.4
619.25513	0.8
637.26434	100.0
638.26605	5.3
653.72546	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.2703
Annotation	Azadirachtin M
Peak:m/z	Relative Intensity
53.03910	1.0
55.01865	1.1
55.05474	0.6
65.03915	0.7
67.05455	1.9
69.03381	0.7
69.07018	1.9
70.06580	7.1
71.04955	0.8
71.14909	1.7
72.08140	3.0
79.05450	1.4
81.06994	1.3
82.06548	1.1
84.04469	1.8
84.08130	3.8
85.02856	1.6
86.09699	4.7
91.05470	2.8
93.05685	0.6
93.06995	1.6
94.06539	3.6
94.77586	0.5
95.04927	1.9
95.08569	0.7
96.04462	0.7
96.08080	1.0
97.02865	3.5
97.06525	0.6
102.05502	0.6
105.06975	0.5
106.06524	2.8
108.04446	1.0
108.08099	7.6
109.06419	0.8
110.05979	0.6
110.09631	0.6
115.05415	0.9
117.05709	2.5
118.06535	5.1
119.07337	0.7
120.08079	4.4
122.06025	5.5
123.06745	1.8
124.06693	1.0
124.07567	17.1
126.05457	0.9
129.10201	2.1
130.06487	0.6
131.07285	1.2
132.08096	4.6
134.05948	1.7
136.07553	56.2
137.05940	1.4
137.07878	0.7
138.09114	0.7
140.07005	0.8
145.07642	0.6
146.05946	4.2
146.08357	0.8
146.09544	1.3
147.06697	0.6
147.09148	0.7
148.07526	2.7
150.05528	0.9
152.07027	3.5
153.06894	0.6
156.07967	0.7
158.09583	1.2
159.09113	2.2
160.06212	0.9
160.07555	21.1
161.07016	1.6
162.05469	3.4
164.07034	28.4
167.07242	1.6
168.06558	0.7
168.07997	1.1
169.07562	1.5
169.08830	1.3
170.08272	2.5
170.09647	0.7
171.09108	0.7
172.07457	0.9
172.11211	0.8
173.07106	1.2
173.10684	2.5
174.07822	0.8
174.09190	1.0
180.07893	1.1
181.07317	0.6
181.08829	8.9
182.08145	1.1
182.09593	5.2
183.09090	4.6
184.07523	0.7
184.09895	12.2
184.11179	1.0
185.10614	1.7
186.12836	0.8
187.08626	8.9
187.12234	0.8
188.09378	2.4
189.06468	2.6
189.10213	0.9
194.08083	0.7
195.09038	0.7
196.11200	9.6
197.10637	7.3
198.09241	1.2
198.11407	9.5
199.08580	1.8
199.12274	21.8
200.09178	0.6
201.10185	6.0
202.08623	0.8
203.08241	1.3
206.08224	0.7
207.09088	0.6
209.08241	1.8
211.08615	5.5
211.12236	1.7
212.09340	4.0
212.10771	3.0
212.12881	1.2
213.06892	0.6
213.10246	6.1
213.13802	9.7
214.07257	0.7
214.12373	1.2
215.08170	4.5
215.11816	3.9
217.09676	1.5
219.11292	2.6
223.12277	3.1
224.10706	16.6
225.10147	10.6
226.08766	0.7
226.10898	9.9
227.08212	2.7
227.11723	12.7
228.08670	0.9
228.12262	0.7
229.09669	6.1
229.13216	2.8
237.10062	0.7
239.08055	2.0
239.11755	3.6
240.08731	1.4
240.12489	5.8
241.09685	3.0
241.13309	26.9
242.13840	1.0
243.07631	0.7
243.11224	2.8
244.11700	0.6
245.09122	1.3
245.12895	0.8
251.11760	3.6
253.09741	2.9
254.10432	4.3
255.11162	4.6
256.11786	2.0
257.09204	3.1
257.12793	3.8
259.10568	0.9
259.14435	3.2
267.11249	4.2
269.12802	70.5
270.13147	0.8
271.10678	2.5
273.12585	0.7
275.13882	2.6
279.11227	1.0
283.10751	0.8
284.11462	0.7
285.12302	11.5
287.13837	100.0
288.14087	1.8
295.10724	1.9
297.12265	7.6
301.11899	0.7
303.13321	35.1
304.13550	1.2
305.14828	3.5
306.12277	0.6
308.13852	1.2
309.14810	1.1
313.11731	9.9
314.12396	0.6
315.13339	31.8
316.13696	0.7
322.11850	2.8
322.15128	0.7
331.12805	41.0
332.13196	1.0
333.14355	2.2
373.17575	2.2
392.16473	0.7
409.16315	3.8
410.17209	1.0
422.17047	1.0
448.18564	0.8
454.19788	0.8
541.20490	4.4
571.25330	1.6
572.22772	1.7
575.24884	0.7
589.26367	2.1
590.24347	0.7
591.27124	0.6
599.24988	5.5
617.25909	51.2
618.25977	2.0
635.26892	22.1
636.27307	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	634.4671
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30968	2.1
53.03926	5.3
55.01856	6.5
55.05263	3.1
55.05507	46.9
57.03428	16.3
57.07070	5.1
58.03742	2.2
60.27693	2.6
65.03934	4.5
67.05499	83.5
69.03424	3.6
69.07061	31.8
70.21245	10.6
71.04975	5.5
77.03951	2.0
79.05483	100.0
81.07049	92.1
83.04965	7.9
83.08606	24.4
85.06501	4.0
91.05470	66.6
93.07033	92.0
95.04981	13.3
95.08594	40.6
97.06534	6.5
97.10158	43.0
98.21406	3.3
99.08066	7.2
105.07024	51.2
107.04938	4.3
107.08581	59.1
109.06487	6.6
109.10143	28.4
111.08077	5.1
111.30160	2.4
112.46469	2.3
117.06997	16.4
119.08568	38.2
119.80876	2.6
121.10123	45.9
123.11695	10.3
125.09626	28.6
129.06973	10.8
131.08569	24.4
133.10098	36.5
135.08022	6.7
135.11670	30.2
137.09589	3.0
139.11192	3.7
143.08525	10.4
145.10110	29.5
147.11668	26.3
149.09636	7.2
149.13254	9.0
151.11185	2.6
157.10069	8.6
159.11661	18.5
161.13271	6.9
163.95457	2.3
165.08972	2.3
165.12758	2.9
169.10109	5.4
171.11674	8.2
173.13281	8.1
183.11748	4.4
185.13197	8.0
187.14784	4.4
189.11159	19.7
189.16353	2.9
197.13310	2.7
199.15016	2.8
203.14377	4.8
203.17896	4.7
211.14969	3.3
213.16380	6.8
215.17984	15.1
219.17252	5.6
220.20728	2.6
227.12747	46.4
231.17447	7.4
233.18968	10.1
239.17822	2.8
245.13805	3.1
247.20557	2.6
257.18994	7.7
259.20523	5.1
267.15939	7.7
275.19989	32.2
305.21030	4.1
307.22638	88.3
331.22482	3.0
333.24084	6.6
349.23734	35.2
351.25620	4.5
459.31131	2.8
462.42752	8.9
477.32028	22.0
489.37720	2.7
563.41229	3.7
581.41974	59.0
582.42181	4.5
599.42688	6.8
634.44562	3.4
635.28851	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	635.2703
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79163	0.4
53.03913	0.6
55.01847	1.0
55.05480	0.5
56.04992	0.7
57.77607	0.4
65.03910	0.9
67.05464	1.8
68.05006	0.9
68.69672	0.4
69.03383	1.4
69.07039	1.3
69.47639	3.6
69.48048	0.8
70.06579	8.9
71.04959	0.5
71.06879	0.7
71.38532	0.5
72.08101	2.0
74.05991	0.5
79.05454	1.2
80.04975	0.8
81.03374	0.8
81.06999	1.2
82.06553	0.8
84.04456	1.6
84.08134	4.3
85.02859	1.3
86.09699	3.5
89.06033	0.5
91.05446	2.5
93.05745	1.2
93.06996	1.6
94.06552	5.0
95.04927	1.1
95.08567	0.6
96.08082	1.5
97.02885	3.9
103.05383	0.6
105.06950	0.9
106.06521	2.3
107.04928	2.5
108.04446	1.0
108.08113	6.7
109.02823	0.8
109.06483	1.0
110.07137	0.9
112.07568	0.7
115.05369	0.5
115.08641	0.5
117.05740	2.5
118.06524	4.8
119.04899	0.8
119.07291	1.6
119.08547	0.6
120.08076	4.2
121.06422	0.5
122.06010	12.6
123.06790	0.7
124.07575	14.0
126.05473	0.5
127.03889	0.6
129.10161	1.4
130.06479	1.0
131.07332	0.7
132.08064	5.1
134.05934	0.9
135.06712	0.5
136.07556	53.6
137.05917	1.0
138.06442	0.8
138.09131	0.8
140.06068	0.8
140.07042	10.0
144.08008	0.8
146.05988	5.0
146.08357	1.2
146.09453	1.1
147.06709	1.4
147.09065	0.6
147.11652	0.7
148.07549	11.4
150.05482	1.1
152.07098	3.1
156.08054	0.6
157.08887	0.6
158.08324	0.6
158.09557	1.3
159.09113	1.8
160.07556	18.4
161.07021	0.9
162.05432	2.1
164.07042	32.3
165.06995	0.5
165.12610	0.6
166.08589	1.0
167.07220	1.5
167.61406	0.6
168.06534	0.6
168.08040	1.2
169.07536	1.1
169.08838	0.9
170.08270	2.6
170.09592	1.0
171.09084	1.2
172.11174	1.0
173.07065	0.7
173.10651	2.0
174.05473	1.3
174.09045	1.3
177.05458	0.6
180.08034	1.0
181.08832	7.9
182.08076	4.1
182.09598	4.8
183.09084	4.9
183.10426	0.9
184.07489	0.8
184.09901	10.9
184.11342	1.1
185.10667	1.3
187.08649	7.1
187.12228	0.7
188.06859	0.5
188.09337	2.0
189.06512	1.7
189.10187	0.9
190.04892	1.4
194.08084	0.7
195.09000	0.7
196.11208	9.0
197.10667	6.5
198.07661	0.9
198.09352	0.9
198.11440	7.8
198.13039	0.8
199.08548	1.7
199.12267	22.5
200.09183	0.7
201.10240	6.2
202.08586	1.3
203.08125	1.3
207.13718	0.9
209.08401	0.9
211.08614	6.4
211.12227	1.6
212.09364	3.7
212.10843	2.0
212.13052	1.4
213.10201	5.1
213.13795	9.2
214.10728	1.0
215.08125	2.2
215.11766	2.6
215.27162	0.5
217.09698	2.0
219.11299	2.5
223.12285	3.0
224.10698	14.7
225.10133	11.6
226.08665	0.7
226.10938	9.7
227.08075	2.1
227.11719	10.1
228.08653	0.8
228.12430	0.5
229.09732	3.6
229.13361	1.7
239.07994	1.7
239.11774	3.2
240.08900	1.6
240.12515	4.9
241.09760	3.5
241.13321	24.6
243.11220	2.6
244.12018	1.0
245.09071	1.4
247.14323	0.5
251.11897	2.3
252.10110	0.8
253.09627	1.8
254.10414	3.5
255.11255	4.4
256.11743	2.7
257.09232	1.9
257.12732	3.9
259.14386	3.0
267.11264	3.2
269.12805	66.9
270.13196	1.1
271.10693	2.7
273.12238	1.0
275.13861	2.2
279.11063	0.8
285.12283	10.6
287.13852	100.0
288.14224	1.5
293.12241	0.6
295.10669	1.2
297.12311	6.9
303.13351	30.2
305.14966	3.2
308.13721	1.2
309.14587	1.2
313.11777	9.0
315.13324	31.0
322.11722	2.2
329.14737	1.1
331.12823	33.6
333.14526	1.8
336.13162	0.7
364.16708	0.7
373.17664	1.3
409.16269	2.8
410.16898	0.8
420.19592	0.6
422.17062	1.4
450.19772	0.7
456.20709	0.8
541.20764	4.7
555.66119	0.5
571.25629	1.0
572.22662	1.5
589.26318	1.7
590.24469	0.7
591.27783	1.4
599.24866	5.9
617.25946	43.7
618.26697	1.3
634.78632	0.9
635.26898	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	634.4667
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	7.9
55.01854	5.4
55.05262	1.8
55.05502	27.1
57.03427	30.9
57.07066	2.6
59.85843	1.2
65.03920	4.9
67.05495	100.0
68.00491	1.3
69.03410	3.0
69.07059	36.1
69.43697	6.6
69.44139	7.2
71.04964	5.2
73.06519	1.5
77.03877	1.8
79.05480	95.5
81.03399	3.9
81.07045	90.7
83.04969	7.5
83.08610	11.8
85.06525	7.4
91.05468	82.5
93.07030	88.5
94.38000	1.4
95.04963	14.3
95.08589	63.9
97.06515	12.9
97.10149	3.6
98.21494	3.3
99.08086	8.5
103.05467	2.0
105.04485	2.3
105.07018	53.8
107.04933	5.2
107.08576	39.8
109.06511	8.3
109.10135	24.0
111.08076	7.2
113.06030	2.1
113.09566	2.2
115.05441	5.4
116.06218	2.2
117.06992	42.4
118.07762	1.6
119.08559	44.4
121.06477	4.5
121.10123	36.4
123.08019	3.9
123.11684	8.5
124.28211	1.6
125.09635	3.6
128.06215	3.4
129.05443	5.3
129.06987	28.4
130.07755	4.1
131.08551	50.1
133.06403	1.8
133.09091	2.1
133.10109	39.5
135.08044	12.0
135.11662	24.2
137.09583	7.1
137.13206	1.8
139.11119	1.6
141.06967	9.0
142.07709	4.0
143.07019	1.4
143.07393	1.9
143.08496	14.8
145.06465	2.4
145.10094	64.1
147.07988	4.1
147.11674	27.1
147.22430	1.5
149.09618	13.5
149.13237	12.7
151.07468	1.6
151.11159	3.5
154.07686	1.8
155.08522	9.9
157.10107	34.0
159.08028	3.3
159.10428	2.0
159.11673	23.0
161.09610	3.7
161.13240	7.5
163.11182	11.4
163.14850	1.9
165.12697	2.1
167.08548	3.6
169.10103	17.2
171.11673	14.6
173.09610	4.9
173.13220	20.1
175.11171	26.1
175.14801	3.0
177.12735	4.3
182.10880	2.2
183.11673	9.2
185.13194	11.7
187.11142	6.4
187.14803	17.0
189.12677	3.4
191.14238	4.3
195.11734	1.5
195.13802	2.0
196.12393	2.2
197.13251	2.1
199.09618	5.3
199.14795	4.3
201.12697	2.8
201.16351	16.6
203.18066	1.9
205.15765	1.7
211.14807	29.8
213.16348	6.8
215.17961	8.3
219.17429	2.4
227.14326	1.7
229.15848	69.4
230.16139	1.8
231.17374	3.9
233.19038	4.6
239.12766	3.6
239.17960	2.0
243.21159	2.2
247.16891	23.6
249.18587	1.9
255.15799	4.7
257.18951	4.1
259.20465	2.3
261.22134	5.3
269.17398	10.7
275.20010	11.9
281.17331	2.3
293.40961	1.5
303.19479	5.5
307.22641	49.3
309.20627	2.2
321.20529	22.8
323.22122	2.1
333.24081	2.9
335.25772	80.9
336.25870	2.5
349.23831	8.2
367.24765	2.3
487.34201	10.5
489.37320	2.9
501.35620	33.1
541.38721	6.2
544.57776	1.5
563.40509	2.3
581.41931	32.0
582.42273	1.7
599.42505	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	634.4665
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	5.1
55.01851	3.4
55.05261	1.8
55.05505	29.8
57.03426	22.9
57.07050	2.3
65.03919	5.5
67.05493	83.8
67.39269	1.2
67.42937	1.1
69.07056	26.1
71.04974	5.6
71.24280	3.0
71.94624	1.2
76.51263	1.2
79.05478	90.9
80.05808	1.4
81.03401	1.6
81.07041	75.9
83.04949	5.0
83.08588	12.8
85.06509	6.0
91.05463	64.8
91.05894	0.9
93.07028	94.2
95.04945	12.3
95.08592	59.4
95.09062	0.8
97.06496	7.6
97.10130	7.0
99.08063	6.4
101.66010	1.3
103.05434	1.4
105.04546	1.6
105.07011	56.1
107.04929	5.3
107.08571	33.8
109.06492	9.9
109.10129	25.0
111.08053	3.1
113.05975	1.5
113.09628	2.0
115.05428	2.4
117.06999	27.1
119.08562	43.7
121.06458	3.6
121.10126	42.0
123.08052	3.7
123.11662	7.8
125.09602	6.0
128.06187	2.4
129.05467	2.0
129.06985	12.4
131.08545	31.4
133.06494	1.5
133.10109	25.4
135.08047	6.3
135.11681	16.2
137.09578	5.7
139.11162	1.7
141.06970	5.3
143.08521	10.8
145.09019	2.5
145.10097	33.3
147.07996	2.8
147.11653	21.9
149.09599	8.7
149.13225	9.9
151.11142	2.3
155.08539	4.3
157.10107	14.3
159.11665	22.4
161.09561	2.0
161.13252	8.6
163.11113	6.4
165.12727	2.4
167.08504	1.6
168.09308	1.4
169.10094	4.9
171.10371	1.4
171.11676	8.5
173.09608	1.5
173.13200	13.7
175.11182	7.0
175.14775	2.7
177.12770	2.5
183.11664	5.6
185.13213	15.6
187.11136	2.3
187.14841	3.5
189.11084	2.4
189.12691	2.0
191.14249	1.7
197.13246	5.9
199.14757	2.3
201.12730	2.0
201.16327	3.5
203.14268	6.5
205.15857	2.2
209.13374	1.3
211.14764	5.5
213.16368	2.9
215.17860	6.4
219.17444	5.4
223.14745	1.5
227.12744	7.7
229.15964	6.3
229.19400	2.3
231.17390	3.9
233.18941	4.8
239.12743	8.9
239.18008	6.5
247.16940	8.0
247.20459	2.5
257.19025	13.7
267.15851	2.6
275.20013	31.4
289.21661	2.1
293.21115	1.9
303.19424	1.4
305.21054	3.6
307.22614	100.0
308.22842	2.3
321.20560	6.8
331.22574	5.3
334.94464	1.4
335.25739	14.2
349.23621	25.2
351.25537	1.5
357.00851	1.5
377.26764	1.4
461.32181	6.2
477.32016	2.5
487.34363	3.9
501.35706	4.3
511.38556	1.4
517.34882	3.8
518.38165	2.1
527.37384	1.9
541.38550	5.1
581.41968	39.2
599.43024	5.1
599.76886	1.3
606.17676	1.4
616.44910	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.4345
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.2
55.05500	8.6
56.04760	1.0
57.07054	2.2
59.04987	1.5
62.38675	1.0
67.05495	21.6
67.05843	0.8
69.03420	7.4
69.07054	12.1
71.04974	3.2
71.08625	1.5
71.64123	2.0
79.05473	6.9
79.83693	1.0
81.03407	2.0
81.07047	19.2
83.04962	8.9
83.08603	6.7
85.06519	2.9
91.05460	4.5
93.07041	11.5
95.04974	2.1
95.08595	31.6
97.06527	2.2
97.10176	2.9
99.04435	1.1
99.08075	3.8
105.07019	7.3
107.08576	20.6
109.06499	8.8
109.10139	86.3
110.10468	1.5
111.08076	3.1
113.09686	2.0
119.08562	32.0
121.10123	11.3
123.08049	10.2
123.11700	8.4
125.09605	1.1
127.03905	1.4
127.11212	1.2
131.08537	2.2
131.54791	1.1
133.10123	21.1
135.11671	78.3
137.09584	13.1
139.11200	3.3
145.10097	1.5
147.11679	3.2
149.13252	6.4
151.11185	8.3
151.14772	12.1
153.12669	2.7
157.10083	1.4
165.16374	3.1
171.11685	1.2
173.13174	1.2
175.14809	31.9
189.12730	1.0
190.53059	1.1
193.15849	44.8
194.16330	1.1
211.16891	100.0
212.17229	1.5
234.01538	1.1
246.37149	1.2
255.37033	1.2
261.22113	1.6
287.20447	1.2
369.24149	1.6
462.83209	1.1
476.44507	2.9
490.45541	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.2905
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05492	4.0
69.06711	1.0
69.07059	15.9
70.06557	1.0
71.62654	0.8
71.63036	0.7
75.90313	0.6
79.05466	1.0
81.07036	0.8
86.09729	0.7
91.05486	1.1
94.06559	4.8
95.04930	0.9
95.08578	1.2
97.02815	0.6
97.06522	0.9
100.19492	0.5
107.04957	0.8
108.08112	4.3
114.78454	0.6
120.08065	1.9
122.06015	12.3
124.07561	1.4
134.06026	2.5
134.09598	0.7
136.07555	8.9
138.05498	2.0
138.09106	1.0
140.07045	25.2
146.05991	2.5
146.09621	1.0
148.07532	3.8
150.09135	2.0
152.07042	5.9
154.06584	0.7
160.07501	0.6
162.05530	0.8
162.09070	1.3
164.07031	6.5
165.07852	0.8
166.08607	5.7
172.03929	1.4
173.07077	0.7
174.05492	2.1
174.09137	1.0
174.74588	0.6
176.07085	2.4
190.05075	1.1
192.06613	0.9
192.10196	1.5
194.08116	0.8
196.11287	0.7
204.06514	1.0
206.08105	1.8
209.10712	1.1
210.11411	1.5
211.08566	1.5
211.12282	1.7
212.09355	0.8
213.10194	1.1
221.10696	1.3
222.09552	0.9
222.11575	2.4
223.08591	3.9
223.12280	2.3
224.09280	1.2
224.13026	0.8
225.10199	13.3
225.13770	1.3
226.10913	1.2
226.14566	0.8
227.08179	1.9
227.11758	3.0
235.08752	2.1
235.12277	1.3
236.09317	2.1
236.13033	1.6
237.10205	6.6
237.13820	2.7
238.10884	7.2
238.14603	0.7
239.11736	11.6
239.15535	0.8
240.12442	3.8
241.09766	1.3
241.13234	1.0
243.11334	1.5
247.12309	1.5
248.09166	3.1
248.13036	0.8
249.10185	6.6
250.10925	9.6
251.08060	4.4
251.11765	19.8
252.08926	2.5
252.12556	5.5
253.09691	3.8
253.13319	5.6
254.10323	0.8
255.11363	1.7
255.14957	0.9
259.10724	1.1
261.12415	1.9
262.11032	0.8
262.97089	0.6
263.11774	14.2
263.14438	1.1
264.08972	1.5
264.12558	10.5
265.09781	8.0
265.13354	26.6
266.10602	4.0
266.14008	4.3
267.11288	4.4
267.14917	2.8
268.09595	0.7
268.12079	1.9
269.09625	0.9
269.12833	2.2
271.10770	1.2
271.14377	2.4
275.11691	1.0
276.01462	0.7
276.10025	0.8
277.09726	3.0
277.13052	1.5
278.10556	3.4
279.11234	22.9
279.14291	1.3
280.12222	3.1
281.09558	1.3
281.12793	7.7
282.09995	0.7
282.13663	1.9
283.10803	7.6
283.13889	1.6
284.11591	1.6
285.12326	6.2
287.13950	3.1
289.15817	0.8
291.11398	4.8
291.14572	1.0
292.11996	2.1
293.12735	10.2
294.13577	4.0
295.10800	4.8
295.14429	4.7
296.11578	6.8
296.14954	1.1
297.12311	17.6
298.13202	4.3
299.13815	3.3
300.14743	1.2
303.13400	2.4
305.12778	1.4
307.14255	1.3
309.12308	32.8
310.13013	7.3
311.13843	40.0
312.14597	4.2
313.11765	2.9
313.15482	5.8
315.13321	1.0
319.10815	3.9
319.14200	1.2
320.11279	1.6
321.12265	8.3
322.13068	1.2
323.10449	0.9
323.13922	2.6
324.11029	4.4
324.14380	1.0
325.11829	4.3
326.12537	0.8
327.13419	2.5
331.12869	1.1
333.15604	0.9
334.15698	1.3
337.11765	27.4
338.12598	12.5
339.13342	40.4
340.13947	5.1
341.14917	2.5
344.13867	1.7
345.14380	1.3
346.15674	1.1
348.17239	1.5
355.12808	1.0
356.13461	0.8
357.14548	4.1
358.15524	1.4
360.17188	1.2
363.16986	0.9
364.16629	1.4
367.16296	1.0
369.14377	36.3
370.15189	3.4
370.52063	0.7
371.15985	50.3
372.16693	6.1
378.18130	1.2
379.16214	0.9
386.18375	1.5
387.15823	1.1
392.15845	1.1
398.18567	0.8
400.17007	1.3
406.17325	3.3
407.15741	1.8
407.19778	0.9
414.18060	2.9
416.14752	1.1
416.19717	10.0
419.18073	1.1
420.19281	3.0
424.18503	1.9
432.19150	9.6
434.20508	2.3
435.21304	2.2
436.22864	1.4
437.19412	2.1
438.20355	5.3
439.18878	1.1
442.17618	4.3
448.18665	1.4
450.20242	4.3
451.20490	1.0
452.21603	4.4
460.18625	56.8
461.19498	1.7
462.20218	18.3
464.18240	1.8
465.19064	1.5
466.19772	2.4
478.19614	15.1
479.20337	5.7
480.21246	100.0
481.21689	2.2
492.21252	49.0
493.21680	1.2
494.22662	1.9
510.22256	21.1
511.23016	11.8
512.23816	8.4
557.27228	2.3
571.25104	0.9
573.27240	1.4
583.25311	12.1
589.26550	2.0
601.26483	71.8
602.26727	1.9
633.28931	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	630.4777
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.3
55.05502	3.6
56.15258	0.4
57.07068	34.1
59.04995	0.8
60.01333	0.3
67.05508	1.7
69.03407	0.5
69.07053	2.0
71.08622	24.7
71.63436	0.6
73.06156	0.7
73.06544	9.7
74.06033	0.4
79.05483	0.9
81.03387	0.4
81.07041	1.5
83.08618	2.8
85.10170	21.1
87.04456	7.6
89.06019	100.0
90.06361	0.6
91.05472	0.8
91.07574	1.1
93.07044	1.6
95.04964	0.4
95.08610	1.5
97.06522	0.4
97.10161	4.4
99.11715	4.3
105.07016	1.2
107.07047	4.4
107.08586	1.3
107.42944	0.4
109.10166	0.7
111.11685	0.7
113.13274	1.7
114.79785	0.3
115.07594	0.4
117.09113	8.0
119.08593	1.3
121.06521	0.4
121.10117	0.9
130.08612	4.4
131.06129	0.3
131.07010	2.0
131.08546	0.7
133.08586	51.1
135.10153	1.1
135.11668	0.4
143.08572	0.4
145.10056	0.6
147.08054	0.4
149.09612	0.6
155.17897	4.1
157.10095	0.5
161.11742	2.5
165.09087	0.4
167.10617	0.6
175.09634	2.1
175.11050	0.5
177.11200	22.8
179.12740	0.4
199.20520	4.5
221.13704	4.9
221.15356	0.5
223.15300	0.6
239.14842	2.1
240.23183	1.6
243.23157	12.1
265.16425	0.9
283.17410	2.4
287.25775	8.2
309.19043	0.8
327.19977	1.8
353.21756	0.8
371.22626	1.2
393.32034	0.7
415.25125	1.2
459.27942	3.9
489.35056	0.7
525.39813	0.4
569.42511	0.7
612.39026	0.4
613.36108	0.5
613.45166	10.4
614.45276	0.5
630.48004	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	630.3264
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34571	0.5
53.03932	0.9
53.27232	0.5
55.05490	1.3
56.05029	0.8
59.04977	0.4
60.60037	0.4
62.05957	0.4
64.29361	0.4
66.88868	0.4
67.05499	1.1
69.03432	0.5
69.07046	1.2
70.06583	17.6
71.04974	1.1
71.06921	0.6
71.57622	0.7
72.08151	2.9
74.06066	0.7
79.05476	1.5
81.03403	0.6
81.07041	0.8
82.06561	7.7
83.04968	0.7
84.04490	1.1
84.08129	100.0
85.02887	1.4
86.06070	0.4
86.09685	4.0
91.05482	1.0
92.42554	0.5
93.07034	0.6
95.04955	1.2
95.08593	0.8
96.03176	0.5
97.02852	0.6
97.06516	37.0
98.09666	1.2
105.07014	0.7
107.04935	77.1
108.05251	0.5
109.06531	1.1
110.07150	0.7
120.08079	1.2
121.06477	0.9
127.03890	0.7
129.09097	21.0
129.10101	1.2
136.07584	0.9
137.05940	1.9
141.09105	1.4
149.05986	0.9
167.64700	0.4
169.06575	0.4
171.14868	0.5
179.04994	0.5
197.12866	1.8
203.10661	1.9
235.13332	1.4
246.14848	3.3
254.14984	0.5
271.15482	0.9
272.16409	4.0
273.12408	0.7
285.12396	0.7
304.19006	54.5
305.19345	1.4
310.99207	0.5
311.53882	0.5
408.20096	14.2
466.24695	0.6
598.30267	1.2
612.22516	0.6
615.93188	0.5
630.32635	83.1
631.33582	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	629.2714
Annotation	Resiniferatoxin
Peak:m/z	Relative Intensity
61.94380	0.5
67.05479	0.7
79.05442	0.6
87.04433	0.6
89.06020	1.5
93.59151	0.7
130.47156	0.6
133.08612	1.6
254.97629	0.8
343.91769	0.6
352.73468	0.7
542.53418	0.8
628.56879	2.5
629.27228	100.0
630.27863	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	629.4766
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	4.2
55.01855	3.5
55.05496	22.3
57.03413	9.6
57.07048	6.7
59.50291	2.2
67.05493	74.8
69.07060	27.3
71.04961	3.4
71.08617	45.1
71.57581	2.6
71.58006	4.3
79.05478	70.0
81.03389	5.8
81.06574	4.3
81.07038	72.2
83.04953	5.4
83.08595	16.5
85.06524	3.9
90.88580	2.3
91.05456	38.9
91.58311	2.5
93.07024	82.0
95.04934	10.6
95.08044	3.8
95.08595	49.8
97.06493	7.1
97.10125	4.7
99.08064	28.4
105.07015	30.9
107.04920	7.5
107.08575	39.5
109.06473	6.0
109.10162	16.2
111.08044	5.0
113.47138	2.3
117.07007	12.1
119.08540	27.6
121.10123	32.9
123.11668	2.8
131.08560	20.6
133.10071	19.3
135.11662	29.7
137.09630	4.1
141.09071	5.5
143.08507	5.4
145.10091	13.9
147.11638	9.1
149.09630	3.3
149.13223	11.7
151.11151	15.2
157.10117	4.8
159.11658	8.6
161.13239	16.1
163.11118	5.8
163.14784	7.0
169.10158	2.7
171.11636	7.3
173.13234	9.4
175.14787	5.4
179.14276	56.5
182.51129	2.4
183.11591	2.6
185.13264	3.8
187.14767	2.7
195.13939	2.8
197.13258	3.2
199.14674	2.7
235.16866	3.9
241.19417	3.8
243.21014	12.7
259.20554	4.6
261.22107	11.9
272.60040	2.6
277.21582	58.1
295.22562	6.4
317.24695	7.3
335.25708	55.1
336.25638	3.1
351.25256	46.1
434.73932	2.8
513.39264	5.7
515.36938	7.1
531.39990	3.6
543.53333	2.9
611.46606	100.0
612.46326	8.4
626.00964	2.6
629.29474	2.8
629.47205	27.1
629.56946	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	629.2595
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29758	0.5
50.61281	0.5
53.03948	0.4
55.01844	0.7
55.05509	0.9
57.03419	0.5
58.69401	0.4
61.02912	1.4
66.03429	1.2
67.05479	1.2
69.07047	0.6
69.60419	1.2
69.60827	3.0
70.06586	1.4
79.05474	1.8
80.04996	0.7
81.07024	1.1
82.06545	1.0
84.08128	0.9
85.02879	1.0
86.09715	0.8
91.03910	0.9
91.05455	2.4
92.05019	0.5
93.03389	2.9
93.05772	0.7
93.07024	2.9
94.06554	6.2
95.04955	1.1
95.07336	2.3
95.08589	0.7
96.08099	6.3
97.02867	0.8
97.06515	0.8
103.05436	0.7
105.07006	1.1
106.06527	1.7
107.07278	0.5
108.04453	2.0
108.08101	6.5
110.06039	0.5
110.09660	8.4
116.04916	1.0
117.05683	0.7
118.06511	1.6
119.08567	0.7
120.04460	3.2
120.08080	7.3
121.06452	0.6
121.10149	0.4
122.06004	5.3
124.07571	10.9
129.35748	0.4
131.08578	0.5
132.08099	0.6
133.10117	0.5
134.05989	4.0
136.07567	6.1
138.09117	10.9
144.04417	1.9
144.08006	0.6
145.04834	0.5
146.05978	88.6
148.07545	5.1
149.09555	0.5
150.09077	0.8
152.07101	2.2
158.05891	0.6
158.09540	0.6
159.09233	0.5
160.03932	0.9
160.07486	1.1
162.05467	1.3
164.07045	0.8
166.08611	10.2
167.07224	0.5
172.03911	4.9
172.07571	1.2
174.05457	0.7
176.07011	1.0
178.04932	0.5
182.09570	1.2
183.09161	0.5
184.09857	0.9
185.10677	0.9
186.09135	1.0
187.08591	0.7
190.04945	17.6
195.09131	1.1
196.09863	0.7
197.10669	1.9
198.09171	0.8
198.11444	0.5
199.08647	0.7
199.12242	2.8
209.10628	2.4
210.09364	0.6
210.11465	1.2
211.08589	4.1
211.12233	1.0
212.09377	1.8
213.10187	1.4
214.10741	0.5
221.10587	0.6
223.08658	1.1
223.12280	1.6
224.09393	1.4
225.10165	7.1
225.13814	1.0
226.10799	1.2
227.08279	0.7
227.11737	16.7
229.13266	0.8
231.17224	0.5
233.16536	0.4
235.08496	0.5
236.09454	0.7
237.10155	3.0
238.10895	2.1
239.11691	4.4
241.09630	0.6
241.13304	2.8
243.11212	0.9
245.12807	0.6
249.10233	0.8
250.10706	0.5
251.11671	3.2
252.08949	0.7
252.12425	0.7
253.09700	2.5
253.13324	4.7
255.11201	1.0
263.08289	0.5
263.11554	1.0
264.08871	0.7
265.09668	1.2
266.10345	0.5
267.11221	1.9
268.08450	0.6
269.12775	9.5
271.10764	4.0
271.14340	8.3
273.12308	3.2
277.09650	0.6
279.11240	2.1
281.09540	0.8
281.12833	3.4
282.10214	0.7
283.10730	4.0
284.11478	3.4
285.12210	7.3
286.13083	1.7
287.13840	32.5
288.14420	0.6
289.13147	0.9
295.10754	2.0
297.12292	9.5
299.13846	100.0
300.14243	1.4
301.12100	1.8
302.12799	1.3
311.13806	1.3
313.12491	1.4
314.12787	2.3
315.13739	2.6
316.10950	1.1
316.14316	4.8
317.15186	0.8
318.15891	1.0
321.12122	0.7
323.10266	2.9
325.11774	8.8
327.13651	0.9
328.10718	1.1
328.14456	1.7
329.11661	0.5
329.15417	1.3
330.12286	1.1
330.15897	6.7
331.13147	0.6
331.16724	6.1
339.13513	1.6
340.14453	1.1
341.11795	1.4
342.12326	4.5
342.15833	0.7
343.12909	4.9
344.13724	2.0
344.17694	1.8
346.18979	1.0
354.15839	1.2
355.13397	0.6
356.13831	3.2
357.14655	1.3
358.15390	6.4
359.15808	0.6
370.15393	1.9
371.16104	1.3
372.17044	5.0
373.17746	4.5
378.18036	8.3
382.12015	1.1
383.12631	1.0
384.13351	1.2
385.14542	0.9
386.14346	1.1
386.18420	1.5
390.18030	9.2
391.18857	0.6
398.14905	8.1
399.15714	10.9
400.16254	1.3
402.18027	2.4
404.15588	1.3
412.16553	0.7
414.18060	5.5
416.15878	7.1
417.16293	0.8
420.19125	11.8
428.15976	0.7
430.17767	0.7
432.19122	42.2
433.19467	0.8
440.15924	1.6
446.17099	4.8
448.18436	0.7
458.16983	12.1
459.17850	0.7
462.20599	0.7
476.17941	0.7
525.24976	1.2
539.26178	0.6
567.26056	4.1
569.23804	2.3
583.25220	1.0
585.26917	21.6
593.23718	2.3
611.24890	37.3
612.25092	1.3
629.30499	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.2586
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31514	0.3
55.05462	0.5
59.47163	0.3
62.16346	0.3
67.05438	1.2
69.07020	0.4
69.30661	3.3
74.07320	0.3
78.24236	0.3
79.05437	0.7
81.06989	0.9
89.05975	0.6
89.12933	0.3
91.05426	0.6
93.06976	1.2
95.08520	0.7
105.06954	0.5
107.08556	0.5
108.70060	0.3
109.10109	0.6
119.08523	0.8
121.10102	0.7
123.55498	0.3
131.08557	0.4
133.10081	0.5
135.11649	0.3
139.77646	0.3
146.06044	0.3
147.11658	0.3
191.14075	0.3
207.13759	0.5
313.27484	0.4
349.93866	0.3
410.13608	0.8
411.14380	1.2
412.15033	0.4
424.15289	1.4
425.16080	3.9
426.16678	2.2
427.17841	2.5
437.16006	1.0
438.11862	0.5
438.16772	1.4
439.17862	7.6
440.18469	6.5
441.19034	1.9
442.19904	1.1
452.13873	3.1
453.15347	23.7
454.15561	2.1
454.20084	2.5
455.20810	29.7
456.20981	3.1
465.15445	0.6
466.15778	2.6
467.16846	28.3
468.17508	7.8
469.17059	0.5
470.15723	0.7
471.16422	0.8
480.17404	0.4
481.18478	8.2
482.19052	41.5
483.19513	3.8
484.17282	0.6
485.17981	1.8
494.18100	1.1
495.20081	1.4
496.20569	0.7
499.19586	1.1
500.19995	1.3
508.19193	1.0
509.21689	1.4
510.21832	0.5
511.20105	0.5
512.20508	0.6
513.21814	1.4
514.21570	1.5
515.22247	0.3
523.21735	2.2
524.21155	1.1
525.22205	1.0
526.21857	1.1
528.23541	3.0
540.20111	0.5
541.25061	2.6
542.24268	0.5
553.21960	12.1
554.21295	1.8
569.23883	74.2
570.24109	5.9
572.22430	0.4
597.23236	1.7
600.22144	2.0
601.26489	2.6
614.23352	0.7
629.25714	100.0
630.26105	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	629.2369
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07486	0.1
51.02364	0.3
53.03936	1.1
55.01858	0.1
55.05505	0.1
62.78202	0.1
65.03934	0.2
67.05474	0.1
69.81615	0.2
69.82022	0.5
70.06564	0.2
77.03896	0.4
79.05464	0.2
81.03391	0.2
81.07051	0.2
86.09663	0.2
91.05465	5.8
93.07027	8.8
94.07380	0.1
95.04951	2.8
95.08552	0.1
98.21500	0.1
103.05450	6.1
105.04504	0.5
107.04948	0.7
119.04900	0.2
121.06483	100.0
122.06811	1.4
137.05984	0.5
151.07518	0.3
170.10912	0.1
177.05412	0.1
189.64388	0.1
237.09200	0.1
250.06294	0.2
255.10202	0.4
265.08582	0.5
269.11667	0.3
278.05661	0.1
292.07361	0.2
293.08032	1.0
297.11142	0.2
311.29346	0.1
325.10608	0.9
353.10162	2.3
371.11264	0.7
381.11627	0.1
489.18936	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	629.2231
Annotation	Chlorophyllide b
Peak:m/z	Relative Intensity
55.01686	0.4
56.28006	0.4
58.89152	0.3
67.05603	0.6
71.07777	1.0
71.67773	0.4
81.07116	0.5
81.20956	0.4
90.44255	0.4
97.29472	0.4
109.73774	0.4
157.10220	0.4
158.04005	0.4
230.16542	0.4
313.96225	0.4
369.13809	0.4
396.12286	1.7
397.12906	2.4
398.13837	1.5
399.14618	1.6
400.15524	1.0
409.13150	0.7
410.13647	3.5
411.14487	6.3
412.15283	5.7
413.15991	5.4
414.17087	0.5
423.14679	1.0
424.11349	1.5
424.16205	2.9
425.16235	17.4
426.16782	10.2
427.17612	3.3
428.18561	4.1
429.18964	1.1
437.16507	0.6
438.13254	3.7
438.18021	0.9
439.13544	22.3
440.13583	1.1
440.19046	8.9
441.19223	45.2
442.19632	4.6
451.13327	0.5
452.14120	3.8
453.15393	27.8
454.15665	7.2
455.16544	1.1
455.21652	0.8
456.18030	1.4
457.14542	0.8
459.20264	0.5
463.13852	0.8
465.15536	0.7
466.16803	1.2
467.17114	28.5
468.17841	24.5
469.18744	12.5
470.19287	1.2
471.16321	2.4
472.17340	1.4
478.16190	1.0
479.15698	0.5
480.15900	1.0
481.14502	11.0
482.14609	2.6
482.21854	0.6
483.16028	0.7
484.21725	4.7
485.17950	1.8
485.22360	1.4
486.18878	1.2
487.19907	0.5
494.18182	0.7
495.16779	3.0
495.21631	0.5
496.17041	16.4
497.17007	2.3
498.19211	1.7
499.19995	1.7
500.20471	5.1
501.20862	0.6
508.18954	0.5
509.19019	2.1
510.19382	0.5
511.18585	0.3
512.21423	3.0
513.21802	6.9
514.21600	1.2
522.18011	0.7
523.19635	1.9
524.16901	0.4
526.18719	1.1
527.18896	0.5
528.19958	1.8
531.22382	1.0
537.18976	1.3
538.17896	0.5
541.20776	46.9
542.21143	3.7
553.21643	0.6
554.17285	0.9
559.22168	0.6
569.20190	99.4
570.20471	8.5
571.20349	0.5
572.19019	0.9
573.23212	2.7
586.20166	0.4
597.19592	33.0
598.19690	1.7
600.22058	1.8
601.22815	16.2
602.22723	1.0
611.21021	0.5
615.20721	1.4
629.22083	100.0
630.22498	8.0
647.24091	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	628.498
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	2.8
57.07064	30.8
59.04987	0.4
67.05492	1.7
69.07048	4.0
71.08617	30.8
71.34372	0.4
71.58450	0.7
73.06544	9.1
79.05465	0.5
81.07041	2.0
83.08600	4.6
85.09645	0.7
85.10164	18.2
87.04453	6.2
89.06013	100.0
90.06349	0.8
91.05428	0.7
91.07581	1.3
94.70235	0.3
95.04955	0.4
95.08582	1.7
97.10156	6.0
99.11691	2.6
105.07020	0.7
107.07042	4.7
107.08595	0.9
109.06528	0.4
109.10101	0.7
111.11692	2.7
113.13257	1.9
117.09109	6.5
119.08536	0.7
121.06630	0.4
125.13252	1.5
127.14799	1.6
130.08612	5.4
131.07033	2.3
133.08577	56.1
134.08931	0.5
135.10144	1.5
135.11646	0.4
138.76831	0.4
139.14798	0.8
141.16330	1.4
143.08527	0.6
145.10040	0.5
151.09612	0.5
155.17903	0.7
161.11754	2.3
161.13039	0.4
175.09621	1.5
177.11191	25.5
178.11473	0.4
197.22617	3.0
221.13802	6.0
223.15367	0.6
239.14792	2.1
241.25177	3.2
265.16342	1.2
283.17413	2.8
285.27838	11.0
293.48618	0.4
309.19116	0.8
327.20038	1.7
329.30450	6.9
353.21347	0.9
371.22623	1.9
382.16992	0.4
415.20081	0.6
415.25330	7.6
479.39374	0.8
523.41663	0.9
551.78033	0.4
567.44104	1.0
611.37732	0.6
611.47150	12.5
612.47620	0.6
628.49774	6.9
629.47473	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.2801
Annotation	Red chlorophyll catabolite
Peak:m/z	Relative Intensity
55.01840	0.4
55.05503	0.4
67.05475	0.9
70.02900	0.4
70.05264	1.2
79.05448	0.7
81.07047	0.8
84.25690	0.3
86.26424	0.3
89.65693	0.3
91.05447	0.5
93.07029	0.9
95.04967	0.5
120.04446	0.4
120.08041	0.3
130.06505	0.4
131.07265	0.9
136.07555	1.6
138.09100	0.7
146.06000	0.3
146.09616	0.7
150.09131	0.4
158.68547	0.3
161.07120	0.4
170.09645	0.4
172.07574	0.5
172.09988	0.4
174.09122	3.0
176.10670	0.4
182.09657	0.4
185.07117	0.6
186.09105	0.5
187.08656	1.0
187.12289	2.9
188.10692	1.5
189.10303	0.5
190.05000	0.8
196.07510	0.3
197.07066	0.5
197.10745	0.8
198.09248	0.6
198.11543	0.3
199.08630	0.4
199.12250	0.3
200.09363	0.4
209.10649	0.4
210.07813	0.3
211.08650	1.1
211.12360	0.4
212.09413	0.8
213.10254	0.6
213.13826	0.5
215.11755	2.1
223.08693	0.8
223.12277	0.4
224.09424	0.9
225.10236	2.5
226.10980	0.6
227.11719	2.1
235.08720	0.9
237.10150	0.7
238.07236	0.4
238.10959	0.4
239.08125	0.4
239.11758	2.1
241.09616	0.4
241.13338	2.0
243.11250	16.7
249.10179	1.7
251.11778	1.6
252.08983	0.7
253.09782	1.3
254.10464	0.4
265.09659	0.7
267.11249	5.3
269.12909	1.5
277.09589	1.6
279.11273	0.5
283.14151	0.4
284.11362	0.4
285.12360	2.0
291.10971	0.8
293.12775	0.6
295.10696	2.3
297.12329	0.7
299.14117	0.9
300.11533	0.6
300.14737	0.4
301.12564	0.4
301.15558	2.6
302.09418	0.3
304.10931	0.5
305.11774	0.4
306.12344	0.4
309.12338	1.3
311.14035	0.7
314.12872	1.3
315.13397	0.7
316.10721	1.2
316.14429	0.9
317.11533	1.0
318.12256	0.4
318.15753	0.5
319.10672	0.6
320.14059	0.9
325.15479	5.2
326.12918	0.4
327.10052	0.4
327.13440	4.3
328.10767	1.8
328.14569	1.5
329.11624	0.8
329.15292	0.9
330.12369	2.2
330.15753	0.6
331.13083	1.0
332.14020	0.4
334.15594	0.9
336.13260	0.4
340.10831	0.5
340.14569	0.5
341.11615	0.7
341.15298	0.5
342.12308	2.3
342.16095	0.8
343.13062	1.8
344.13876	2.4
344.17526	0.7
345.14581	0.9
346.15454	1.4
348.13336	2.4
351.13358	0.9
353.15240	0.3
354.12097	0.6
354.15970	0.4
355.13266	0.7
356.13947	2.7
357.14804	1.3
358.11734	0.5
358.15479	2.2
359.16306	0.9
360.17148	0.9
362.15045	0.6
370.11914	0.5
370.15561	1.5
371.16336	0.8
372.13132	0.5
372.17151	2.8
373.13730	0.5
373.18011	0.5
374.14862	0.9
382.15555	0.6
384.12744	0.6
384.17340	1.4
385.18057	0.7
386.14825	1.3
386.19183	1.7
398.14700	0.8
400.16595	1.7
403.15863	1.1
404.16125	0.5
405.16656	0.4
406.17365	0.5
407.19467	0.5
408.16455	0.4
412.16791	0.7
414.18311	0.4
416.16058	0.9
417.17236	0.5
418.17786	1.0
419.18579	0.9
420.16290	0.7
421.16498	0.9
422.17340	0.5
423.18124	0.6
428.15854	0.6
430.17462	0.8
431.18314	1.2
432.19434	2.4
433.20450	0.5
434.18610	0.9
435.13464	1.6
436.19620	0.6
437.19583	1.9
438.21423	0.5
442.16934	0.4
444.19424	0.7
445.20322	0.6
446.20734	0.9
447.17194	0.7
447.21942	0.9
448.14850	0.4
448.20612	0.5
449.15674	1.2
449.20789	0.7
450.16730	1.4
450.21930	0.5
451.17331	1.0
451.21838	0.9
459.18018	0.5
460.18738	1.0
461.18271	0.5
461.23370	1.4
462.23822	1.5
463.22040	3.1
464.17566	0.4
464.22629	0.5
465.18759	8.9
466.19611	0.7
472.18997	0.5
473.19937	0.4
474.19611	0.5
475.20834	0.5
476.19128	0.5
477.19510	1.2
478.20023	1.3
479.20496	4.6
480.21442	3.1
481.22244	1.9
489.23297	1.5
490.23367	0.9
491.20517	0.9
492.21722	2.6
493.22964	3.2
494.22964	0.6
495.16562	0.6
503.21146	0.4
504.20981	2.1
505.19229	0.5
505.21906	0.5
506.22900	0.5
507.23941	3.8
508.21161	1.4
517.22150	1.1
518.21271	0.5
520.21039	1.1
521.25519	0.6
522.22986	0.4
535.23425	4.8
540.23425	0.7
541.24158	1.6
549.24884	8.5
552.23431	0.8
553.24457	1.5
554.24872	0.6
563.22638	0.6
567.25946	40.3
568.26569	1.0
577.24493	1.2
595.25391	30.4
596.25519	0.6
609.26672	0.7
627.27991	100.0
628.20007	0.6
628.29858	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.2802
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15217	1.1
54.91879	1.0
55.01850	1.3
55.05498	2.5
57.03423	2.4
64.81560	0.9
67.05486	2.4
69.07058	8.1
70.07383	1.2
70.41673	0.8
71.60966	1.9
78.74679	0.9
79.05479	3.4
81.03397	1.8
81.07042	16.1
81.27787	0.9
82.07376	2.6
85.02911	1.7
85.76651	1.0
91.05468	1.6
93.07023	2.7
97.02927	1.4
97.06528	2.1
103.03898	2.0
105.07028	2.2
107.08590	1.5
109.06489	1.1
111.12869	1.0
115.07539	2.9
119.08582	2.3
127.07517	2.0
131.01727	1.0
131.08447	1.2
135.08046	2.8
136.07535	1.1
138.74934	1.0
145.08589	2.8
159.68578	0.9
163.07552	2.5
174.09131	3.7
187.08681	1.4
187.12303	4.1
188.10716	1.4
198.09196	1.1
201.11122	6.7
202.11594	1.3
211.08621	2.7
212.09384	1.5
215.11893	2.0
225.10204	2.1
227.11908	2.2
229.10509	1.4
239.11699	2.7
241.13414	2.1
243.11266	22.9
243.13620	1.8
249.10262	2.2
251.11768	1.3
253.09717	2.1
256.16943	1.2
267.11285	5.7
269.12747	1.5
273.13507	1.9
274.13663	1.6
277.09720	2.1
285.12473	2.1
291.14633	1.2
292.14636	1.4
295.10818	2.1
300.11810	1.4
301.12274	1.1
301.15482	1.4
314.12939	1.6
316.10892	1.7
316.14462	1.9
319.10657	2.0
325.15363	9.5
327.13492	3.9
328.10828	1.6
329.11496	1.5
330.12640	2.3
330.16138	1.2
334.15692	1.9
342.12253	2.7
342.15924	1.5
343.13113	3.3
344.13885	3.7
345.14908	2.6
346.15567	2.7
348.13455	4.6
351.13205	1.8
356.14014	3.4
357.14508	1.5
358.15704	2.6
370.15601	3.0
372.17050	4.2
374.14771	1.8
386.14566	1.6
386.18762	2.1
387.15646	1.1
396.48141	1.1
400.16824	2.0
418.18127	1.7
430.17947	1.5
431.18347	1.2
432.19141	3.9
435.13962	1.9
437.20023	2.8
445.20456	1.2
447.21997	1.6
450.16559	1.3
451.21341	1.2
452.22238	1.5
461.23776	1.9
462.24246	3.8
463.21359	3.5
465.18536	12.8
466.20459	1.2
477.19302	2.3
479.20743	7.7
480.21576	6.2
481.22275	3.9
490.20370	1.9
491.21234	1.3
492.21783	3.6
493.22217	3.7
507.23950	6.0
508.20807	2.1
517.22150	2.8
520.21295	2.3
535.23535	6.5
541.24213	1.3
549.24890	11.1
552.22961	1.4
553.24530	1.3
567.25964	82.0
568.26532	2.2
577.24780	1.7
595.25433	100.0
596.25708	2.5
627.28009	70.0
628.28833	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	626.224
Annotation	Unknow
Peak:m/z	Relative Intensity
55.64819	2.3
56.66831	2.0
56.75142	2.4
57.07076	27.0
60.23998	2.8
67.05486	3.7
67.62883	2.3
69.07057	21.3
71.62639	2.6
81.07045	6.1
91.05460	4.5
115.05454	2.5
115.07523	3.5
117.06997	6.0
129.06984	3.7
131.04861	2.8
136.07552	2.7
141.01031	2.4
145.06473	4.5
148.93907	2.4
149.61867	2.5
160.05165	3.3
162.14778	2.7
172.05132	3.7
175.07472	4.2
182.28215	2.3
185.05986	7.8
188.04657	38.7
197.07272	11.1
203.07005	100.0
231.06509	100.0
231.08830	5.3
249.07536	57.9
294.10022	17.7
333.13217	22.2
356.13950	3.4
444.45709	2.7
517.18207	3.5
518.18738	3.1
542.98987	2.3
626.26074	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.2211
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02356	0.4
53.03925	1.3
55.01831	0.3
61.91003	0.2
62.42787	0.2
63.66782	0.2
67.05492	0.3
69.82717	0.2
69.83398	1.1
70.06595	0.3
72.08130	0.2
77.03904	0.2
77.26834	0.2
81.03402	0.3
81.07000	0.3
84.08099	0.3
91.05463	6.3
93.07027	9.7
95.04957	3.1
102.04726	0.2
103.05449	7.7
105.04491	0.7
107.04930	0.4
121.06480	100.0
122.06820	1.8
137.05940	0.2
145.02831	0.6
177.05452	1.1
190.04997	0.4
207.08038	0.2
243.11241	0.4
263.06824	0.2
285.12311	0.7
291.06586	0.3
295.06577	0.2
295.09540	1.1
304.12366	0.2
308.06775	0.2
323.05743	0.2
323.09201	1.1
325.11774	0.2
351.08643	0.7
369.09930	0.2
433.16525	0.4
443.14789	0.3
461.15762	0.4
543.12524	0.2
558.17749	0.2
582.00977	0.2
583.28156	0.2
627.27631	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	626.1705
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	0.4
55.05487	0.7
56.05018	0.4
57.03427	2.2
58.90448	0.3
60.04515	0.3
67.01868	0.4
67.05468	0.3
68.99768	1.1
69.03399	0.9
70.06585	4.6
71.04980	17.3
71.63229	0.4
72.08125	1.3
73.02872	0.5
75.04453	0.9
79.05473	0.5
83.04984	1.6
84.04488	0.9
84.08115	1.2
85.02890	21.8
86.09696	1.6
86.99017	0.5
87.04471	0.5
91.05429	0.5
97.02874	1.2
98.50965	0.3
100.07550	0.4
102.03699	0.4
102.04724	0.3
102.05530	0.5
103.05333	0.3
105.07026	0.5
107.04939	0.6
110.07164	0.4
111.04455	0.8
120.08077	0.6
121.02853	0.6
121.06467	0.7
123.04440	0.3
127.03921	0.6
129.05463	6.9
129.10185	0.6
136.07556	0.9
137.02333	0.8
143.02718	0.4
144.74559	0.3
147.04369	0.7
147.06496	2.7
153.01811	0.5
161.02368	0.3
161.05927	1.2
164.49570	0.3
169.09793	0.3
173.06084	0.3
175.04001	0.3
180.96587	0.3
183.02925	0.4
189.03224	0.5
189.05417	2.8
203.03221	0.8
206.11691	0.5
217.04909	13.7
227.03368	1.0
231.02818	0.4
245.04427	16.8
246.04788	0.4
255.02888	0.7
273.03891	37.7
274.04166	0.7
301.03375	100.0
302.03802	2.0
303.05011	4.3
304.05258	3.3
319.04541	0.5
361.73166	0.3
546.38867	0.3
607.00891	0.4
626.33221	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.3425
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.9
55.01855	9.1
55.05503	11.5
57.03413	7.4
57.07068	5.7
60.04518	5.5
61.02925	4.6
67.05498	30.2
69.03415	29.4
69.06721	2.4
69.07066	39.4
70.06587	97.5
71.04964	14.9
71.06911	7.7
71.08590	2.8
71.62807	4.7
72.08156	13.8
73.02899	6.4
74.06052	4.7
79.05484	23.4
81.03404	20.4
81.07046	100.0
83.04977	7.7
83.08601	8.4
84.04468	5.5
84.08125	9.5
85.02894	44.2
85.06535	23.1
86.09692	21.0
87.00803	19.0
91.05453	19.6
93.07032	70.5
94.07439	2.9
95.04953	24.7
95.08598	57.8
97.02871	22.0
97.06542	12.9
97.10151	5.9
99.03556	2.1
99.04446	9.2
99.08080	7.7
103.05437	5.6
105.01855	13.4
105.07019	29.7
107.04944	23.1
107.08578	48.3
108.05273	3.2
109.02869	18.2
109.06515	17.9
109.10142	58.0
110.07159	4.1
111.08078	15.3
111.11673	3.7
113.05964	3.0
115.08755	2.4
117.07023	4.0
119.04917	2.8
119.08583	31.2
120.08108	11.6
121.06512	6.9
121.10132	43.0
122.10444	3.7
123.04434	5.9
123.08058	6.0
123.11710	39.8
125.06069	3.2
125.09643	10.7
127.03888	31.3
127.07574	5.5
127.11182	2.9
129.10229	5.7
131.08557	13.1
133.10115	25.0
135.08034	6.8
135.11685	26.1
136.07588	3.8
136.11171	11.4
137.06018	3.1
137.09637	9.9
137.11513	4.5
137.13237	9.3
139.11151	14.4
141.12759	2.4
143.08539	5.0
145.04970	13.1
145.08575	3.2
145.10123	17.6
147.04330	2.7
147.08003	4.6
147.11671	22.1
148.11176	2.9
149.09599	4.1
149.13222	13.0
151.11185	8.6
151.14836	2.5
153.12770	8.2
155.10616	6.2
157.10089	13.2
159.02890	7.6
159.11658	13.6
161.09520	3.6
161.13220	14.1
163.03911	4.6
163.11124	4.9
163.14828	6.9
165.09087	4.7
165.12726	5.6
167.10696	8.8
167.14313	3.6
169.12161	4.7
171.11691	6.5
173.11848	4.2
173.13176	17.1
175.14827	7.5
177.12746	5.3
177.16341	3.5
181.12270	3.4
185.13269	5.9
187.14799	10.2
189.16409	6.6
193.15807	2.9
201.16406	10.0
203.17949	10.8
205.15868	4.7
207.17456	4.5
213.16374	18.5
217.19423	3.2
219.17422	3.6
221.18988	4.9
231.04866	5.6
231.17412	19.7
237.18513	7.4
249.05865	2.1
249.18462	32.9
255.19440	3.1
267.19537	33.4
269.17444	4.0
269.22656	6.8
272.16757	2.8
285.20364	5.4
287.23715	17.0
293.24701	4.9
305.24722	39.5
323.25797	36.5
341.26758	8.4
359.28107	3.3
553.29688	2.7
624.77667	4.1
625.28302	81.1
626.28778	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	625.2997
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05480	0.4
63.88996	0.3
67.05490	0.9
69.07048	0.3
69.89180	1.7
79.05485	0.7
81.07047	1.0
81.67624	0.3
85.64979	0.3
85.89850	0.3
91.05449	0.5
93.07036	0.7
95.04941	0.3
95.08575	0.5
98.21493	0.3
105.06990	0.3
109.06464	0.3
113.05912	0.3
119.08552	0.3
133.10081	0.3
161.09587	0.3
167.49486	0.3
215.24149	0.3
290.15289	0.3
291.19550	0.3
325.27634	0.3
376.16339	0.3
377.17651	1.1
378.18344	0.5
379.19150	0.8
391.19394	1.4
392.20010	1.0
393.20612	1.5
394.21518	0.4
405.16296	1.8
405.21182	1.0
406.16962	1.3
407.22467	4.9
408.22928	0.9
418.21893	0.4
419.17917	2.5
419.22815	1.0
420.19049	2.8
421.19946	2.6
431.18723	0.9
432.18982	0.3
433.19934	4.5
434.21036	4.2
435.21710	6.3
436.22531	0.8
437.23315	0.3
445.20175	0.9
446.20956	0.5
447.21790	1.7
448.22552	0.5
449.19281	3.1
450.19968	0.7
451.25461	1.3
452.25699	0.5
459.21985	0.4
460.22232	0.5
461.23624	1.3
463.20905	2.0
464.21509	1.6
465.23047	2.5
477.22864	2.1
478.23535	4.4
479.24796	4.5
491.24677	1.3
492.25183	0.4
493.22110	0.4
493.25629	0.4
495.24011	0.4
505.25891	0.9
521.25488	9.2
522.25629	1.2
523.22766	1.4
533.25055	0.3
537.25122	0.8
547.27002	1.6
565.27979	20.1
566.28491	2.3
581.27319	3.2
593.27576	0.6
597.30823	0.4
607.28796	1.0
625.30121	100.0
626.30316	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	624.2795
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.3
53.20538	0.2
54.37516	0.2
62.75923	0.2
64.57465	0.2
68.05012	0.7
69.03420	0.7
70.06583	95.8
71.06337	0.7
71.06915	0.6
72.74695	0.2
75.48090	0.2
79.05503	0.2
81.03391	0.5
82.06583	0.7
84.08119	2.2
85.02907	1.1
91.05508	0.2
93.07021	0.4
94.06532	0.3
95.04953	0.2
96.08117	0.7
97.02867	0.3
107.04939	12.2
108.08088	1.4
109.02854	0.4
110.09677	0.4
119.08562	0.2
120.08076	2.0
121.06438	0.2
121.08871	0.9
122.09658	0.9
123.04410	6.4
127.03883	0.5
133.08876	0.6
134.09631	5.8
136.11195	38.2
137.05989	0.6
137.11549	0.4
141.07062	0.2
145.06404	0.2
146.09666	0.4
147.08015	0.3
147.10393	0.7
148.11192	5.2
149.05922	0.4
149.12003	0.6
150.12761	2.1
160.11206	0.8
161.05991	0.6
162.12738	0.3
172.11192	0.4
174.12869	0.3
175.07472	0.3
187.07487	0.3
188.10680	1.3
190.12233	0.7
191.06985	0.3
206.11763	0.4
208.13351	0.4
258.14905	0.2
270.14856	1.8
272.16403	4.0
330.25684	0.2
340.19128	0.4
432.20251	0.3
434.21771	2.0
436.25098	0.4
462.22900	0.2
474.21259	1.0
539.35052	0.2
606.26910	0.6
624.27930	100.0
625.28290	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	623.3777
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	4.8
55.01850	7.6
55.05502	31.6
57.03425	13.9
57.07066	2.8
58.37325	1.8
65.03917	4.6
67.05492	100.0
69.03421	30.6
69.07048	17.5
70.06592	2.6
70.71409	6.9
71.04970	8.4
79.05057	2.6
79.05480	41.5
81.03401	54.8
81.06577	3.1
81.07041	51.7
83.04965	24.2
83.08606	16.3
85.02872	5.3
85.06528	3.7
87.04411	2.4
90.32893	2.0
91.05465	39.8
93.07021	44.0
95.04951	12.7
95.08580	37.6
97.02894	14.2
97.06479	4.4
97.10144	14.0
99.04439	5.8
99.08048	3.8
101.05933	2.3
103.03877	3.3
105.06998	25.7
107.04911	6.1
107.08566	23.1
109.02874	9.7
109.06492	7.1
109.10133	70.4
111.04433	7.2
111.08044	5.4
113.09644	2.2
117.06999	15.7
119.08563	24.9
121.06474	4.6
121.10110	17.7
123.08030	4.6
123.11672	5.6
125.09612	12.3
127.03849	8.2
128.06169	2.9
129.05463	14.0
129.06973	11.9
131.08531	15.9
133.06450	3.2
133.10086	21.8
135.08014	8.5
135.11656	12.8
137.09589	5.9
137.13152	2.3
139.11159	3.2
141.06953	2.6
142.60484	1.9
143.08549	8.2
145.06409	4.2
145.10114	18.6
147.07983	4.2
147.11670	12.0
147.88771	2.1
149.09596	5.4
149.13231	5.8
151.11121	2.5
155.08508	3.3
155.10651	2.5
157.10043	8.3
159.08038	2.6
159.11630	11.3
161.09567	5.1
161.13297	2.8
163.11191	3.4
167.00288	2.0
169.10065	4.7
171.08025	2.5
171.11629	8.0
173.04512	2.1
173.09552	5.0
173.11694	21.8
173.13213	8.1
175.11137	4.7
181.10051	3.7
183.11621	6.5
185.09599	4.4
185.13243	6.4
187.11197	3.2
189.11148	7.7
189.12715	3.0
195.11681	2.9
211.11156	3.2
213.16263	2.6
215.17929	7.1
217.19528	2.2
225.12617	3.3
227.12721	8.3
229.12050	3.8
229.14284	41.7
231.17566	3.1
233.18942	8.0
237.34561	2.1
243.17326	2.7
245.13806	3.4
255.17546	2.7
273.18436	5.9
287.20023	2.9
291.19394	3.4
299.14850	4.8
307.22620	19.1
309.24026	11.8
313.21561	2.9
323.19833	4.6
341.20993	10.2
350.27521	2.5
359.22119	11.3
371.16879	6.2
373.18536	10.5
377.23041	4.4
415.24686	5.3
433.25638	7.7
451.26636	4.6
461.32394	8.1
479.33749	3.3
563.25854	3.1
569.34375	6.9
587.35510	11.2
605.36597	55.8
623.27588	12.7
623.37769	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	623.3422
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47446	1.9
53.03928	2.6
53.92740	1.9
55.01847	2.9
55.05503	12.5
55.67585	1.9
57.03424	4.6
61.02924	16.6
65.03926	1.8
67.05495	27.6
69.03413	7.0
69.07053	8.5
70.06580	4.5
71.04971	2.8
71.27543	4.8
73.02907	5.6
79.05482	26.0
81.03392	6.9
81.07044	29.7
82.36044	2.2
83.04948	3.1
83.08611	9.4
83.50423	1.9
85.02895	17.0
86.09700	3.1
91.03946	7.7
91.05468	30.9
93.07030	23.9
95.04942	6.3
95.08596	19.1
97.02882	12.5
97.06503	3.5
97.10161	3.7
105.07027	28.6
105.41988	1.9
107.04927	4.3
107.08591	12.7
109.06527	3.5
109.10123	8.2
111.08069	2.5
112.55950	2.2
115.05441	3.1
117.07011	19.0
118.91993	1.8
119.04939	2.2
119.08572	12.8
120.04069	1.9
120.08124	2.8
121.06483	6.3
121.10125	7.6
123.08067	4.4
125.09559	2.5
127.03901	4.0
128.06160	4.8
129.06993	26.6
131.08566	27.0
133.06458	6.8
133.10100	12.2
135.08047	4.7
135.11696	2.9
136.06197	6.5
137.09601	3.6
141.06967	10.2
142.07755	3.1
143.08542	20.3
145.04880	2.0
145.06470	6.7
145.10091	16.0
147.08005	5.8
147.11646	4.0
149.09596	3.7
153.06886	3.0
154.07816	2.1
155.08513	18.6
157.10104	12.8
159.08070	5.6
159.11687	8.8
161.09544	2.4
165.91678	1.9
167.08531	6.1
169.10155	13.2
171.07980	4.1
171.11638	10.1
175.11174	4.9
181.10091	6.6
183.11687	8.0
185.09499	3.3
185.13251	6.4
187.11192	3.5
193.10225	3.8
195.11723	7.9
197.13203	4.5
198.37352	2.2
199.11102	2.5
199.14780	4.2
203.14368	2.8
207.11650	4.8
209.13142	3.1
211.14783	2.3
213.12711	3.4
215.14352	2.9
219.11800	2.5
221.13239	6.7
223.14793	6.7
225.12773	2.5
235.14828	5.6
239.14319	4.1
241.15854	3.1
243.13640	2.3
257.15244	3.4
271.16913	2.1
323.23660	2.8
333.22058	9.0
341.24652	5.5
351.23145	30.4
369.24203	28.2
387.25076	14.6
415.28247	2.9
425.26828	7.7
443.27893	100.0
444.28363	4.6
461.28958	77.9
462.29245	3.3
485.29089	3.5
587.31769	2.9
623.26019	3.4
623.34906	2.7
628.55890	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	623.3266
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	6.6
55.01854	10.1
55.05501	20.3
57.03428	8.4
57.07055	5.4
59.04993	8.5
60.04510	6.2
61.02906	6.5
67.05498	38.4
68.99773	3.1
69.03068	2.2
69.03417	26.9
69.07060	31.8
70.06582	33.6
71.04984	14.0
71.08609	1.7
71.62780	2.1
72.08131	7.5
73.02891	4.6
79.05482	26.4
81.03416	18.9
81.07050	100.0
81.62904	1.6
82.06561	1.9
83.04977	9.5
83.08612	16.0
84.04486	4.2
84.08118	8.7
85.02889	49.7
85.06541	6.4
86.09695	15.2
87.00819	21.4
89.06013	2.6
91.05471	29.1
93.07032	80.4
93.07620	3.9
95.04958	13.2
95.08597	95.2
96.08952	2.0
97.02878	25.2
97.06521	13.8
97.10154	13.5
99.04456	11.1
99.08074	6.6
101.05982	3.0
103.05453	3.4
105.01859	17.3
105.07014	49.0
106.07340	2.2
107.04932	5.3
107.08582	66.3
109.02863	17.7
109.06496	12.3
109.10143	68.0
111.04436	1.7
111.08076	11.5
111.11660	3.8
111.44601	1.7
113.09605	2.3
117.01839	3.5
117.06960	9.2
119.05014	1.7
119.08564	43.9
120.08085	4.6
121.06481	6.0
121.10128	62.7
123.04407	4.1
123.08041	7.7
123.11689	28.2
124.83560	1.8
125.09606	10.5
127.03902	30.0
127.07513	2.1
129.06966	5.9
129.10194	3.7
131.08546	19.8
133.06439	1.8
133.10118	61.8
135.08026	5.6
135.11671	28.7
136.07544	3.3
136.11176	2.9
137.05946	2.5
137.09616	13.8
137.13284	3.5
138.09116	5.4
139.07509	2.4
139.11179	13.4
141.09094	2.6
142.07762	2.9
143.08540	7.1
144.09357	2.0
145.04938	13.9
145.10103	25.6
147.11671	32.5
149.09599	8.3
149.13232	22.6
151.11162	12.4
153.09135	2.9
153.12756	4.5
155.08461	1.9
155.10641	5.0
156.10291	2.9
157.10094	15.1
159.02866	9.0
159.11674	25.6
161.09560	3.6
161.13245	18.0
163.11136	6.6
163.14844	8.6
165.08951	1.7
165.12694	4.7
167.10648	6.8
171.11647	10.8
173.09517	1.7
173.11931	1.7
173.13196	11.7
175.11203	3.6
175.14784	7.1
177.12744	2.9
177.16399	5.3
179.10664	1.8
179.14273	2.4
183.13689	1.7
185.11679	2.8
185.13249	7.7
187.14807	16.6
189.12798	2.5
189.16371	22.9
191.14230	2.7
191.17899	3.6
193.15747	2.2
199.14810	3.8
201.16364	15.9
203.14232	1.9
203.17953	10.7
205.15843	3.7
207.17406	3.7
211.14905	2.9
213.03880	3.0
213.16373	18.0
215.17947	21.1
217.19536	8.7
218.08093	3.0
219.17426	8.0
221.18974	7.3
226.11853	1.9
227.17970	17.1
231.04965	6.0
231.17397	16.2
233.18962	10.6
237.18390	7.4
239.20027	2.1
245.19026	9.1
247.16960	3.4
249.16071	3.2
249.18472	39.3
251.19997	34.1
251.22374	3.3
257.22791	1.9
260.09073	2.6
263.20059	23.0
264.20422	1.9
267.19351	14.6
269.21109	6.2
279.23477	2.2
281.21057	23.2
285.22055	5.2
287.23645	3.4
291.23212	4.3
299.22211	3.4
303.23157	17.0
305.24844	8.7
309.24234	15.5
321.24240	38.4
323.25800	5.7
339.25244	12.2
357.20691	2.9
416.33066	1.8
425.31238	3.0
442.30963	2.2
443.31793	13.2
461.33163	8.2
500.19986	1.9
533.27478	4.1
551.28687	3.8
596.19379	1.9
623.26526	14.7
623.36945	3.4
624.18469	1.7
624.27374	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	623.2855
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14787	0.3
67.05451	0.4
81.06995	0.5
105.06870	0.4
130.49429	0.3
180.57962	0.4
288.07748	0.4
298.03247	0.4
313.41730	0.4
334.47702	0.4
385.49979	0.3
390.18344	0.5
393.20709	0.4
401.17783	0.7
403.19260	0.6
404.20651	0.8
405.20926	0.4
413.17993	0.7
414.18317	0.4
415.19388	1.8
416.20074	0.5
417.21158	0.5
418.17142	0.6
419.18015	1.0
427.19812	0.6
428.19888	1.1
429.20786	5.8
430.21381	1.3
431.18335	1.2
432.19260	0.8
433.24063	1.1
434.21088	0.8
435.21552	0.8
442.21564	0.4
443.22452	4.1
444.23605	2.2
445.23853	1.5
446.20663	0.6
447.22293	2.1
448.22290	0.7
449.23080	1.6
456.19467	1.0
457.23740	1.6
458.25140	2.2
459.21512	3.1
460.22418	2.0
461.19086	1.5
461.23572	1.7
462.20129	2.1
463.20935	0.6
470.21167	0.5
471.21820	0.9
472.22531	4.1
473.23645	2.6
474.19415	0.5
475.20862	2.0
476.21552	2.3
477.22818	3.1
485.23419	5.9
486.24182	1.8
487.25211	3.4
488.21542	0.6
489.22760	1.3
490.23380	0.5
503.24652	2.4
517.26196	3.5
519.23358	0.4
520.24597	1.1
521.22412	0.6
531.23889	4.9
532.23981	1.0
535.25513	1.2
545.25403	46.7
546.25671	3.1
548.24207	0.5
563.26239	13.4
564.26459	1.1
577.27759	0.9
591.25360	1.2
605.27380	4.0
623.28455	100.0
624.28961	5.5
630.02081	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2853
Annotation	Cyclotaxinine NN-2
Peak:m/z	Relative Intensity
51.96278	0.5
54.11889	0.5
56.86391	0.5
59.62692	0.6
65.03969	0.6
67.05482	1.8
69.07065	0.7
71.63665	0.8
79.05469	0.7
81.07044	1.3
81.10155	0.5
90.80865	0.5
91.05482	1.2
93.07039	1.4
94.38628	0.7
95.08589	0.8
96.08982	0.6
98.82748	0.6
102.05498	0.5
106.94907	0.5
107.08569	0.6
119.08553	0.7
133.10187	0.8
206.92557	0.6
299.28879	0.6
391.19104	1.5
393.20908	0.9
403.19809	0.8
404.20349	0.7
405.20761	1.6
406.21552	1.8
419.18420	2.1
419.23026	1.4
421.23889	1.5
429.16492	0.8
432.19647	1.7
433.19891	3.0
434.21164	1.1
435.21692	1.5
443.18610	1.2
445.20215	2.0
446.20724	1.2
447.22629	4.0
448.22870	1.2
449.23373	4.6
457.20068	0.9
458.20950	0.9
459.21933	2.7
461.19742	2.1
462.20297	1.2
463.21335	1.1
473.03586	0.6
475.20801	1.4
475.91867	0.6
476.21793	5.2
477.22922	2.9
489.23318	1.4
493.21689	0.7
503.24359	1.6
519.24127	1.2
519.33099	0.7
521.21655	1.7
533.25183	3.7
535.27191	3.9
545.25519	1.9
547.26379	0.6
563.26440	19.4
564.26862	1.1
591.25562	0.9
593.27045	1.0
595.28955	0.9
605.27399	3.4
606.28271	3.1
623.28552	100.0
624.28778	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	623.2853
Annotation	Unknow
Peak:m/z	Relative Intensity
65.66499	0.3
67.05495	0.8
69.03425	0.3
71.63837	0.3
71.64198	0.4
74.47876	0.3
79.05480	0.7
81.07042	0.7
82.87022	0.3
85.10801	0.3
91.05507	0.3
93.07032	0.5
102.26632	0.4
119.08539	0.5
156.73872	0.3
209.10852	0.5
251.11870	0.3
375.15921	0.9
376.16815	0.4
377.17584	0.3
389.17639	2.3
390.18439	1.1
391.19049	2.4
392.20038	0.4
403.19510	2.3
404.19946	1.4
405.20749	8.1
405.26123	0.5
406.21518	0.9
415.19418	0.6
416.20010	1.4
417.16464	5.8
418.17163	2.0
419.18274	3.4
431.18222	4.5
432.19351	7.5
433.20102	7.7
433.25409	0.6
434.21066	0.6
443.18268	0.4
444.19458	0.5
445.20258	3.5
446.20941	1.0
447.18091	0.5
449.23392	1.3
450.23932	0.5
459.21686	1.8
461.19043	1.7
462.20328	0.8
463.21402	2.3
464.21878	0.5
475.20837	1.6
476.21930	4.4
477.23370	4.3
478.24011	0.4
487.21188	0.9
489.22748	1.4
490.23346	0.6
491.24326	1.2
505.22159	0.8
519.23846	23.5
520.24231	0.9
521.21948	1.0
531.22986	0.4
535.26343	0.9
547.23120	0.9
551.26489	0.8
563.26447	15.5
564.26990	1.3
579.25873	5.3
591.26202	0.5
605.27722	0.7
623.28516	100.0
624.28772	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2853
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05474	0.5
71.61022	0.5
79.05476	0.7
81.07050	0.5
85.12356	0.3
87.04485	0.4
89.06023	1.4
91.05482	0.4
93.07043	0.4
95.08596	0.5
102.70743	0.3
105.07012	5.8
120.08107	0.4
131.08569	0.5
133.08595	0.9
133.10194	0.3
165.26425	0.3
182.93468	0.3
184.09729	0.5
195.09196	0.8
196.09976	1.0
197.10744	1.0
209.10709	3.1
210.11395	1.9
211.08806	0.5
211.12271	1.9
212.13101	0.4
221.10719	0.7
222.11305	0.6
223.08774	0.8
223.12291	4.6
224.09467	0.9
224.13039	4.5
225.10248	1.0
225.13805	1.2
226.14725	0.4
235.08586	0.6
236.05540	0.4
236.09438	0.8
236.12952	0.4
237.10104	1.9
237.13803	2.7
238.11031	0.4
238.14606	1.2
239.15427	1.9
249.10193	1.0
250.10995	0.8
251.08177	0.5
251.11784	0.8
252.12445	0.6
253.13390	0.6
261.13928	0.5
262.14471	0.4
263.08136	0.6
263.15427	0.4
264.08762	0.4
264.12704	0.4
265.09888	0.6
265.13373	2.4
267.15073	0.5
275.15286	0.4
277.09845	1.0
279.11163	0.6
283.10818	0.4
296.11588	0.7
299.15396	0.5
300.14978	0.6
309.12521	0.4
311.13889	2.8
312.14633	0.7
337.11954	0.7
338.16214	0.4
340.14380	0.5
390.22171	0.5
391.19336	0.7
405.20813	0.7
417.16727	0.6
418.17880	1.1
419.18332	1.8
431.18481	0.5
432.19632	1.1
433.19888	2.3
434.20703	0.7
435.22226	0.4
445.20569	1.1
446.16931	0.6
447.22122	1.1
448.18170	0.6
449.23514	1.3
461.19717	1.5
463.21225	1.3
475.21124	1.1
476.22003	2.1
477.22943	2.3
489.22968	0.7
503.24603	0.7
505.22464	0.6
506.23080	0.6
520.24304	0.6
521.22290	0.4
531.23792	0.7
533.22455	0.4
534.22296	0.6
535.26691	3.4
545.25623	0.4
548.23926	2.2
549.24841	0.6
563.26428	25.8
564.26837	1.2
591.25793	4.9
595.28998	1.3
623.28528	100.0
624.28693	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	623.2852
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01849	0.2
55.05497	0.6
57.03426	0.3
61.53511	0.2
67.05508	1.1
69.03422	0.4
69.07052	0.3
71.63860	0.4
76.34978	0.2
77.36488	0.2
79.05470	0.7
81.03407	0.4
81.07035	1.8
83.04979	0.3
83.08603	0.2
90.25307	0.2
91.05447	0.5
93.07043	0.6
95.04939	0.2
95.08595	0.8
97.02864	0.3
97.10178	0.3
98.55340	0.3
105.07060	0.6
107.08592	0.4
119.08569	0.5
129.06940	0.2
131.08517	0.5
133.10115	0.4
145.10051	0.5
149.09602	0.6
171.11673	0.2
175.11200	0.3
193.12268	0.5
194.12485	0.3
201.11237	0.2
204.96971	0.2
209.10806	0.3
217.31039	0.2
235.12383	0.3
312.15030	0.4
321.75125	0.2
375.16370	0.4
377.17624	0.3
388.16910	0.4
389.17603	1.0
390.18341	0.5
391.19128	0.7
401.17621	0.7
402.18451	0.8
403.19238	2.0
404.19806	0.9
405.20932	1.5
406.89206	0.2
415.19293	1.3
416.20633	1.1
417.16885	1.4
417.21722	2.0
418.16815	0.3
418.22314	1.1
419.22427	4.9
420.22949	0.5
428.16061	0.6
429.17206	0.9
429.21692	0.4
430.17950	1.0
430.22620	0.4
431.18625	3.4
431.22864	1.8
432.18909	1.8
433.20135	2.4
434.20825	0.4
435.21857	0.9
443.18533	3.4
444.19165	1.3
445.20041	8.8
446.20892	5.0
447.22046	5.1
448.18149	0.4
449.24036	1.7
450.24100	0.6
457.20221	1.4
458.21124	1.1
459.21786	3.2
460.22589	0.7
461.19925	1.1
461.33154	0.3
462.19968	1.8
463.21265	1.8
471.21664	0.3
473.23434	0.7
475.21097	2.2
476.21872	4.9
477.22778	5.7
478.23019	0.5
487.20877	0.3
489.23068	1.9
490.23682	0.8
491.20221	0.4
503.24133	0.7
504.24954	0.4
505.22525	1.0
508.24695	0.4
517.22314	0.3
518.23010	0.3
519.23914	0.3
521.21918	1.0
522.27069	0.2
531.23798	0.4
532.24329	0.4
533.25446	15.1
534.25861	1.2
535.26154	0.8
536.23981	0.4
545.25433	1.0
548.24072	0.4
561.24847	0.4
563.26422	19.6
564.26703	1.6
565.27985	0.5
573.24933	0.3
577.24152	0.4
590.25281	0.6
591.25934	0.8
592.26556	0.6
593.27557	4.2
594.25708	0.4
595.29059	0.5
605.26978	1.2
623.28528	100.0
624.28790	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	623.2853
Annotation	Unknow
Peak:m/z	Relative Intensity
54.66528	0.2
59.31831	0.2
68.23296	0.2
69.29369	0.5
69.29773	2.6
69.49362	0.2
91.05457	0.3
125.10882	0.3
139.13795	0.3
141.89236	0.2
177.54102	0.3
209.10727	0.3
337.80484	0.3
388.16550	0.4
389.17508	0.8
390.18506	0.3
391.18939	1.1
392.19614	0.3
401.17459	0.6
402.18536	0.4
403.19434	1.2
404.19983	0.6
405.20822	1.7
406.21207	0.6
407.22101	0.9
415.19180	0.9
416.20044	0.7
417.16339	0.7
417.21606	1.6
418.17340	0.7
418.22153	0.5
419.18094	0.8
419.22916	2.2
420.22943	0.9
421.23843	0.5
429.16351	0.3
429.21359	0.5
430.17944	1.1
431.17929	3.0
432.19040	0.9
432.23376	1.0
433.20084	5.6
434.20831	0.9
435.21756	0.3
443.17929	1.4
444.18713	1.4
445.19809	3.4
446.20847	2.2
447.21729	4.1
448.22485	1.5
449.22803	0.8
457.20172	0.4
458.20834	5.7
459.21707	4.4
460.22672	3.6
461.19897	0.9
462.20566	0.8
463.21115	1.9
465.22650	0.4
471.21414	0.4
473.23352	0.8
474.20349	0.3
475.20685	1.3
476.21799	1.6
477.22745	2.0
485.23364	0.5
489.22638	0.5
490.23532	0.5
503.24600	0.5
504.25266	0.5
505.22223	0.5
517.22571	1.0
518.22900	3.6
519.23682	0.7
521.21655	1.2
530.23059	0.6
531.23724	0.9
533.25385	6.9
534.25482	0.9
535.27081	2.7
545.25464	2.1
546.26044	1.1
547.26599	0.3
562.25372	0.4
563.26154	6.3
564.26379	0.4
573.25116	0.8
577.27313	0.5
590.25415	0.3
593.28027	0.4
595.28729	0.3
605.27496	10.5
623.28430	100.0
624.28845	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2849
Annotation	Unknow
Peak:m/z	Relative Intensity
68.26105	0.4
69.31031	2.3
69.31465	3.1
74.13150	0.5
96.45395	0.5
98.20777	0.9
119.54396	0.5
155.56697	0.5
224.12993	0.5
245.92960	0.5
251.15329	0.5
270.42871	0.5
377.17642	1.3
382.30029	0.6
383.15036	0.5
389.18259	0.7
390.18356	0.6
391.18875	2.5
392.19955	1.8
393.20660	1.1
399.16086	0.7
400.16873	1.7
401.17709	0.8
402.19107	1.1
403.19785	0.8
404.20718	1.4
405.20856	3.6
406.21408	3.0
407.22253	9.9
408.22485	0.6
413.17709	1.5
414.18500	2.1
415.19257	3.3
416.20425	0.8
417.21136	1.0
419.18130	0.9
419.22910	0.8
420.23145	1.1
421.23853	8.8
422.24448	2.6
427.19342	1.5
428.20132	2.2
429.20825	9.4
430.21661	2.3
431.18030	0.7
433.19748	1.0
433.24182	1.8
442.21567	1.2
443.22354	6.5
444.23553	2.8
445.20227	1.7
447.17249	0.8
447.22253	0.7
455.18851	1.0
456.19217	1.4
457.23682	2.8
458.25076	5.1
459.21823	6.6
460.22409	2.0
461.18829	3.5
462.20358	1.5
463.20767	0.8
470.21295	0.8
471.22369	1.0
472.22549	5.2
473.18988	0.6
473.23312	1.6
474.20245	0.8
475.21060	5.1
476.21533	4.5
477.22528	2.5
484.18436	0.6
485.23560	11.4
486.20499	1.8
486.24069	2.5
487.20770	1.5
488.21747	1.3
489.22534	2.9
491.25040	0.6
499.21359	3.4
500.21927	1.5
502.23615	0.9
503.24356	6.6
507.23474	0.8
508.28403	1.3
513.22778	3.5
514.23376	1.1
515.24213	0.8
517.26251	6.6
529.25903	1.8
531.23682	1.1
535.26965	5.6
545.25415	68.8
546.25867	2.9
562.25696	1.1
563.26208	0.8
564.27032	1.9
573.24908	19.0
574.25055	1.4
591.25726	1.5
605.27502	78.7
606.27734	3.2
623.28546	100.0
624.28857	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	623.285
Annotation	Unknow
Peak:m/z	Relative Intensity
59.17735	0.5
67.50224	0.6
71.08331	0.6
71.08671	1.4
77.46683	0.6
129.08447	0.7
180.72139	0.6
227.37714	0.6
237.06546	0.6
241.56435	0.6
291.73578	0.6
391.19431	1.0
401.71957	0.6
404.20944	0.9
405.20856	2.9
415.19321	1.1
419.18311	0.8
420.23026	1.2
421.23727	0.9
429.20749	2.1
433.19641	3.9
442.21805	0.8
443.22345	1.4
444.23401	1.3
445.20258	1.7
447.17657	7.0
448.22360	2.3
449.23465	1.8
459.21826	2.7
460.22656	1.8
461.19235	6.4
462.20441	1.0
463.20956	0.9
472.22714	0.7
475.21136	1.7
476.21951	17.7
477.22321	3.0
479.20776	1.4
481.37808	0.6
485.23505	3.7
487.24954	1.1
503.24329	4.1
515.24237	3.0
519.23737	1.0
521.26025	1.1
531.23749	6.7
535.26837	1.0
536.23663	0.9
545.25415	10.0
546.26031	1.0
547.26563	0.7
549.24817	3.5
559.23291	1.9
563.26367	7.2
591.26056	9.3
605.27533	1.8
623.28528	100.0
624.29175	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	622.3784
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09159	1.0
53.03934	6.0
55.01858	14.5
55.05506	9.2
57.03413	4.6
57.07056	3.4
60.00486	1.3
61.02920	1.4
65.03941	1.2
67.05492	43.5
69.03070	1.7
69.03419	27.5
69.07055	11.7
71.04976	12.3
71.08611	2.2
73.02901	7.3
79.05473	10.5
81.03403	32.6
81.07039	41.3
83.04956	3.3
83.08204	1.1
83.08611	9.4
85.02415	1.6
85.02883	15.1
91.05451	8.3
93.07026	15.0
95.04945	3.1
95.08589	31.6
97.02872	34.5
97.06500	2.6
97.10131	5.4
99.04432	61.3
99.08091	1.1
101.02345	3.1
101.89595	1.1
105.07012	9.7
107.08572	9.1
109.02856	34.5
109.10142	16.4
111.04418	8.2
111.08033	2.1
111.11685	1.6
119.08559	5.0
121.10109	6.3
123.11681	8.0
127.03891	100.0
129.05458	1.9
131.08589	2.0
133.08600	1.1
133.10098	6.0
135.11653	4.5
137.13234	3.3
145.04935	21.6
145.10097	2.3
147.08028	1.6
147.11650	4.3
149.13226	4.9
151.11115	1.3
151.14803	2.0
159.11626	1.8
161.13205	3.5
163.14749	3.2
173.13275	1.8
175.14761	3.8
179.14236	1.5
201.16458	1.2
243.21007	1.8
245.22452	6.9
261.22086	5.6
263.23648	18.1
279.23129	8.0
305.24661	1.2
313.15900	1.1
317.24692	1.7
329.24628	1.5
335.25516	2.5
341.24606	1.9
343.26114	3.2
353.24716	4.1
359.25708	4.5
371.25754	11.7
389.26755	7.8
407.27823	13.7
425.28885	56.1
460.25391	1.5
460.76416	1.2
622.27118	5.4
622.40454	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	622.264
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.2
55.01864	0.2
58.99990	0.1
67.05495	0.2
68.05016	0.8
69.03426	0.6
69.07084	0.2
69.42265	0.6
69.42701	0.9
70.06583	100.0
71.06919	0.9
72.08144	0.5
74.09686	0.2
74.52072	0.1
79.05497	0.3
81.03412	0.6
81.07048	0.2
82.06573	0.3
84.04502	0.4
84.08137	1.1
85.02909	1.1
86.09698	0.8
91.05465	0.3
93.07034	0.3
95.04952	0.4
97.02911	0.3
105.04552	0.2
105.07008	0.2
107.04943	13.7
108.05300	0.3
109.02839	0.3
115.05475	0.2
119.04955	0.2
120.08089	0.7
121.06459	0.8
123.04411	5.3
127.03952	0.3
129.07034	0.2
129.10275	0.3
131.04886	0.3
133.06468	0.2
134.09671	0.7
136.07539	0.3
136.11221	0.3
137.06006	0.2
145.06473	0.4
147.04390	0.5
148.11221	0.6
149.05988	0.3
150.09143	0.6
155.08411	0.2
157.06573	0.2
160.11220	0.2
161.05983	0.3
163.07530	1.1
172.11299	0.4
175.07578	0.3
184.11221	0.2
185.12015	0.2
188.10756	0.5
190.12201	0.2
198.12718	0.2
200.10674	1.9
201.09201	0.3
202.08607	0.2
203.06816	0.2
204.10136	0.4
212.10733	0.3
214.12218	1.1
216.10274	0.6
218.11725	0.3
225.09267	0.4
230.11821	0.4
231.10187	0.2
239.10690	0.2
241.08664	0.3
241.19855	0.2
243.10217	0.3
251.10715	0.2
253.08659	0.3
267.10291	0.5
269.11633	0.2
270.15103	0.5
271.09564	0.2
285.11285	0.7
290.15494	0.4
292.17102	0.3
294.14798	0.2
312.16129	0.2
320.16367	1.8
324.16040	0.3
336.15915	0.4
338.17517	0.3
340.15109	0.2
361.28217	0.2
366.29172	0.2
373.14520	0.3
378.20505	0.2
391.15643	0.2
432.20352	0.2
460.21338	0.6
493.33963	0.3
494.33865	1.5
539.18744	0.2
604.25104	1.5
621.38611	0.6
622.26624	55.1
622.38574	11.4
623.26758	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	621.2695
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
54.09150	0.2
70.75602	0.6
107.08631	0.3
144.08066	0.2
220.09981	0.4
221.10767	0.3
233.10876	0.2
289.58926	0.3
314.61118	0.2
324.14905	0.3
334.90500	0.2
374.15366	0.3
375.16092	0.8
386.16293	0.4
387.16034	0.4
388.16882	0.8
389.17563	2.3
390.18481	1.2
391.19009	0.8
401.17746	0.8
402.18555	1.1
403.19424	3.6
404.20032	1.6
405.20724	2.2
406.21637	0.2
415.19360	0.8
416.16098	0.9
416.20432	0.6
417.16934	3.1
417.20932	2.6
418.17322	0.7
418.21506	0.8
419.22327	6.3
420.22726	0.8
428.17078	0.3
429.16684	0.4
430.17258	1.1
431.17950	5.7
431.23560	0.7
432.19119	2.5
433.19891	2.4
442.18246	0.3
443.18109	0.6
444.19543	0.5
445.20053	5.5
446.20886	6.2
447.21680	8.4
448.22253	0.9
457.20343	0.4
458.21210	0.3
459.22702	2.2
460.17969	0.5
460.23010	0.7
461.19266	1.4
462.20276	0.5
463.20895	0.6
473.19528	1.2
473.24088	0.6
474.20251	5.1
475.21164	7.3
476.21506	0.7
478.23651	0.4
487.21182	3.3
488.21863	0.8
489.22769	0.3
490.24118	0.5
491.20978	1.0
501.22665	2.0
502.23254	0.3
503.20801	0.3
505.25580	1.4
517.22375	0.4
518.22833	0.7
519.23950	0.4
529.22174	0.5
533.25433	15.4
534.26013	1.8
546.22687	0.4
547.22992	0.3
561.24841	22.0
562.25085	2.0
589.24359	0.7
593.27441	3.3
603.25745	0.3
621.26935	100.0
622.27216	11.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	622.2639
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66987	0.1
55.05508	0.3
57.03416	0.2
67.05494	0.2
68.05016	0.8
69.03416	0.7
69.07069	0.2
69.42601	0.4
69.43006	1.2
70.06584	100.0
71.06918	1.0
72.08144	0.8
79.05492	0.5
81.03414	0.7
81.07050	0.2
82.06587	0.4
84.04494	0.4
84.08134	1.7
84.08610	0.2
85.02896	1.2
86.09715	0.9
87.04458	0.3
91.05481	0.5
93.07020	0.2
95.04960	0.3
97.02876	0.4
103.05468	0.2
104.07141	0.2
105.07046	0.3
107.04942	16.2
109.02875	0.4
110.07180	0.2
115.05463	0.1
117.07049	0.2
119.04935	0.1
120.08078	0.7
121.06522	0.7
123.04416	6.3
123.05311	0.3
127.03898	0.4
129.34505	0.1
133.06555	0.4
133.08914	0.2
134.09636	1.5
136.11240	0.5
137.05984	0.5
143.04892	0.2
145.06479	0.5
147.04424	0.6
147.08017	0.2
147.10463	0.2
148.11224	1.6
149.05980	0.7
150.09157	0.8
157.06480	0.2
160.11220	0.4
161.05949	0.2
162.75052	0.1
163.07520	1.2
165.05484	0.2
172.11243	0.4
174.09151	0.2
175.07552	0.4
179.08612	0.2
183.07980	0.2
183.11444	0.2
186.12807	0.2
188.10715	0.7
190.12268	0.2
197.09470	0.2
198.09128	0.2
198.67932	0.2
200.10663	2.1
201.09169	0.2
202.12265	0.3
203.06993	0.2
203.09351	0.2
204.10231	0.5
212.10713	0.3
214.12218	1.1
215.10545	0.2
216.10143	0.7
218.11826	0.5
221.09615	0.2
225.09120	0.4
229.08823	0.2
230.11781	0.5
232.13419	0.2
239.10745	0.2
241.08673	0.2
243.10167	0.3
248.93640	0.2
253.08577	0.3
255.10344	0.2
267.10150	0.8
270.14951	0.8
271.09647	0.3
280.13306	0.2
285.11227	0.9
286.81564	0.2
290.11459	0.2
290.15137	0.3
294.14938	0.2
320.16379	1.6
324.15933	0.4
336.15982	0.7
338.17654	0.4
363.15784	0.3
373.14246	0.3
391.15439	0.3
414.20645	0.2
432.20026	0.8
442.19775	0.2
460.20935	0.7
494.33865	0.7
604.24921	1.7
621.38385	0.3
622.26392	59.4
622.37628	2.8
623.26758	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2695
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
51.35535	0.3
51.50079	0.3
52.86113	0.3
67.05495	0.4
69.07064	0.4
70.88216	0.4
70.88592	0.9
81.07010	0.3
88.54134	0.4
89.81631	0.4
95.08630	0.4
118.27180	0.3
122.10377	0.3
122.35342	0.3
123.06091	0.3
269.49960	0.3
312.14786	0.4
340.60269	0.3
375.16312	0.7
376.17294	0.5
387.16254	0.8
388.16965	0.6
389.17664	1.9
390.18549	1.0
391.19226	0.5
401.17688	1.1
402.18567	1.0
403.19391	3.7
404.19788	2.3
405.20920	1.3
413.17654	0.4
415.19147	1.1
416.16095	0.8
416.20740	0.5
417.16843	1.4
417.21759	2.2
418.21442	1.1
419.22223	4.5
420.22910	1.1
429.21341	0.5
430.17020	0.6
430.22055	1.0
431.17984	4.1
432.19351	1.3
433.20099	1.1
441.20480	0.4
443.18253	0.4
445.20703	4.3
446.21176	3.0
447.21939	6.1
459.18304	3.0
460.18811	1.2
461.19617	2.2
473.18652	1.8
474.20294	7.2
475.21234	13.1
476.21695	1.0
477.22668	0.4
487.21301	3.2
488.21936	1.1
501.23010	2.6
502.23013	0.7
504.21118	0.6
505.26447	1.9
518.23212	0.9
519.20526	1.0
529.22430	0.8
533.25543	7.2
534.25262	0.4
546.22449	0.6
561.24896	33.5
562.25323	2.9
565.27747	0.5
589.24567	0.9
593.27264	0.8
621.26984	100.0
622.27332	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	621.2693
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
64.51673	0.3
69.59792	1.7
72.59249	0.3
81.67668	0.3
117.73335	0.3
152.54643	0.3
251.11794	0.3
253.16811	0.3
279.42679	0.3
312.14963	0.4
374.15213	0.5
375.16174	0.8
376.16931	0.4
387.16153	0.5
388.16879	1.0
389.17575	2.1
390.18329	1.0
391.19141	0.8
401.17853	0.6
402.18585	0.9
403.15314	0.4
403.19379	4.2
404.19983	1.8
405.20584	2.3
415.19482	0.6
416.15643	0.4
416.20615	0.7
417.17017	3.2
417.21011	2.4
418.17352	0.7
418.22180	0.6
419.17496	0.5
419.22400	5.9
420.22992	0.4
429.16653	0.7
430.21982	0.4
431.18063	6.1
431.23511	0.6
432.19058	2.3
433.20068	2.6
443.18500	0.5
444.19446	0.4
445.20111	5.6
446.20923	6.0
447.21765	8.4
447.27713	0.6
448.22644	0.4
457.20609	0.5
459.21707	2.6
460.18839	0.9
461.19662	1.3
463.20987	0.4
473.18735	0.4
473.24039	0.9
474.20193	4.9
475.14679	0.2
475.21133	6.2
475.27368	0.4
476.21768	0.4
478.23657	0.4
486.53348	0.3
487.21201	2.9
488.21814	0.6
490.23828	0.5
491.21152	1.0
501.22879	2.1
502.23615	0.6
505.22687	0.6
505.26605	0.7
519.20386	0.5
529.22241	0.7
533.25433	14.8
534.25891	0.7
546.22955	0.6
561.24860	21.5
562.25372	1.1
589.24255	0.5
593.27606	3.3
621.26990	100.0
622.27313	4.5
625.34357	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2695
Annotation	Unknow
Peak:m/z	Relative Intensity
56.87644	0.7
58.02017	0.7
70.55186	2.2
70.55561	1.5
96.49477	0.8
203.22534	0.8
209.10803	0.9
240.92345	0.8
279.24582	0.7
388.16858	1.1
389.17648	4.3
390.18350	1.9
401.17783	0.8
402.18570	1.7
403.19302	7.1
404.20087	3.4
405.20776	2.2
415.19547	1.3
416.16086	1.5
417.16818	3.2
417.21802	3.8
418.21411	2.5
419.22324	8.0
420.22787	0.9
429.21146	1.1
430.17560	1.7
431.17963	7.0
432.19244	2.7
433.20401	2.7
443.18839	1.8
445.20142	9.3
445.24664	0.8
446.20825	5.7
447.21655	13.7
448.22040	1.3
457.92401	0.9
459.17255	1.2
459.22107	2.5
461.19461	1.1
462.50253	0.8
473.19626	1.7
474.20306	11.8
475.21265	16.3
476.22043	1.0
487.21301	4.1
488.21786	1.8
501.22577	2.2
505.25720	2.4
518.23065	1.9
533.25519	14.7
546.22711	1.6
557.89282	0.9
561.24896	78.9
562.25226	4.3
589.24554	2.3
593.27759	2.6
621.27008	100.0
622.27557	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	621.1651
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	5.4
57.03433	3.0
61.02886	2.5
66.92162	2.2
68.99776	4.1
69.03409	5.4
69.42347	6.8
69.42770	15.9
70.06572	11.0
72.08124	2.2
74.60579	2.3
78.03769	2.4
81.03400	5.1
84.08122	3.3
85.02893	38.6
87.00803	5.9
92.52039	2.6
93.03407	2.9
97.02862	3.9
102.03720	2.3
103.02187	2.0
103.03905	5.7
107.04975	3.2
109.02859	7.8
110.07149	5.0
110.69415	2.6
120.08116	10.8
121.02831	8.4
121.08449	3.0
123.04400	6.1
127.03899	3.6
129.01797	5.1
129.10126	2.4
131.04909	3.4
131.06407	2.6
133.06487	3.9
135.04358	5.7
137.06007	2.5
147.04350	10.3
149.02260	3.4
149.05898	2.0
149.07420	13.1
151.03827	7.6
157.06445	3.4
161.05922	7.5
163.03922	11.8
165.01819	2.6
165.05357	2.3
171.02921	3.6
171.04347	4.7
173.06003	3.1
175.00423	2.3
175.03860	16.5
175.07535	3.0
177.01790	5.2
177.05519	5.5
179.03275	3.0
181.04887	4.4
185.05971	5.4
187.03888	8.3
189.01807	7.2
189.05415	9.9
191.03383	11.0
193.04982	10.2
195.02805	10.6
201.01762	10.1
201.05444	10.8
203.03380	4.5
203.06984	6.3
205.04974	10.9
207.02898	12.6
213.05463	11.8
215.03374	10.0
215.07019	4.5
216.04156	15.7
217.04909	38.8
219.02901	26.5
219.06424	4.4
221.04358	3.9
225.05630	3.4
227.03302	3.3
227.06902	5.1
229.04933	68.5
230.05663	13.8
231.02943	11.1
231.06435	14.7
233.04401	8.7
235.05894	13.2
237.03842	15.1
241.04910	19.1
242.05690	3.3
243.02798	13.1
243.06520	30.2
244.07216	3.7
245.04373	4.6
245.07991	3.9
247.06018	43.7
249.03911	6.5
251.07037	3.4
253.04750	2.8
255.02771	4.6
255.06613	11.2
256.07120	2.7
257.04367	12.7
257.08047	9.6
258.05069	4.4
259.05978	100.0
260.06363	2.4
261.03918	24.1
265.07010	6.5
267.06549	3.8
269.04605	2.4
269.08090	11.0
271.06015	30.3
273.03860	12.1
273.07504	21.5
275.05377	4.2
277.07053	36.6
281.04440	5.5
283.06073	15.7
285.03885	23.1
285.07202	3.8
287.09183	4.2
289.06995	5.3
291.04950	5.5
292.19043	6.8
295.05618	6.8
295.08221	9.3
296.06918	3.2
297.04111	4.8
297.07523	13.8
299.05310	4.7
301.07031	60.8
303.04883	9.2
307.05920	6.4
309.03879	5.8
313.07007	25.6
319.08014	9.9
321.06067	3.8
323.05359	3.6
325.07068	28.0
327.04922	14.5
331.08148	14.6
339.08109	3.0
343.08093	39.5
351.04620	2.8
355.08084	7.8
361.09161	27.4
367.08078	20.6
369.05920	4.3
379.10291	49.2
385.09061	7.8
387.07059	2.9
391.08386	2.8
397.11386	21.9
403.10129	20.6
405.07443	3.2
409.09036	5.6
415.11948	5.0
417.07922	4.3
421.11087	9.6
427.10263	8.1
429.07944	4.0
435.09167	9.6
445.11197	28.3
447.09253	19.1
449.06808	2.6
453.10129	5.1
463.12152	6.1
465.10236	58.6
471.09338	5.2
473.12619	4.6
483.11188	10.8
487.12122	4.1
489.10379	19.8
491.13425	23.6
501.10336	4.0
507.11032	4.2
509.09390	3.1
513.10297	3.2
519.11609	16.8
527.10400	3.4
531.11047	11.7
549.12457	20.9
567.13361	12.0
585.14337	2.7
590.08575	2.7
603.19183	3.6
620.33649	3.4
621.34045	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	620.3631
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75689	0.6
52.03127	0.6
53.03941	5.7
54.76844	0.6
55.01862	17.8
55.05503	10.0
57.03424	6.3
57.07064	1.2
61.02900	1.3
65.03938	1.6
67.01857	1.0
67.05494	41.4
69.03417	35.0
69.03805	1.1
69.07063	8.1
69.90022	3.9
71.01319	0.7
71.04980	13.0
73.02903	9.5
79.05479	26.5
81.03405	38.0
81.07043	45.3
82.07378	0.7
83.04985	2.8
83.08604	4.2
84.99284	0.6
85.02892	17.2
85.06520	1.3
87.04442	1.5
91.05466	13.6
93.07029	33.0
94.07320	0.8
95.04958	4.5
95.08591	37.5
97.02875	35.2
97.06516	2.0
97.10159	2.6
99.04436	64.8
99.08061	1.5
100.04773	0.8
101.02364	3.8
105.07009	11.3
105.07664	0.9
107.07862	1.0
107.08584	17.9
109.02861	39.1
109.06488	1.8
109.10133	19.9
111.04416	10.6
111.08061	1.3
111.11700	0.7
115.03928	1.1
116.64722	0.6
117.07001	5.2
119.08553	11.2
121.06528	0.8
121.10121	17.8
123.08012	1.1
123.11694	11.6
125.09650	0.9
127.03896	100.0
128.04228	0.8
129.05453	2.6
129.06978	0.9
131.08554	10.3
133.06427	0.8
133.10117	8.1
135.08014	0.6
135.11659	15.0
137.09560	1.2
137.13197	3.8
143.08528	1.1
145.04935	17.4
145.10110	7.8
147.11684	8.5
149.09589	1.1
149.13214	6.9
151.11165	0.9
151.14835	1.3
155.08530	1.2
159.11664	6.5
161.13249	5.6
163.11211	1.1
163.14787	2.8
165.12724	0.8
171.11705	1.6
173.09605	1.0
173.13208	7.0
175.11124	0.8
175.14777	3.2
177.12799	0.9
179.14198	1.3
180.08649	1.9
181.12170	0.8
185.13264	1.4
187.14795	3.7
193.16049	0.6
195.11687	0.7
199.14726	0.9
201.12654	0.9
201.16351	1.3
205.15819	1.1
213.12817	0.9
215.17963	0.7
241.19496	2.3
243.21094	5.3
259.20544	6.8
261.22101	21.6
273.22025	0.7
277.21561	9.5
279.23141	5.3
287.23404	0.7
291.23175	0.9
303.23206	2.7
315.19846	0.7
315.23187	2.6
329.24591	0.8
333.24078	0.9
339.23080	1.1
341.24686	2.0
351.23267	2.1
357.24200	3.9
359.25815	1.1
369.24210	8.2
370.24393	0.8
387.25327	5.6
405.26273	10.4
406.26422	0.8
423.27365	67.0
424.27689	3.8
621.26025	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	620.363
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02362	1.7
53.03938	7.4
55.01862	17.7
55.05502	15.4
57.03427	15.0
57.07072	2.6
58.45417	1.1
59.05018	1.2
61.02914	5.6
64.65110	1.1
65.03929	3.9
67.05492	48.8
69.03416	71.7
69.06706	1.8
69.07054	14.7
69.26292	1.2
69.64246	7.6
70.20499	1.2
71.01343	2.6
71.04976	7.2
73.02890	7.0
79.05482	32.3
81.03004	1.0
81.03402	32.0
81.07045	53.2
83.01326	1.3
83.04957	8.8
83.08598	9.9
85.02890	100.0
85.06487	2.3
86.09677	2.2
87.04454	4.0
91.05462	28.8
93.07027	40.5
95.04944	10.1
95.08593	37.2
97.02877	36.1
97.06505	4.3
97.10162	3.4
99.04437	15.9
99.08049	1.6
101.02351	8.9
101.06018	1.4
103.03931	3.4
105.07018	29.2
107.04944	5.2
107.08567	26.3
107.09275	1.8
108.04455	3.4
109.02863	9.1
109.06503	5.4
109.10143	19.5
111.04452	9.6
111.08074	2.9
115.03908	6.3
115.05425	2.2
117.06993	17.6
119.08561	25.4
121.06492	5.1
121.10123	22.5
123.04435	3.0
123.08058	4.8
123.11703	10.3
125.09605	2.5
127.03893	62.1
128.06189	2.9
129.05486	3.4
129.06958	11.2
131.04866	2.1
131.08551	26.4
133.06494	4.1
133.10109	19.8
135.08038	4.1
135.11671	16.9
137.09624	2.9
137.13234	4.1
139.07489	1.6
141.06978	4.2
142.07738	2.4
143.08566	10.1
145.04941	31.4
145.06450	2.9
145.10106	21.3
147.08038	3.9
147.11665	16.0
149.09628	3.5
149.13219	7.8
151.07556	2.8
151.11147	2.7
153.09102	1.6
155.08574	5.3
157.06480	2.9
157.10095	10.0
159.08022	4.0
159.11670	18.1
161.09610	3.4
161.13226	9.9
163.06003	5.4
163.11151	2.7
163.14798	2.5
165.07021	1.5
165.09093	1.9
167.08559	1.7
169.10092	5.5
171.08029	3.4
171.11667	9.1
173.09613	4.4
173.13255	13.4
175.11171	4.3
175.14833	4.0
177.09061	1.6
177.12753	2.6
180.08635	12.5
181.10031	2.1
183.08189	1.6
183.11629	5.8
185.09682	3.0
185.13217	6.0
187.11168	2.9
187.13283	1.3
187.14841	5.5
189.12762	3.5
189.16350	1.5
191.14380	1.6
193.09973	1.5
195.11646	2.6
195.13647	1.4
197.09608	1.7
197.11440	1.4
197.13232	4.4
199.11143	3.2
199.14793	4.7
201.12709	4.1
201.16389	2.2
203.14317	1.8
205.12280	1.4
209.13310	2.3
211.11212	1.8
211.14818	2.5
213.12759	3.6
213.16338	1.9
215.14375	3.3
217.12132	1.9
217.15846	2.2
223.14885	2.0
225.12764	1.9
225.16357	1.5
227.14268	1.5
229.15933	1.5
231.13725	1.5
233.15376	2.0
235.16969	1.4
239.14276	1.6
239.18089	1.4
241.19479	1.5
243.13893	1.6
243.21066	4.1
259.20551	7.0
261.22125	13.1
271.20514	3.0
273.22113	4.8
275.23688	1.7
277.14395	2.4
277.21692	6.1
279.23193	3.5
283.20526	1.9
285.22107	3.8
287.20108	1.4
289.18204	1.9
289.21600	4.8
289.67270	1.3
291.23114	7.4
295.15378	2.1
297.22018	2.1
299.23654	1.5
301.21500	7.2
303.23114	14.0
305.09985	1.2
305.22180	1.2
309.22128	1.8
313.21512	2.5
315.23221	8.0
319.22672	4.5
323.23929	2.6
327.23001	6.8
329.25082	1.8
331.22690	1.9
341.24664	9.7
343.22742	2.4
345.24255	4.8
351.23074	13.1
357.24411	1.7
359.25735	3.5
369.24167	38.6
387.20236	1.4
387.25238	48.0
405.26263	53.6
406.26630	1.7
423.27460	18.3
533.25366	2.1
561.24573	1.7
620.41333	2.9
621.26520	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	618.4714
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38460	1.4
50.61493	1.4
53.03925	4.7
55.01850	5.2
55.05263	1.7
55.05502	29.1
57.03424	14.6
57.07058	4.5
65.03915	3.9
67.05492	94.1
69.03411	2.9
69.07053	38.7
69.59150	3.0
69.59564	9.4
71.04975	2.9
72.04513	2.2
77.03893	1.5
79.05479	68.2
81.03396	2.1
81.07042	100.0
83.04943	4.2
83.08607	18.1
85.06533	3.5
87.04459	9.5
87.04928	1.5
88.02193	8.9
91.05463	51.8
93.07024	68.3
95.04961	9.4
95.08588	59.8
97.06509	10.7
97.10146	4.5
99.08067	2.9
105.07011	44.3
106.07297	1.7
107.04952	2.0
107.08575	38.0
109.06497	5.6
109.10139	39.5
111.08043	6.6
117.07001	9.6
119.08565	33.2
121.06436	2.2
121.10123	30.2
123.08010	3.3
123.11676	8.1
125.09588	2.0
127.07487	2.0
128.06213	1.8
129.06963	7.9
131.08533	13.9
133.10104	38.4
135.08017	2.6
135.11665	20.5
137.09628	8.3
139.11169	1.9
142.07777	1.9
143.07027	5.6
143.08531	7.6
145.10074	14.4
147.11665	28.0
149.09587	4.0
149.13229	8.5
151.11104	4.4
157.10117	6.4
159.11646	6.9
161.09529	2.5
161.13240	6.9
163.11102	2.4
163.14793	3.3
165.12759	4.8
171.11690	13.5
173.13199	6.3
175.11086	2.4
175.14861	2.2
185.13164	1.5
187.14763	4.6
189.16376	5.0
199.09631	6.1
201.11154	5.5
203.14235	1.8
203.17892	13.4
213.16391	17.3
231.17426	22.0
233.18954	2.1
243.21173	1.6
249.18359	17.2
261.22025	7.0
286.20566	1.6
305.21033	8.2
323.18604	2.9
323.22107	35.9
335.25742	95.9
387.45779	1.9
412.23154	2.2
461.32321	2.7
583.43524	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	619.2755
Annotation	azadirachtin I
Peak:m/z	Relative Intensity
55.01868	1.8
55.05494	0.6
61.22467	0.4
64.24942	0.4
64.35728	0.4
67.05480	1.3
69.03416	1.1
69.07047	1.1
69.60349	0.3
70.06591	2.1
70.27462	1.7
71.04989	0.5
72.08133	1.4
79.05466	1.1
81.07040	1.3
84.04511	0.6
84.08120	1.4
85.02889	1.6
86.09691	2.3
88.03996	0.4
91.05465	1.5
93.07025	1.7
94.06539	0.9
95.04935	0.7
95.08591	1.1
97.02879	0.5
97.06577	0.5
98.05962	0.6
105.07008	0.6
107.08584	1.0
108.08117	3.6
109.10126	0.6
110.07150	0.6
110.09642	1.4
119.08581	0.8
120.08080	2.6
121.10127	0.6
122.06000	1.0
122.09644	1.4
123.04456	0.5
127.03862	0.5
129.10243	0.9
133.10159	0.9
134.06033	0.6
136.07559	31.3
137.07921	0.7
138.05516	0.5
138.11986	0.5
140.07021	1.8
145.10124	0.5
146.06068	0.6
148.04150	0.5
148.07559	1.4
150.09067	0.5
152.07034	1.2
160.03964	0.6
161.04788	0.6
162.05432	0.7
164.07048	9.0
166.08597	3.9
168.06607	0.6
176.07019	0.4
178.04959	2.5
182.09550	0.7
185.07063	0.7
186.09254	0.7
187.08772	0.6
191.64037	0.4
195.09135	0.7
197.10701	0.6
198.07774	0.5
199.08667	1.6
201.06607	3.1
201.10254	0.6
209.10657	0.7
210.09239	0.5
210.11299	0.9
211.08615	1.1
211.12253	0.5
213.06580	3.6
213.10182	3.1
214.10678	0.6
215.11838	0.4
219.07652	0.9
223.08630	0.8
223.12097	0.7
224.09250	2.0
225.10213	1.5
225.13924	1.3
227.08221	2.2
227.11729	1.6
229.09779	2.0
231.07649	2.5
237.10199	1.4
238.08664	0.5
238.10889	0.6
239.11765	1.5
240.12494	0.9
241.09685	4.3
241.13383	0.7
242.14119	0.9
243.11307	0.6
247.10724	0.4
251.08015	0.6
252.08832	0.6
253.13254	2.2
254.11722	1.1
255.07591	2.2
255.11261	3.4
255.14934	0.7
257.09253	0.9
257.12875	0.8
259.10605	0.9
265.09695	1.3
267.11081	0.5
269.09204	4.9
269.12891	0.8
271.10101	0.4
271.14398	1.2
273.08682	0.7
273.15897	3.5
275.10110	0.5
279.11197	0.6
281.12799	5.6
283.10727	7.5
285.12222	1.0
287.10269	1.4
287.13849	0.7
293.09189	1.2
297.12228	0.8
298.12973	0.6
299.13864	7.3
301.11749	1.2
303.13391	3.6
311.10229	33.8
311.13354	1.4
312.10535	1.0
313.11890	0.5
315.13391	1.8
329.11273	100.0
330.11594	3.3
394.81049	0.5
404.19647	0.5
418.93701	0.4
422.20798	1.3
432.18906	0.4
436.18323	0.7
438.20175	10.6
450.20236	6.8
452.21484	2.8
464.18323	0.6
469.93201	0.6
478.19296	1.4
479.19830	0.6
557.27118	0.6
575.27527	0.6
583.25372	1.8
601.26520	11.0
602.27069	0.5
619.26807	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	618.4715
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	6.0
55.05253	2.2
55.05501	26.6
57.03420	16.7
57.07051	5.8
65.03931	3.9
65.27971	1.5
67.05492	77.0
69.07053	16.2
71.04975	4.3
71.35208	3.3
79.05478	65.6
81.07042	65.8
83.04948	2.6
83.08606	12.1
85.06524	2.7
87.04452	14.5
91.05466	40.2
93.07030	70.9
95.04935	9.6
95.08588	52.5
97.06508	4.4
97.10148	6.9
99.08077	4.6
105.07011	30.5
105.54729	1.5
107.08574	37.7
109.06477	2.4
109.10128	28.8
111.08051	3.3
117.07004	10.1
119.08562	28.8
121.09309	2.2
121.10133	35.3
123.08073	3.4
123.11664	8.8
123.21664	1.4
125.09627	3.4
129.06976	3.6
131.08543	18.7
133.10098	24.2
135.07994	1.7
135.11656	21.8
137.09628	2.5
137.13138	2.1
139.11143	1.9
141.06981	1.7
143.08545	3.4
144.87509	1.7
145.10089	19.7
147.11678	20.1
149.09605	2.9
149.13239	11.0
151.11122	3.0
157.10086	3.6
159.11676	15.4
161.13205	8.7
163.11118	3.8
163.14807	2.0
165.12747	2.0
171.11632	5.8
173.11873	1.9
173.13182	7.8
175.14786	3.3
185.13219	4.0
187.14803	6.0
189.11234	2.6
201.16452	1.8
205.15973	1.7
205.19345	1.6
213.16365	3.6
215.17897	9.5
227.12640	2.4
229.14307	5.6
233.18973	6.7
241.19524	6.7
259.20422	13.2
277.21606	14.8
293.20892	2.6
307.22601	100.0
315.23181	1.9
333.24063	8.1
335.25745	4.5
351.25229	28.2
583.43390	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	618.472
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	8.0
55.01862	3.4
55.05499	30.8
57.03434	13.9
57.07067	11.0
65.03926	3.7
67.05498	78.7
69.07060	23.3
69.33159	16.1
69.33587	10.8
71.04980	6.3
79.05483	90.7
81.07048	73.1
83.04961	4.5
83.08600	15.3
85.06525	4.8
87.04460	46.1
91.05470	63.6
93.07034	100.0
95.04958	11.5
95.08599	53.1
97.06503	7.3
97.10158	7.8
99.08113	2.3
102.88046	2.6
105.04491	3.8
105.07013	66.8
107.08586	34.6
109.06523	4.2
109.10139	23.4
110.02719	2.5
111.08080	3.4
117.06988	20.1
119.08571	52.5
121.10134	37.5
123.08015	3.2
123.11698	7.4
125.09655	4.5
128.06311	3.3
129.07010	11.9
130.07794	3.4
131.08571	28.7
133.10115	50.5
135.11671	27.9
137.13258	3.2
142.07716	2.8
143.08545	11.3
145.10112	26.8
147.07942	3.3
147.11676	37.1
149.09587	3.2
149.13246	16.6
151.11108	3.2
155.00983	2.6
157.10129	11.6
159.11691	18.5
161.13217	18.5
171.11700	10.0
173.13286	17.6
175.14810	7.1
181.10164	3.6
185.13239	7.8
187.14827	6.1
189.16486	3.2
199.14783	5.5
201.16330	3.8
209.13359	2.8
211.14795	4.3
213.16403	7.4
215.17981	9.6
231.17476	9.6
231.21101	4.2
233.19035	5.0
241.19519	18.6
257.19083	3.1
259.20526	39.7
261.22098	4.2
295.73706	2.9
305.21036	2.7
307.22620	78.4
315.23047	5.1
333.24185	41.1
335.25781	7.2
401.14807	2.9
431.44205	4.5
520.40942	4.7
538.64948	2.5
565.42310	10.5
583.43524	24.8
618.42578	10.9
618.51715	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	618.4714
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33205	1.2
53.03945	4.1
53.52776	1.2
55.01862	2.0
55.05505	22.3
57.03420	18.0
57.07057	3.8
65.03928	3.7
66.66215	1.2
67.05494	71.4
69.07052	15.6
71.04974	3.6
73.81047	1.2
79.05481	70.4
81.07044	68.4
83.04964	3.0
83.08627	8.1
85.06542	3.6
87.04453	8.2
89.13432	1.3
91.05467	40.0
93.07030	72.1
95.04942	8.5
95.08592	42.7
97.06509	4.8
97.10138	6.5
99.08085	3.1
105.04473	2.1
105.07016	30.7
107.08579	33.1
107.09285	2.5
109.06507	2.6
109.10137	26.5
111.08084	2.0
117.06974	11.4
119.08562	24.0
119.09334	2.0
121.06487	1.6
121.10123	37.4
123.08028	3.5
123.11696	4.8
125.09616	4.3
129.06966	4.0
131.08542	16.0
133.10123	21.7
135.08041	3.6
135.11670	20.9
135.71780	1.5
137.09621	3.1
139.11176	1.8
143.08540	4.7
145.10094	16.0
147.11659	14.2
149.09592	2.1
149.13257	9.2
151.11087	2.2
157.10141	3.6
159.11681	12.6
161.13257	6.6
163.14864	2.1
171.11684	4.6
173.11838	2.9
173.13263	6.6
175.14870	2.5
184.48442	1.4
185.13254	3.3
187.14807	5.4
189.11172	3.1
197.13153	1.5
199.14757	2.2
203.14203	1.5
205.15886	1.9
213.16327	2.6
215.17880	10.5
229.14349	3.0
231.17416	2.7
231.21094	2.3
233.18925	6.8
241.19514	4.4
259.20480	13.7
277.21616	12.7
293.21344	1.5
307.22626	100.0
315.49634	1.2
333.24261	8.7
335.25720	4.1
351.25226	24.1
461.32870	1.7
492.98871	1.5
565.41699	1.8
583.43323	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	618.4717
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57914	2.6
51.02357	3.4
53.03931	6.0
55.01859	3.5
55.05503	32.5
57.03424	19.8
57.07070	16.4
67.05492	88.9
69.07059	26.3
69.18925	2.9
69.42767	14.8
69.43196	13.1
71.04961	8.7
75.35372	2.5
79.05478	86.9
79.64539	2.9
81.07047	82.7
83.04935	6.1
83.08596	18.9
85.06540	5.3
87.04450	54.3
88.02193	3.9
91.05464	100.0
93.07033	80.6
95.04957	11.2
95.08587	77.0
97.06525	7.1
97.10133	6.7
99.08086	3.9
105.07007	96.4
107.08577	43.2
109.06505	7.3
109.10136	26.3
111.08060	7.4
117.07024	24.0
117.93664	3.4
119.08563	65.1
121.06539	3.6
121.10123	44.4
123.11681	9.9
125.09490	3.4
128.06219	5.1
129.06976	25.6
130.37534	3.5
131.08530	43.8
133.10109	90.6
135.08037	5.2
135.11668	24.1
137.09619	3.9
141.06900	3.8
142.07745	4.9
143.08531	24.8
145.10106	35.7
147.07990	3.9
147.11673	56.0
149.09662	5.2
149.13216	9.3
151.11203	4.3
155.06950	3.1
155.08527	3.4
156.09354	3.3
157.10075	27.8
159.11623	18.8
161.13196	11.9
163.14813	5.6
169.10080	6.0
171.11638	31.5
173.11821	3.2
173.13234	11.5
175.14748	4.5
185.13214	11.2
187.14799	10.6
189.16345	7.4
201.16357	6.1
203.17912	15.4
213.16353	57.9
215.17931	10.1
229.15829	4.8
231.17395	74.0
233.18942	7.3
241.19518	3.8
257.18964	4.7
259.20499	6.2
261.21954	4.2
305.21048	33.3
307.22556	11.3
335.25735	67.5
565.42584	7.2
583.43341	31.7
618.41833	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	618.4268
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	6.5
55.01857	3.7
55.05505	47.7
57.03428	1.8
57.07079	9.6
57.07305	1.5
59.04978	2.3
65.03912	4.0
67.05495	29.5
69.03417	15.0
69.07061	20.3
69.61520	5.0
69.61932	8.0
71.04971	7.7
73.06541	1.9
77.03885	1.5
79.05481	30.3
81.03397	1.8
81.07050	48.0
83.04961	14.7
83.08604	64.6
85.02864	2.1
85.06532	9.1
87.04450	2.7
89.05991	4.6
91.05465	46.8
93.07027	67.0
93.07613	3.2
95.04953	30.9
95.08028	3.4
95.08590	37.5
97.06525	23.5
97.10136	3.1
98.20730	3.5
99.04442	6.2
103.05426	3.7
105.07015	100.0
107.04920	7.1
107.08577	68.3
109.06490	19.3
109.10129	27.7
111.08057	4.8
113.05980	1.7
113.09615	8.2
115.05435	5.5
117.06985	25.6
119.08562	84.3
120.05772	2.3
120.09322	3.7
121.06488	11.9
121.09299	2.9
121.10130	55.6
123.08058	21.6
123.11715	8.0
125.05944	1.9
125.09623	21.9
128.06190	12.4
128.30957	1.7
129.02249	1.9
129.07002	18.6
130.07813	8.9
131.08548	47.8
132.09273	5.2
133.06480	4.9
133.10109	55.0
134.10864	2.4
135.08035	12.4
135.11659	12.9
137.09543	5.8
139.11148	14.2
141.06958	7.6
142.07773	22.7
143.08545	49.5
144.09338	11.6
145.06468	6.5
145.10101	74.7
146.07285	1.8
146.10812	3.2
147.08089	13.4
147.11667	25.3
149.09602	14.9
149.13217	3.2
151.07507	4.3
151.11160	3.9
153.06975	4.9
153.09105	3.1
154.07761	3.5
155.08556	21.7
155.10617	16.1
156.09331	23.2
157.10107	61.8
158.10860	9.8
159.08043	17.1
159.11665	32.0
160.08820	11.4
160.12415	2.1
161.09596	16.1
161.13210	6.6
163.11172	8.8
165.07018	6.7
165.12698	3.5
166.07793	3.1
167.08614	12.1
167.10628	23.4
168.09288	6.9
168.11374	2.4
169.10103	36.9
169.12242	2.8
170.10873	12.7
171.08032	3.6
171.10114	5.7
171.11658	31.4
172.08743	2.7
172.12312	4.0
173.09628	9.9
173.13249	18.7
175.11180	13.6
175.14812	3.4
177.12665	3.0
179.08528	12.8
179.14275	5.8
180.09286	5.1
181.10101	19.0
181.12215	27.7
182.10939	12.8
182.12425	3.2
183.11697	29.2
183.13461	2.5
184.12405	6.1
185.09610	5.3
185.13232	20.2
186.10255	2.5
186.13948	4.1
187.11143	6.9
187.14789	9.2
189.12674	8.8
190.13435	3.4
191.08604	2.6
191.14272	12.5
192.09282	4.9
193.10114	17.1
194.10861	10.9
195.11671	28.5
195.13423	3.1
196.12421	12.1
197.09491	2.1
197.13229	34.8
198.13965	5.6
199.11128	5.9
199.14799	14.9
200.15370	2.7
201.12688	5.3
203.14284	6.1
206.10907	6.6
207.11644	15.4
207.13730	6.7
208.12395	9.7
208.14409	4.4
209.13283	23.4
209.15265	4.4
210.13933	6.3
211.11159	3.3
211.14796	16.7
212.11772	3.2
212.15518	3.0
213.12740	8.8
213.16409	4.9
215.14311	18.9
217.10176	3.2
217.15944	2.9
218.10777	3.5
218.16595	5.9
219.11606	7.0
219.13542	2.2
220.12383	6.6
221.13213	15.0
221.15359	22.6
222.13921	4.8
223.11205	3.6
223.14728	14.7
224.15553	2.8
225.12634	5.5
225.14818	22.2
225.16472	6.7
226.16954	2.0
227.14262	5.9
227.17961	2.3
231.11639	6.3
231.17461	3.6
232.12387	3.6
233.13164	7.6
233.15305	49.7
234.13823	3.6
234.15933	4.9
235.14815	13.5
236.15460	2.1
237.12737	2.8
237.16583	10.2
239.14317	4.3
239.17955	4.1
241.15889	4.2
243.17535	2.7
245.13271	5.3
245.15440	3.1
246.13878	4.0
246.16174	3.2
247.14684	5.2
247.16919	7.0
248.15401	2.3
249.16208	11.1
251.14397	2.5
251.17889	4.6
253.15874	4.2
253.19556	2.8
255.17381	33.2
257.18988	3.7
258.19812	2.1
259.14673	5.6
259.17102	2.1
260.15512	3.0
261.16360	9.3
263.17996	5.9
265.15961	1.8
265.19455	5.7
267.17380	3.4
268.18201	4.8
269.19006	8.9
270.19638	10.8
271.17191	2.9
271.20624	5.1
272.15533	2.5
273.15976	2.9
273.18427	6.2
274.16837	2.5
275.17819	5.3
277.19421	2.9
279.17615	2.9
281.18942	3.7
282.19516	3.7
283.20480	6.2
284.21088	2.1
285.18494	7.1
286.19269	5.7
287.19916	5.4
289.19391	5.1
291.21140	1.8
294.19528	2.9
295.20566	2.7
298.19263	2.5
299.19968	6.9
301.19141	2.6
303.20721	2.4
307.20590	3.9
311.20029	3.3
312.20905	3.3
315.21024	2.2
317.22458	2.4
329.22522	2.9
331.24326	2.2
334.22879	3.6
335.23776	2.6
337.25122	7.6
345.21954	2.1
347.23520	3.9
349.25253	5.0
352.23846	2.8
360.24579	2.4
365.24695	8.1
367.26334	9.7
373.25439	2.4
383.25681	15.6
399.27072	2.8
414.29071	3.4
417.27527	2.3
439.29959	4.3
457.31049	4.1
520.35022	2.7
582.40509	6.9
600.41229	8.0
618.42426	28.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	618.4268
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89869	1.6
53.03923	6.2
55.01862	5.6
55.05252	3.1
55.05501	42.3
57.07048	7.0
57.72693	1.9
59.04977	2.0
60.08154	2.4
65.03914	3.4
67.05173	1.8
67.05498	30.5
69.03102	2.0
69.03421	12.9
69.07059	21.0
70.07879	4.2
70.08274	10.3
71.04990	11.5
79.05482	38.8
80.20986	2.1
81.07042	48.0
83.04971	19.5
83.08604	61.5
85.06525	7.6
86.09677	5.4
87.04432	3.5
91.05456	47.0
93.07026	63.3
93.07612	3.4
93.89085	2.0
95.04960	29.4
95.08590	33.8
97.06521	20.9
97.10115	2.6
99.04433	4.3
103.05441	4.7
104.10725	40.3
105.07011	100.0
106.07800	3.4
107.04942	6.2
107.08575	67.9
109.06511	16.3
109.10121	25.6
111.08043	8.2
112.21991	1.9
113.06018	2.2
113.09608	13.2
115.05426	7.2
116.06239	3.0
117.06974	17.2
118.07793	2.2
119.04963	4.6
119.08558	76.6
120.09312	3.7
121.05766	2.0
121.06484	12.6
121.10120	49.2
123.08041	17.3
123.11689	8.4
125.09602	22.9
128.06181	12.1
129.06979	21.3
130.07756	7.3
131.08549	41.2
132.09325	6.4
133.06453	4.3
133.10101	49.9
135.08040	15.3
135.11697	10.8
136.08818	2.5
137.09619	6.3
139.11160	12.5
141.06917	10.1
142.07771	24.2
143.08530	49.3
144.09317	16.8
145.06476	8.3
145.10103	72.7
145.11258	3.4
146.07249	2.5
146.10820	2.6
147.08054	12.8
147.11664	22.6
148.08731	2.5
149.09587	15.0
149.13086	2.4
151.11137	2.6
153.06953	2.6
154.07623	3.5
154.35818	1.8
155.08521	18.6
155.10594	16.9
156.09319	19.6
157.10106	56.6
158.10806	8.0
159.08038	15.5
159.11668	34.0
160.08817	15.9
161.09570	15.2
161.13187	6.5
163.11182	8.0
164.55405	2.3
165.06979	7.8
165.09006	2.5
165.12607	2.5
166.07794	3.6
167.08479	11.0
167.10634	23.6
168.09302	5.2
169.10100	38.4
170.10910	10.9
171.08003	3.8
171.10188	4.7
171.11621	37.4
172.12375	3.4
173.09532	9.9
173.13243	19.0
175.11090	15.3
175.14769	3.7
177.10910	1.9
177.12697	4.0
178.07643	2.4
179.08502	10.3
179.14304	5.6
180.09265	8.0
181.10208	16.7
181.12173	28.7
182.10925	14.3
183.08037	2.2
183.11652	30.7
183.13593	3.4
184.12390	8.4
185.09595	7.4
185.13229	22.2
186.14008	5.0
187.11179	4.7
187.14778	8.5
187.40935	2.4
189.12674	6.8
190.13489	4.9
191.14243	9.8
192.09348	2.8
193.10091	13.0
194.10786	8.8
195.11670	25.0
196.12440	10.2
197.09576	4.8
197.13237	38.5
198.14008	3.8
198.96837	4.3
199.11189	6.3
199.14818	15.0
201.16243	4.1
203.08492	2.3
203.14284	7.1
205.10036	6.3
206.10825	6.6
207.11653	14.8
207.13554	4.3
208.12448	8.9
208.14378	4.0
209.13206	26.4
209.15294	5.9
210.13936	7.8
211.11234	2.2
211.14748	19.8
212.11992	2.8
212.15483	2.3
213.12717	8.9
213.16301	8.5
215.14207	23.0
216.14845	2.4
216.97760	3.7
217.10127	5.0
217.15913	3.3
218.10851	2.5
218.16753	2.5
219.11650	7.0
219.13593	2.8
220.12428	8.6
221.13199	15.9
221.15343	27.3
222.14030	4.9
223.14830	14.0
224.15669	2.7
225.12694	6.0
225.14781	11.9
225.16476	6.0
227.14233	9.0
229.15791	4.1
230.16608	2.5
231.11671	4.5
231.17476	3.5
233.13216	6.2
233.15314	46.2
234.13953	4.1
234.16093	4.2
235.14809	15.2
235.16814	3.4
236.15477	3.5
237.16443	11.9
237.71832	2.4
239.14229	6.1
239.17938	3.6
241.15788	5.6
243.11543	2.8
243.17403	3.3
244.12370	2.8
245.13168	4.0
245.15535	2.8
246.14006	5.2
246.16260	2.6
247.14760	6.4
247.16911	7.6
248.15529	2.6
249.16190	10.6
251.14195	2.8
251.17891	7.5
253.15816	6.9
253.19466	2.4
255.17426	32.2
257.13095	2.8
257.19061	2.6
258.13968	2.6
258.19711	2.4
259.14728	5.1
260.15323	3.7
261.16306	8.8
263.17999	11.4
265.19553	6.2
267.17355	5.2
269.18948	5.3
270.19696	10.2
271.17130	3.7
271.20477	6.4
273.18481	7.9
275.17758	4.1
275.20340	3.0
276.18646	2.7
277.19443	4.0
278.19928	2.6
281.18881	3.8
282.19666	3.4
283.01938	4.7
283.20566	4.8
285.18454	5.1
286.19290	8.0
287.20276	3.6
289.19388	4.1
291.20456	2.5
293.18817	3.0
295.20618	4.3
296.21298	2.3
297.21970	2.5
298.19214	2.6
299.20035	6.7
303.20621	3.4
307.20520	3.1
309.21994	2.6
311.20145	5.3
315.20963	3.6
319.19437	3.2
322.22632	3.4
334.22736	2.6
335.23535	2.3
337.20483	6.2
337.25183	6.3
345.22055	3.1
347.23541	6.0
348.24377	2.5
349.25241	5.0
351.22919	2.4
359.23065	2.8
360.24194	2.6
361.25223	3.8
364.23581	3.5
365.24728	11.7
367.26108	6.6
373.24930	2.6
383.25778	15.9
399.26678	2.3
414.28735	4.8
429.31802	3.0
457.30634	5.4
502.26053	2.9
558.28613	3.8
567.37415	2.4
582.40442	5.6
600.41309	8.3
618.31323	5.0
618.42334	34.0
619.27692	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	618.4268
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52284	1.8
53.03938	4.3
54.91991	1.8
55.01878	5.1
55.05252	3.8
55.05503	54.5
55.74422	2.1
57.03386	2.1
57.07062	14.7
57.80673	2.3
59.04982	3.4
63.83928	2.2
65.03935	3.9
66.98698	2.1
67.05496	32.5
69.03430	13.0
69.07056	16.6
70.58314	4.8
70.58637	2.4
71.04974	10.4
79.05486	34.3
81.03427	2.9
81.07045	62.9
83.04983	18.3
83.08610	73.0
84.08969	2.1
85.06537	11.9
85.16398	1.9
87.00571	1.9
87.04461	2.8
91.05466	52.8
92.06234	2.5
93.06455	4.8
93.07031	75.1
95.04959	33.0
95.08595	44.4
97.06518	26.2
97.10155	2.1
99.04438	6.3
103.05460	2.9
105.07016	98.2
106.07854	4.4
107.04942	6.0
107.08580	78.3
108.05685	2.0
108.09369	3.3
109.06492	25.5
109.10143	28.3
111.08067	8.7
113.05982	3.8
113.09627	15.0
115.05422	7.2
116.06231	3.6
117.07005	27.6
119.08571	100.0
120.09361	4.0
121.06484	13.6
121.09292	3.5
121.10121	47.2
123.08052	30.2
123.11680	8.9
125.05939	5.7
125.09623	24.2
128.06210	15.6
129.06999	25.6
130.07762	9.3
131.08553	57.1
132.09317	7.1
133.06485	5.1
133.08591	3.0
133.10118	57.4
133.11017	2.0
135.08064	20.0
135.11682	12.2
137.05937	2.3
137.09598	10.5
139.07565	2.0
139.11160	13.3
141.06960	8.3
142.07742	21.2
143.08551	60.2
144.09351	15.5
145.06459	8.1
145.10103	96.8
146.10805	4.7
147.08028	20.9
147.11658	23.3
149.09604	18.9
151.07501	7.9
151.11182	2.6
153.06963	4.5
153.09033	3.2
153.12740	2.3
154.07692	2.5
155.08519	22.2
155.10594	15.7
156.09340	21.6
157.10106	72.1
158.10921	11.8
159.08046	16.9
159.11665	48.0
160.08807	17.5
160.12244	2.2
161.09587	14.5
161.13255	9.4
163.11169	12.9
165.06970	3.8
165.09120	24.0
165.12694	3.8
167.08539	10.8
167.10612	12.6
168.09276	6.5
169.10100	31.8
170.10817	11.8
171.10143	6.1
171.11632	44.7
172.12427	6.8
173.09639	11.6
173.13237	18.3
174.10332	3.8
175.11180	16.6
175.14806	8.0
177.12769	4.1
178.07741	2.7
179.08514	8.4
179.14326	8.0
180.09302	4.7
181.10156	18.0
181.12212	31.7
182.10889	9.6
183.11664	34.3
183.13634	3.5
184.12376	8.0
185.09583	4.1
185.13214	26.2
186.13956	6.1
187.11203	11.4
187.14813	11.9
188.11966	2.2
189.12685	12.0
190.13509	5.5
191.14297	8.3
192.09276	4.6
193.10097	14.1
193.12236	7.2
194.10854	7.7
195.11694	28.5
195.13615	3.7
196.12425	11.3
197.13228	39.2
198.10397	2.9
198.13887	3.2
199.11176	6.8
199.14729	9.9
200.15656	3.5
201.12733	6.1
201.16295	5.8
203.08495	2.5
203.14320	13.0
205.10112	5.1
206.10835	6.0
207.11678	16.9
207.13780	11.8
208.12361	6.6
208.14531	10.1
209.13216	22.2
209.15204	3.6
210.13840	5.3
211.11176	3.4
211.14815	20.0
212.12016	2.6
213.12770	10.1
213.16365	6.4
215.14340	12.6
217.10156	3.2
217.15822	2.8
218.10788	2.1
219.11700	5.8
219.13609	2.9
220.12370	4.7
221.13196	17.3
221.15358	67.2
221.17542	3.2
222.13927	2.9
223.11118	2.9
223.14804	16.4
224.12126	2.8
224.15443	3.9
225.12781	4.4
225.14819	26.7
225.16209	4.1
227.14325	4.2
227.17952	3.6
229.15741	3.6
231.11639	3.5
231.13748	5.4
232.12483	3.0
233.13206	7.2
233.15298	33.5
234.16022	14.8
235.11147	2.6
235.14764	11.7
236.15405	2.2
237.12668	4.8
237.16463	11.1
239.17960	5.6
241.15779	4.4
243.17456	3.6
245.15334	3.4
246.13899	4.2
246.16142	4.4
247.14754	5.0
247.16895	12.3
248.15337	2.6
249.12500	2.8
249.16360	9.7
251.14212	3.5
251.17970	6.1
253.16002	3.8
255.17401	16.4
257.18961	3.1
259.14505	3.5
260.15585	3.9
261.16336	6.5
263.17911	8.4
265.19415	6.7
267.17502	2.8
269.18851	6.2
270.19656	5.8
271.17047	4.1
273.18472	7.7
274.19278	4.3
275.17902	7.4
277.19440	3.5
279.17261	2.8
281.19040	6.0
282.19751	3.2
285.18436	6.7
285.21875	3.1
286.19214	8.8
287.20068	36.1
289.19696	4.1
291.17206	2.9
295.20410	5.1
297.18448	4.6
299.20285	12.8
307.20447	3.3
309.21780	3.6
311.20129	3.1
312.20752	4.2
313.21896	3.1
322.22876	2.3
325.21527	9.7
331.24323	2.8
334.22876	2.8
337.21552	6.9
337.25003	3.8
339.23178	3.9
347.23511	3.0
349.25122	3.4
352.23938	61.7
353.24503	3.5
359.23633	2.8
360.24356	2.3
365.24838	12.7
367.26169	7.6
373.25146	2.8
379.26303	2.9
383.25739	8.4
391.26053	2.7
395.25616	3.6
414.28958	4.0
418.00305	2.4
419.29248	2.9
432.29861	2.4
438.30545	2.5
457.31100	3.0
472.31903	6.6
475.31619	2.5
508.35110	2.4
525.35724	10.6
526.36078	2.5
538.36523	87.6
539.37012	4.7
582.40161	6.1
599.65973	2.8
600.41370	11.3
618.33020	2.8
618.42621	43.3
619.43195	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	618.4256
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57536	1.8
50.82814	2.2
53.03929	6.1
55.01873	4.8
55.05503	27.3
57.03402	2.5
57.07067	9.5
59.04986	2.6
65.03923	2.0
67.05494	27.2
68.05831	3.5
69.03423	11.2
69.07050	10.0
71.04980	8.5
71.61041	3.7
79.05484	22.7
80.05824	2.3
80.19022	1.7
81.03411	11.2
81.07050	32.2
82.07381	4.1
83.04964	10.5
83.08609	40.2
84.08961	2.0
85.02894	4.7
85.06520	5.6
87.04456	32.5
89.06017	2.0
91.05465	31.0
93.07029	45.1
94.07344	2.9
95.04955	13.9
95.08584	26.2
96.08907	3.0
97.02888	6.5
97.06528	16.1
97.10151	1.9
99.04438	6.1
99.08025	2.2
103.05444	3.6
105.07016	44.9
106.07333	2.5
107.04951	5.4
107.08575	41.9
108.08893	4.6
109.06518	7.3
109.10140	21.0
111.08071	4.2
113.09631	4.4
115.05431	2.9
116.06191	1.8
117.06979	12.7
119.08562	43.4
119.11507	2.1
120.09406	2.9
121.06502	7.5
121.10135	26.0
122.10448	2.3
123.04440	4.4
123.08047	21.6
123.11705	4.3
125.05953	6.6
125.09617	10.6
127.83649	1.7
128.06218	6.4
129.05437	1.8
129.06967	8.1
129.09061	2.4
130.07755	4.4
131.08545	27.8
131.53203	1.8
133.06480	3.2
133.10112	29.7
134.10490	2.2
135.00792	1.9
135.08032	5.5
135.11662	11.2
136.08841	2.5
136.11981	2.9
137.09610	5.3
139.11127	4.3
142.07733	9.0
143.08534	21.0
144.09280	5.6
145.06517	3.4
145.10106	34.5
146.10588	2.0
147.08041	5.0
147.11705	15.5
148.12035	2.3
149.05986	22.9
149.09570	6.4
149.13220	2.8
150.06294	6.3
151.07513	6.4
151.11177	2.1
155.08522	11.7
155.10631	11.8
156.09352	10.1
157.10118	35.2
158.10820	8.8
159.08072	4.0
159.11702	21.8
160.08861	11.5
161.09631	6.4
161.13248	4.7
163.11160	6.7
165.06914	2.6
165.09142	6.5
167.07040	7.4
167.08510	4.4
167.10660	3.2
168.09294	3.0
169.10139	14.8
170.10808	4.2
171.10178	3.8
171.11674	16.4
173.09622	3.8
173.13171	14.2
174.13631	2.1
175.11217	7.5
175.14818	5.2
177.05440	34.5
177.12787	2.4
178.05817	15.7
178.07489	2.1
179.08514	3.7
179.14299	3.5
181.10088	8.7
181.12164	11.4
182.10796	4.1
183.11647	12.2
184.12413	3.6
185.09695	3.1
185.13220	10.7
186.13966	3.4
187.11143	3.5
187.14833	5.3
189.12749	4.0
191.14307	4.8
193.10089	8.3
194.10870	2.7
195.06506	100.0
195.11662	13.3
195.13680	2.4
196.06828	41.2
196.12227	2.3
197.11658	3.8
197.13237	14.3
198.13841	3.0
199.11206	2.5
199.14796	8.6
203.14337	3.8
207.11678	5.1
207.13741	4.0
208.12395	5.5
208.14278	2.2
209.13251	11.8
210.13927	3.5
211.14787	7.7
212.15309	3.2
213.12802	3.1
213.16447	3.8
215.14270	2.1
217.15839	2.0
219.13876	2.8
220.12402	2.3
221.13231	7.1
221.15356	17.4
222.15704	5.9
223.14870	10.5
224.15479	2.2
225.14667	18.5
226.16924	2.0
232.12280	2.3
233.13266	3.5
233.15257	10.0
234.16161	4.4
235.14856	5.6
237.16461	2.7
247.14713	2.6
247.17029	2.9
249.16347	3.6
255.17490	2.0
259.20737	2.1
261.16345	3.5
261.22067	2.1
263.17938	2.4
273.18555	3.6
274.19321	2.4
275.17490	2.9
285.22073	2.1
286.19257	4.6
287.19977	5.6
299.20081	4.6
352.23859	5.7
365.25003	2.4
453.47269	2.5
477.45081	2.7
525.35541	4.0
538.36481	10.0
582.40656	3.2
600.41266	8.0
618.42450	27.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	618.4269
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83563	0.9
53.03928	2.1
55.01864	1.4
55.05255	1.6
55.05499	17.8
57.06867	0.7
57.07073	8.9
58.41489	0.9
59.04978	1.6
65.03915	1.3
66.54026	0.9
67.05491	11.4
69.03420	6.0
69.07059	5.9
71.04974	3.4
71.08310	2.3
72.25266	0.8
73.69136	0.8
77.03912	1.0
79.05479	12.3
81.03415	1.0
81.07047	23.2
83.04967	6.4
83.08603	27.8
85.06525	5.2
87.04449	12.6
91.05464	19.3
93.07027	28.1
94.07318	1.2
95.04955	13.8
95.08588	15.9
97.06519	8.0
99.04446	2.8
103.05455	2.2
105.07014	40.2
107.04938	1.8
107.08578	26.9
108.08902	1.0
109.06496	10.4
109.10131	8.0
111.08071	3.2
113.09636	4.3
115.05445	2.0
117.07002	9.4
119.08562	37.4
120.09338	2.5
121.06483	5.2
121.10121	16.2
123.08057	15.1
123.11736	1.4
125.05960	2.3
125.09579	6.1
128.06206	3.3
129.06972	9.5
130.07755	3.8
131.08559	26.1
132.09319	1.6
133.06454	3.2
133.08604	1.0
133.10115	22.0
135.08035	9.8
135.11658	5.5
137.05905	1.1
137.09598	5.9
139.07501	1.9
139.11154	3.9
141.06967	3.0
142.07767	9.5
142.21301	0.9
143.08536	17.5
144.09370	6.8
145.06465	3.7
145.10098	35.7
146.07140	1.1
146.10817	2.4
147.08029	13.1
147.11708	7.7
149.09573	7.6
151.07506	8.6
151.11073	1.5
153.07005	1.4
153.09067	1.1
153.12700	0.8
154.07756	1.7
155.08545	7.0
155.10620	2.1
156.09291	5.8
157.10107	28.8
158.10789	3.9
159.08037	4.7
159.11659	17.2
160.08812	8.2
160.12401	1.1
161.09589	6.0
161.13214	3.9
162.10333	1.3
163.11174	8.2
165.06990	1.6
165.09070	19.4
167.08566	4.4
167.10608	2.8
168.09294	3.2
169.10109	10.7
170.10875	4.6
171.07852	1.3
171.10178	2.6
171.11626	15.8
172.12436	4.2
173.09621	4.8
173.13197	7.5
174.10432	1.3
175.11166	9.0
175.14769	1.5
177.09100	2.1
177.12709	1.9
178.09804	1.4
179.08528	3.5
179.10585	1.6
179.14343	2.4
180.09299	1.7
181.10106	5.3
181.12192	13.0
182.10893	3.2
183.11676	10.9
184.12350	3.1
185.09682	2.6
185.13217	9.1
186.10324	1.2
187.11147	4.0
187.14798	3.7
189.12695	6.6
190.13530	5.5
191.10631	1.7
191.14247	2.5
192.09314	1.3
193.10123	3.9
193.12126	5.0
194.10800	2.7
195.11703	9.8
195.13640	1.6
196.12418	3.1
197.09666	1.4
197.13229	10.6
198.10272	1.5
198.13977	1.4
199.11186	2.8
199.14761	3.6
200.11841	1.0
200.15350	1.1
201.12700	4.0
203.14261	9.3
207.11693	4.1
207.13794	7.4
208.12561	1.9
208.14545	9.6
209.09770	1.1
209.13269	9.5
209.15114	1.5
210.10257	1.0
210.13904	1.0
211.11122	2.4
211.14845	6.9
213.12677	5.0
213.16328	2.3
215.10661	1.4
215.14299	1.7
219.13806	3.7
221.13293	3.1
221.15309	47.5
222.13905	1.4
222.15887	1.4
223.11195	1.8
223.14766	5.3
224.15535	2.2
225.12730	2.2
225.14809	8.2
225.16693	1.6
227.14363	1.1
227.17873	1.5
229.15845	2.0
231.11777	1.3
231.13847	2.4
233.13380	1.2
233.15356	8.3
234.16061	10.0
235.14789	2.4
235.16872	1.4
237.12726	2.9
237.16319	3.4
239.14331	1.6
239.17876	1.7
241.15880	1.2
243.13765	1.6
245.13254	1.1
245.15408	1.4
246.16148	1.3
247.14673	1.9
247.16931	8.6
248.15291	0.9
249.16318	2.6
251.14200	1.1
251.17981	1.2
253.15808	2.4
255.17316	1.4
259.17023	1.1
261.16232	1.4
263.14105	1.0
267.17426	1.7
269.18997	2.5
271.16998	2.2
273.18393	3.3
274.19257	2.1
279.17459	1.8
281.18912	1.3
283.17029	1.1
285.18561	1.0
286.19421	4.3
287.20007	31.2
288.20547	1.1
296.17377	1.0
297.18594	2.2
298.19379	1.6
299.20032	8.6
300.20673	1.6
303.19598	3.0
309.18259	1.1
310.18878	1.5
311.20023	3.1
312.20776	3.9
313.21515	4.2
319.20468	2.2
325.21628	9.8
329.21207	4.1
337.21515	5.8
339.23114	3.1
352.23895	60.6
353.24442	3.5
363.23032	1.2
365.24570	9.7
367.26199	2.9
378.25339	1.7
391.26123	1.5
395.25693	4.7
438.30972	1.6
446.29990	2.0
472.31757	6.0
520.35291	1.8
525.35498	7.9
526.35876	1.2
538.36450	100.0
539.36737	4.2
583.41284	1.1
600.41254	3.8
618.42487	20.2
619.43640	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	618.4263
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	2.6
52.73339	1.7
53.03932	5.5
55.01849	9.0
55.05258	3.9
55.05503	49.4
57.07060	12.2
59.04992	5.2
65.03918	4.9
67.05164	3.3
67.05496	34.9
69.03427	12.2
69.07064	17.7
70.71677	7.0
71.04979	13.1
77.03924	3.1
79.05482	40.5
80.06258	2.3
81.03397	2.3
81.06569	3.5
81.07047	64.2
83.04971	16.5
83.08609	84.2
83.09105	5.0
83.76743	1.8
85.02926	3.5
85.06540	14.0
87.04442	7.9
91.05469	56.6
92.05750	3.0
93.07031	81.7
94.07351	5.2
95.04959	31.5
95.08036	3.4
95.08593	45.6
96.08926	3.4
97.06519	26.4
97.10166	3.1
99.04435	4.8
101.61215	2.1
103.05456	6.4
105.04533	2.9
105.07017	100.0
106.07311	3.2
107.04937	6.1
107.08582	83.5
109.06524	23.5
109.10138	34.1
111.04391	2.8
111.08051	8.5
113.05985	4.9
113.09621	14.7
115.05433	7.5
117.07006	27.8
119.04928	3.1
119.08569	99.9
120.09357	4.4
121.06482	13.0
121.09305	3.9
121.10130	64.7
122.10439	3.2
123.08051	38.7
123.11678	8.8
125.05943	2.4
125.09612	23.3
127.11138	2.7
128.06221	15.7
129.06990	24.5
130.07832	11.9
131.08557	52.3
132.09328	4.1
133.06548	4.2
133.10117	58.2
134.10889	3.8
135.08041	12.3
135.11717	14.3
137.09592	13.0
139.11174	19.4
140.11523	2.5
141.07027	11.3
142.07758	25.9
143.08545	53.1
144.09329	16.4
145.06499	10.8
145.10110	91.3
146.07211	2.3
146.10832	5.0
147.08040	15.1
147.11687	30.4
149.09610	18.1
149.13225	4.1
151.07510	6.0
151.11133	2.9
153.06987	3.2
153.12698	2.5
154.07797	4.8
155.08571	23.8
155.10629	21.1
156.09328	22.3
157.10110	73.0
158.10854	15.8
159.08017	19.5
159.11681	41.6
160.08829	18.3
160.12297	4.6
161.09576	13.6
161.13222	8.0
162.10304	2.6
163.11136	11.1
165.07036	7.7
165.09097	7.9
165.12761	4.5
166.07666	4.0
166.09377	2.2
167.08546	12.2
167.10655	27.2
168.09254	6.2
168.10947	4.2
169.10106	37.6
170.10822	8.9
171.07970	3.2
171.10126	5.8
171.11639	48.7
172.12192	5.1
173.09549	8.0
173.13254	23.9
175.11168	11.4
175.14783	9.0
177.12750	3.7
179.08530	13.5
179.10527	2.6
179.14240	8.8
180.09277	7.1
181.10097	21.2
181.12209	34.7
182.10915	15.7
182.12468	3.5
183.08011	2.6
183.11671	36.0
183.13538	2.9
183.63416	2.6
184.12363	6.5
185.09593	3.4
185.13255	25.6
186.13924	6.2
187.11179	7.6
187.14787	11.4
189.12677	7.2
190.13501	4.3
191.08549	2.2
191.14276	10.4
192.09335	2.7
193.10109	13.7
193.15793	2.6
194.10895	9.8
195.11650	28.4
195.13658	5.2
196.12421	11.3
197.09650	2.8
197.13210	38.9
198.13921	5.7
199.11069	3.7
199.14804	18.9
201.12692	4.9
201.16327	6.0
203.14301	6.1
205.10043	3.5
206.10822	7.5
207.11641	19.0
207.13754	7.6
208.12402	8.5
208.14453	5.1
209.13271	35.6
209.15273	6.3
210.13824	9.4
211.11151	4.6
211.14784	23.7
212.15332	4.5
213.12738	7.3
213.16336	7.5
215.14273	13.5
217.15831	5.9
218.16537	2.5
219.11682	7.5
220.12387	5.4
221.13214	17.4
221.15355	32.1
222.13876	5.2
222.15729	5.2
223.11131	3.4
223.14703	16.8
225.12741	3.9
225.14561	25.2
225.16457	7.3
227.14238	6.3
227.18047	3.0
229.15836	4.9
231.11633	4.0
231.17459	2.8
233.13129	7.3
233.15286	33.3
234.16025	7.7
235.14766	12.1
235.16879	4.0
236.15399	2.9
237.16629	10.5
239.14288	2.8
239.17950	4.6
241.15755	4.3
243.17297	4.2
245.13136	3.6
246.13922	3.0
246.16252	3.0
247.14777	7.5
247.16940	6.7
248.15471	3.3
249.16319	8.4
250.17186	3.6
251.14311	5.1
251.17900	6.9
253.15834	4.2
253.19368	3.5
255.17426	17.9
257.18863	5.1
259.14758	4.1
261.16284	6.2
263.17865	8.0
264.18369	2.7
265.19452	5.5
267.17438	4.9
269.18906	4.3
270.19818	4.5
271.20474	3.4
273.18448	7.5
275.17603	5.0
277.19629	3.7
281.18942	7.2
282.19501	3.0
283.20593	4.3
285.18634	4.4
285.22000	3.7
286.19260	6.7
287.20343	4.2
289.19492	4.3
291.20911	3.4
295.20554	3.3
299.20001	9.0
300.20728	2.6
303.20541	2.4
311.20023	4.3
312.20779	2.9
334.22855	2.8
337.25211	4.9
345.22183	3.5
349.25290	4.1
352.23770	3.6
353.24658	2.6
360.24112	3.3
361.24979	3.7
365.24832	5.4
367.26492	9.8
380.27289	3.7
383.25729	7.0
414.29230	2.4
432.30161	3.5
457.31305	3.2
490.34106	3.7
506.34430	2.5
508.35031	3.1
538.36230	5.5
582.40430	5.6
600.41522	11.7
618.42633	42.5
619.30859	6.1
619.42401	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	618.426
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	7.5
55.05504	67.3
56.44091	5.2
56.44392	6.0
57.07055	24.8
59.04985	5.3
63.45256	5.3
67.05492	41.0
69.03409	8.9
69.07044	19.9
71.04963	16.5
71.10130	5.5
71.63860	10.5
71.88167	6.5
79.05487	38.6
81.07039	65.1
83.04941	24.1
83.08604	78.0
85.06516	10.7
87.04456	94.4
88.15558	6.0
91.05457	57.0
93.07031	74.1
95.04945	36.6
95.08586	46.0
97.06517	31.4
102.99015	5.9
105.07015	100.0
107.04929	8.9
107.08584	86.0
109.06509	17.3
109.10125	35.2
111.08044	8.8
112.87706	6.1
113.09596	12.8
115.05459	8.5
117.06999	25.1
119.08575	96.5
121.06503	15.3
121.10130	73.4
123.08064	41.5
123.11656	8.9
125.09600	17.6
128.06183	12.1
129.06953	22.9
130.07797	9.6
131.08543	59.1
132.09370	9.3
133.10103	52.7
135.08015	18.7
135.11655	13.3
137.09630	17.1
139.11162	15.3
141.06924	8.6
142.07762	25.0
143.08553	50.0
144.09300	18.9
145.06392	6.7
145.10118	87.3
146.10725	5.8
146.45929	7.2
146.92877	5.6
147.08011	23.0
147.11658	24.4
149.09550	13.5
151.07481	12.1
153.06924	5.9
154.52921	5.8
155.08560	16.5
155.10612	17.2
156.09299	23.8
157.10103	65.2
158.10825	15.4
159.08028	12.0
159.11687	51.7
160.08788	24.8
160.12355	5.7
161.09615	9.4
161.13194	8.3
163.11171	17.0
165.09148	18.1
166.09311	7.7
167.08516	11.1
167.10657	15.3
169.10118	30.4
170.10857	12.0
171.11668	46.6
172.12402	6.2
173.13197	27.6
175.11142	21.1
179.08513	15.2
180.09341	7.4
181.10109	16.9
181.12247	32.5
182.10791	12.2
183.11642	31.3
183.13849	6.7
184.12445	8.9
185.09612	6.6
185.13214	26.4
187.11192	8.3
187.14827	11.0
189.12773	11.3
190.13179	6.3
191.10619	7.1
191.14291	7.7
193.09996	11.2
193.12212	8.9
195.11678	26.2
195.13678	8.1
197.13199	23.4
199.11205	7.5
199.14807	16.1
201.12692	7.6
203.14313	9.5
207.11702	7.2
207.13809	12.7
208.12407	11.4
208.14465	17.4
209.13190	25.6
210.13750	6.1
211.14787	22.4
213.16437	8.2
215.14279	6.2
217.15912	6.4
221.13319	10.7
221.15308	63.3
222.15800	9.6
223.14803	21.6
225.14575	27.0
233.13083	7.6
233.15324	19.0
234.16042	11.7
235.14856	9.1
237.12642	9.4
239.17905	8.7
242.08069	16.6
245.71581	6.7
247.14761	9.5
249.16330	7.9
251.17990	7.2
255.17139	7.1
257.18808	6.3
286.19138	6.3
287.19940	18.6
291.20673	6.0
299.19995	14.4
325.21619	7.2
352.23996	31.9
365.24750	8.6
412.24915	28.9
508.34497	6.6
525.35461	13.3
531.17114	6.9
538.36407	61.8
582.39630	6.3
600.41058	21.6
618.42572	75.3
619.43738	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	617.4191
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	6.6
53.34584	2.2
55.01854	4.0
55.05502	27.8
57.03403	3.1
57.07068	18.4
59.04979	3.1
61.19224	2.4
65.03921	5.7
67.05491	33.5
69.03417	15.0
69.07058	27.3
69.41633	5.1
69.42044	19.9
71.04967	4.6
79.05477	40.6
81.03419	2.5
81.07043	59.8
83.04969	26.4
83.08608	24.0
85.02900	3.0
85.06526	9.1
87.04444	5.2
91.05468	60.1
93.07030	82.0
93.13766	2.1
95.04953	30.2
95.08600	47.8
97.06521	24.1
98.21559	3.5
103.05405	3.3
105.07014	100.0
106.25614	2.1
107.04967	5.2
107.08578	70.4
107.23694	2.5
109.06500	28.8
109.10142	39.1
111.08060	8.9
111.11703	3.3
113.09615	5.1
115.05441	7.5
115.70071	2.0
117.06982	23.2
119.08568	79.0
121.06480	14.8
121.10125	92.6
123.08057	23.9
123.11694	16.0
125.05969	26.0
125.09612	18.5
128.06213	12.2
128.43925	2.6
129.06964	19.7
130.07742	12.5
131.07578	2.8
131.08554	56.3
132.09317	2.5
133.06468	8.2
133.10115	56.7
135.08041	20.2
135.11644	19.4
137.09563	11.5
139.11150	10.8
141.06978	8.7
142.07777	23.0
143.08543	51.1
144.09305	11.3
145.06407	6.2
145.10106	85.9
147.08035	19.3
147.11642	20.3
149.09604	27.0
149.13217	3.6
151.07501	8.0
151.11145	8.7
153.06981	3.9
154.07733	4.4
155.08530	16.6
155.10620	8.3
156.09308	16.0
157.10115	61.4
158.10843	5.2
159.08018	14.2
159.11665	39.7
160.08777	3.4
161.09628	14.4
161.13255	5.6
163.11169	39.9
165.06976	7.2
165.09088	12.1
165.12755	2.8
166.07797	4.0
167.08563	12.8
167.10649	87.8
168.09308	8.8
169.10072	31.4
170.10898	5.3
171.11662	28.5
173.09633	8.8
173.13254	20.7
175.11176	15.2
175.14792	6.0
177.12790	3.2
179.08533	12.7
179.10619	4.9
179.14217	2.6
180.09192	6.2
181.10078	18.0
181.12210	39.9
182.10849	10.2
183.11649	25.5
184.12502	3.7
185.09564	6.2
185.13243	15.7
187.11142	7.8
187.14751	7.1
189.12669	12.1
191.14345	4.0
193.10141	16.1
194.10939	6.2
195.11691	25.2
196.12434	4.8
197.09567	2.5
197.13208	24.0
199.11156	4.6
199.14839	9.5
201.12723	8.9
203.14264	12.3
205.10139	5.3
206.10861	4.7
207.11646	16.1
207.13748	7.2
208.12418	4.9
209.13228	23.1
211.11134	5.3
211.14751	14.8
213.12703	6.3
213.16321	6.5
215.14281	11.9
217.10074	3.9
217.15790	3.6
219.11630	5.8
219.13612	4.2
221.13162	15.0
221.15335	36.0
222.13977	2.9
223.14835	17.0
225.12697	5.9
225.16328	9.4
227.14272	7.1
231.11662	5.2
231.13797	3.4
232.12416	3.6
233.13153	9.0
233.15334	39.5
235.14714	10.8
235.16945	3.2
237.12695	5.8
237.16348	7.5
239.14223	5.6
239.18002	2.6
241.15750	3.2
245.13287	4.1
246.13959	5.2
247.14754	7.7
247.17015	2.7
249.16351	9.6
250.17061	2.8
251.14195	3.5
251.17952	6.5
255.17558	4.0
259.14832	6.8
260.15448	3.0
261.16269	6.3
263.17938	6.4
265.19427	3.1
269.18991	9.3
273.16122	4.9
273.18719	3.4
275.17624	4.5
277.19315	3.7
281.18909	3.8
287.17529	3.9
289.19324	3.7
290.49640	2.5
295.20474	3.6
299.19998	8.2
300.20847	2.9
303.20969	5.0
307.22910	3.0
311.20068	5.5
315.20703	3.7
343.23907	4.9
361.25107	7.7
365.24994	2.8
377.24664	3.1
379.26312	6.4
489.83377	2.7
581.39722	4.5
599.40729	14.6
617.41919	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	617.4192
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.4
55.05508	9.6
56.96558	4.9
57.07061	10.6
59.04984	3.1
64.99071	1.8
67.05493	21.3
69.03418	5.6
69.07068	7.7
71.23412	2.3
71.23769	4.1
73.12476	1.8
79.05479	20.4
80.06274	2.5
81.07042	29.4
83.04975	8.4
83.08609	6.6
84.96041	3.1
85.06532	4.1
91.05461	26.3
93.07027	34.6
95.04961	14.5
95.08595	23.0
97.06532	6.5
102.27442	2.0
103.05444	3.6
105.06302	2.8
105.07011	48.2
105.07668	3.5
107.04945	2.2
107.08581	26.6
109.06508	16.5
109.10122	14.3
111.04459	2.5
115.05488	5.6
117.06998	11.2
119.08561	41.0
121.06478	5.7
121.10111	26.1
123.08044	27.4
123.11691	3.4
125.05968	10.6
125.09634	4.7
128.06215	6.9
128.98537	2.4
129.06993	12.2
130.07822	4.9
131.04892	2.1
131.08553	22.1
133.06442	4.2
133.10107	27.8
135.08044	11.4
135.11699	7.0
137.09607	15.0
139.07533	1.8
139.11159	4.2
139.26096	2.0
141.07001	2.9
142.07758	10.0
143.08531	26.0
144.09335	3.8
145.10094	30.4
147.08006	19.0
147.10649	2.1
147.11667	10.4
148.08708	1.9
149.09637	6.0
149.13264	2.3
151.07520	33.1
151.11110	2.6
153.06935	3.1
155.08575	8.8
156.09325	8.2
157.10097	30.4
158.10883	2.3
159.08063	5.5
159.11662	13.8
161.01172	4.3
161.05916	2.3
161.09624	8.3
161.13286	7.2
163.11172	17.6
165.09096	36.5
167.08557	4.0
167.10692	7.2
168.09332	4.0
169.10120	9.1
170.10886	4.8
171.11636	18.9
173.09668	5.6
173.13281	9.3
175.11227	6.2
175.14842	5.1
177.09166	3.7
179.08545	3.1
179.10693	2.9
179.60002	1.9
181.10107	5.4
181.12222	18.8
182.10889	5.8
183.11638	12.2
185.13278	9.1
187.11203	5.1
187.14815	3.9
189.12665	12.9
190.95299	2.5
193.10173	5.5
194.10919	2.4
195.11705	10.8
195.13393	1.9
196.12433	3.2
197.13284	7.7
199.11230	2.0
199.14885	5.5
201.00644	4.0
201.12845	4.6
203.14319	15.3
206.10970	3.1
207.11819	4.1
207.13837	14.4
209.13284	8.9
209.15239	3.4
211.14876	5.2
213.12680	4.5
215.14310	3.1
217.15804	2.1
218.10789	2.4
221.13312	5.1
221.15315	100.0
223.14781	3.2
225.12694	2.1
227.14406	3.6
233.15388	4.4
239.14375	2.9
253.15802	2.0
263.18015	2.8
264.96967	2.8
267.17310	2.5
271.16895	4.7
282.97983	3.1
286.19275	10.0
287.20200	3.2
289.19379	3.1
295.20587	2.4
299.20041	4.7
300.98868	3.7
312.20865	4.6
313.21753	4.1
317.17920	6.1
335.18982	2.6
409.27527	4.1
525.35339	3.9
537.35638	5.7
538.22174	2.4
581.39685	3.2
599.25037	2.4
599.40887	21.5
617.23114	20.6
617.41919	99.2
618.23358	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	617.419
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03904	2.2
54.58485	1.9
55.01856	4.5
55.05258	2.8
55.05505	38.3
57.07067	10.5
58.17919	2.1
59.04984	3.3
64.32544	1.9
65.03920	3.5
67.05493	19.5
69.03418	10.3
69.07066	10.3
71.04981	5.7
79.05486	16.3
81.07047	28.0
83.04969	11.7
83.08606	51.4
85.06525	7.4
87.04447	2.4
91.05470	24.6
93.07040	32.8
95.04940	10.6
95.08582	26.6
97.06525	15.8
98.21590	4.2
99.08117	2.0
101.09415	2.1
105.07020	42.2
105.07721	1.5
107.04962	2.3
107.08579	33.6
109.06482	7.9
109.10155	14.8
111.08085	4.5
113.09627	4.1
117.07014	7.5
119.07769	3.5
119.08566	38.2
120.08818	2.6
121.06466	7.6
121.10129	26.7
123.08044	21.6
125.06005	4.5
125.09631	12.9
128.06190	4.0
129.06981	7.1
130.07729	2.6
131.08546	23.6
133.10133	19.2
135.08040	10.5
135.11667	5.3
137.09593	11.6
139.11179	5.6
142.07726	12.3
143.08546	21.1
144.09290	3.0
145.10088	29.5
147.08040	20.3
147.11668	10.7
149.09586	7.3
151.07521	14.5
153.12738	2.6
155.08533	7.0
155.10629	8.5
156.09328	5.2
157.10088	28.7
159.08064	6.2
159.11671	15.7
161.09543	6.6
161.13258	6.8
163.11200	8.1
165.09090	37.8
167.08536	5.0
167.10651	2.7
169.10095	14.8
170.10905	2.5
171.10298	2.4
171.11617	12.0
173.09552	2.2
173.13216	7.0
175.11182	4.1
175.14784	3.5
179.08611	2.7
179.14392	3.2
181.10101	7.5
181.12241	18.3
182.10847	4.8
182.12357	2.2
183.11693	12.7
185.13257	8.4
187.11148	4.3
187.14787	6.5
187.46864	2.1
189.12714	7.2
190.18069	2.3
191.10634	4.2
191.14296	3.4
193.10097	3.2
194.10876	3.8
195.11710	7.7
195.13876	4.5
196.12421	4.3
197.09506	2.6
197.13252	12.7
199.11102	3.6
201.12639	2.4
203.14320	17.4
207.11852	3.0
207.13768	8.9
208.12535	3.8
209.13229	6.3
209.15311	3.6
211.11263	3.1
211.14838	6.9
213.16284	3.5
215.14398	4.9
215.52553	2.2
219.11771	2.3
221.13383	5.7
221.15335	100.0
222.15793	5.4
223.14745	11.3
225.12872	2.6
225.16423	3.2
229.15945	2.7
233.15314	4.2
235.14816	4.1
237.16565	3.4
239.18010	2.2
247.16951	8.4
249.16254	3.2
251.17932	3.5
281.19080	2.6
285.18497	3.5
286.19299	3.3
287.19919	8.5
299.20001	9.0
300.20575	5.7
301.21497	2.6
312.20581	3.2
313.21686	3.8
325.21536	4.4
365.24615	4.4
391.26270	5.1
431.29330	5.7
453.29330	2.4
511.96921	2.4
537.34979	2.5
581.40039	4.6
599.41003	22.8
617.41968	38.9
617.51367	3.1
646.72260	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.2009
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30809	0.3
52.09568	0.3
53.03938	0.8
55.01865	2.5
59.04991	0.8
66.04700	0.5
67.05508	0.3
69.03411	0.3
71.62546	0.4
71.98730	0.2
79.05482	7.1
81.07041	0.4
89.03909	0.8
90.04687	0.6
91.05474	3.2
93.07045	0.6
95.04967	2.4
95.08548	0.3
103.05457	8.8
104.06248	0.3
105.07018	64.6
106.07333	0.5
107.04951	0.5
107.08588	0.5
115.05442	14.3
117.09186	0.3
118.04140	4.7
119.08585	0.6
121.06515	0.3
121.10123	0.6
130.04102	0.3
131.04912	2.6
132.05698	0.7
133.06476	58.7
134.06824	0.6
143.04918	1.0
143.06032	4.5
143.07097	0.4
145.02856	0.6
145.10127	0.3
147.04407	0.6
147.08057	0.3
149.06015	0.3
159.11749	0.3
161.05960	100.0
162.06337	1.1
165.09119	0.3
167.07039	0.5
167.10664	0.3
171.11626	0.3
177.05470	1.7
193.08585	44.5
194.08899	0.6
207.13855	0.3
216.04117	2.2
224.04713	0.4
231.06483	4.4
233.15424	0.3
239.06952	1.3
242.05643	0.6
245.47476	0.3
257.08170	0.3
268.03632	0.4
273.22583	0.3
277.08572	0.3
283.06030	2.3
287.06927	0.3
305.08038	0.6
321.07584	0.6
331.09448	0.5
333.07468	0.5
346.08359	0.7
347.09042	0.5
348.09586	0.4
361.10535	1.8
363.12146	0.8
379.11481	0.4
407.11163	7.2
425.12268	6.7
617.20013	0.4
617.41687	0.6
632.14764	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.3306
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	1.2
55.01854	1.2
55.05265	0.4
55.05499	5.2
57.03405	1.1
57.07047	1.2
57.94221	0.3
61.02888	0.3
65.03912	0.9
67.05489	10.1
68.99770	0.7
69.03412	4.9
69.07061	2.7
69.45576	2.6
71.04961	1.0
71.08588	0.4
73.02892	0.3
79.05478	9.0
81.02969	0.6
81.03401	6.4
81.07040	12.7
83.04972	1.9
83.08605	3.7
85.02897	2.7
85.06504	1.0
87.04421	0.8
89.05984	0.5
91.05461	8.2
92.05755	0.4
93.06468	0.5
93.07029	10.6
95.04953	2.9
95.08582	7.8
97.02876	3.4
97.06502	1.8
97.10142	0.5
99.04420	1.0
99.08081	0.4
103.05429	0.6
105.04526	0.4
105.07015	8.5
107.04932	1.6
107.08577	7.3
109.02848	1.5
109.06474	1.6
109.10138	4.4
111.04392	1.2
111.08043	0.9
113.05965	0.9
113.09627	0.5
115.05459	0.4
117.06984	3.4
119.08561	5.3
121.06451	3.6
121.10128	5.6
122.10418	0.4
123.04401	5.0
123.08047	1.8
123.11685	1.9
123.76075	0.3
125.05968	3.6
125.09566	1.0
127.03893	1.7
128.06197	0.7
129.05444	0.5
129.06937	1.7
131.08539	4.7
133.06561	0.4
133.10101	8.7
134.10455	2.1
135.08028	1.2
135.10765	0.5
135.11668	3.6
137.09575	1.5
137.13210	0.5
139.11148	0.9
141.06926	0.6
142.07742	0.9
143.08508	2.1
144.09267	0.8
145.06400	0.5
145.10095	4.4
147.08018	2.4
147.11639	2.4
149.05954	20.8
149.09579	1.1
149.13220	2.0
151.07518	2.2
155.08516	1.1
155.10689	0.5
157.10085	2.2
159.08018	0.9
159.11642	3.2
161.09517	0.8
161.13239	2.1
163.11121	1.0
163.14777	1.0
165.09103	1.5
167.07014	7.0
167.08398	0.6
167.10667	0.5
169.10120	1.9
171.08055	0.6
171.11665	2.0
173.05869	0.4
173.09624	0.6
173.13197	2.8
175.11179	0.7
175.14752	0.8
177.05438	36.0
178.05791	0.5
179.08397	0.4
181.10150	0.8
181.12216	1.1
183.11661	1.1
185.09554	0.5
185.13210	1.5
187.14745	1.0
189.05351	0.4
189.12811	0.5
191.14195	0.5
193.10114	0.4
195.06491	100.0
196.06830	1.0
196.12526	0.4
197.13217	1.2
198.13525	0.5
199.14848	1.0
201.12717	0.6
201.16364	0.7
203.14284	1.1
207.06509	1.3
207.13712	0.7
209.13237	0.8
211.11145	0.4
211.14720	0.9
215.14290	0.4
219.06454	0.7
221.13310	0.8
221.15286	3.7
223.14771	0.8
225.16389	0.4
230.60071	0.4
237.07475	0.5
243.20988	1.1
247.17081	0.7
259.20526	0.9
261.22003	2.9
263.68811	0.4
271.20834	0.5
273.22134	0.5
277.21591	0.8
281.19553	0.4
287.19968	0.6
291.23187	0.5
299.20132	0.7
301.21448	0.6
303.23190	0.8
315.23090	0.5
339.03421	0.4
341.24557	0.7
351.23157	0.7
369.24298	2.0
387.25247	2.2
405.26303	1.6
423.27490	0.6
599.41260	1.2
617.41907	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.2008
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52268	0.3
52.03818	0.4
53.03904	0.5
55.01838	1.5
65.11248	0.3
68.99755	1.0
69.76231	2.3
77.03894	0.4
79.05064	0.4
79.05478	5.5
81.07018	1.0
83.05006	0.4
84.08141	0.5
87.08498	0.4
89.03893	0.7
90.04707	0.6
91.05461	4.1
92.18458	0.3
93.07018	1.1
95.04958	1.9
95.08578	0.9
97.06472	0.4
98.20695	0.4
103.04884	0.4
103.05460	5.1
105.07012	37.8
107.04929	0.6
107.08567	1.2
113.96352	0.4
115.05435	8.6
117.03345	0.6
117.06983	0.5
118.04143	3.3
119.04907	0.4
119.08564	0.7
121.06487	0.4
121.10123	1.1
123.08039	0.5
129.07027	0.4
131.04893	1.1
133.06473	34.8
133.10085	0.7
135.04335	0.6
137.05942	3.3
143.04999	0.5
143.06020	2.3
145.02769	1.8
145.10057	0.5
147.11600	0.7
153.05373	0.5
157.10164	0.7
159.07927	0.6
161.05954	73.6
162.06320	0.7
163.03860	2.0
165.97992	0.3
167.06923	0.4
167.10638	1.3
173.02321	0.5
174.03127	2.6
175.07405	0.4
177.05435	1.1
181.12154	0.4
183.11562	0.4
185.05951	0.5
185.13219	0.4
187.03882	0.9
193.08569	32.9
195.06458	1.1
201.01759	0.7
201.05289	0.5
203.07047	1.4
207.10121	0.4
209.15190	0.4
213.05446	0.8
216.04140	100.0
217.04572	1.5
221.15340	0.6
231.06482	78.9
232.06796	1.2
245.08066	0.8
245.47043	0.4
312.21301	0.5
425.12253	28.4
426.12537	0.8
446.04227	0.4
525.36139	0.4
576.51306	0.4
589.67889	0.4
617.20093	12.3
617.29193	0.8
617.41888	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.3105
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.6
55.01858	0.4
55.05515	1.0
56.05025	0.7
57.03405	0.5
58.99578	0.4
60.04524	0.5
62.47451	0.4
67.05495	6.0
68.05015	1.1
69.03405	1.9
69.07063	1.2
69.54624	2.7
70.06580	100.0
70.67973	0.3
71.04984	0.7
71.06922	0.7
72.08142	2.1
79.05495	1.4
81.03400	2.9
81.07043	4.6
84.04495	0.9
84.08125	4.0
85.02905	1.8
85.06571	0.4
86.09694	4.0
87.05595	0.4
91.05485	1.2
93.07015	2.0
94.06541	0.5
95.04948	1.0
95.08584	2.8
96.08081	0.4
97.02879	1.2
97.06513	0.8
99.04460	1.2
99.08102	0.6
104.05324	0.4
105.07015	0.6
107.00929	0.5
107.04935	7.2
107.05606	0.6
107.08594	1.4
109.02861	3.3
109.10137	15.2
110.07153	0.5
119.08525	0.8
120.08099	2.2
121.10181	0.7
122.06011	0.8
122.09701	0.4
123.04428	0.3
123.08028	0.4
127.03898	2.0
129.10242	1.5
134.09671	1.3
136.07622	0.5
137.09595	32.8
138.09990	0.5
140.07115	1.1
145.06378	0.3
147.08034	0.5
148.07600	1.1
152.07080	0.7
155.10693	1.3
159.48140	0.4
160.11304	0.4
164.10735	0.6
165.09091	21.2
171.08014	0.8
183.10133	1.0
201.11198	1.0
201.83324	0.4
207.06535	0.5
209.91641	0.4
224.09415	0.4
254.15326	3.0
255.90759	0.4
267.11322	0.4
272.16409	16.9
285.12341	0.9
287.10571	0.7
287.13962	2.2
291.12054	0.6
303.13367	1.2
309.13220	2.0
327.14276	3.1
329.11212	0.6
345.15506	0.9
434.21591	0.4
454.19730	0.9
513.85309	0.4
573.27020	0.5
580.38000	0.4
598.30560	1.4
616.31097	93.3
617.31628	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	616.3107
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.4
55.01867	0.2
55.05500	0.9
56.05032	0.3
57.03428	0.9
65.43970	0.2
67.47279	0.3
69.03413	0.5
70.06585	4.8
70.12602	0.6
70.13013	0.5
71.04981	0.3
71.06921	0.2
72.08144	0.4
73.02902	0.8
79.05467	0.4
81.03412	0.6
82.06569	6.6
84.08134	100.0
85.02890	1.7
85.08455	0.8
86.09701	0.8
91.05418	0.2
93.05865	0.2
96.08099	0.3
97.02887	0.7
97.06520	7.0
98.09676	0.7
99.04462	0.6
103.03934	0.4
106.76033	0.2
107.04943	38.0
108.05268	0.5
109.02876	1.2
115.07556	14.4
120.08088	0.2
121.06501	0.4
126.09140	39.4
127.03906	2.3
127.09491	0.5
129.10248	0.5
145.04945	0.6
147.08022	0.4
149.05978	0.4
163.06117	0.3
179.03369	0.5
179.49344	0.2
203.10655	0.3
213.03987	0.4
221.11723	1.1
229.07080	0.5
231.04962	0.5
246.14877	1.8
272.16443	1.2
290.17471	46.4
291.06946	0.3
291.17825	1.0
304.05307	0.3
305.05368	0.4
306.05563	0.3
357.07916	0.3
375.09283	1.2
393.10278	0.4
408.20129	7.6
409.20477	0.3
452.22778	3.7
454.25659	0.4
598.29907	0.6
616.31097	62.5
617.31604	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	615.497
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.5
55.01867	0.9
55.05258	0.9
55.05500	11.8
57.03408	2.1
57.07068	5.7
65.03942	0.9
67.05492	23.7
69.06721	0.8
69.07060	13.2
69.98808	4.1
71.04974	0.9
71.08603	2.4
77.63578	0.8
79.05477	13.9
81.07042	30.6
83.04951	0.9
83.08601	8.7
85.06519	0.9
87.04457	0.8
88.60889	0.7
91.05460	11.1
93.06463	1.1
93.07029	19.8
95.04926	2.3
95.08591	19.6
97.06520	3.5
97.10153	4.4
98.21493	0.8
99.08096	1.1
100.94788	0.7
105.06364	1.3
105.07018	16.1
107.08558	12.0
109.06494	1.2
109.10137	7.5
111.08092	1.1
115.74927	0.8
117.06989	4.2
118.06496	0.8
119.08560	14.5
121.10125	9.3
123.08053	1.2
123.11674	3.3
125.09592	1.0
129.07014	2.0
131.08537	9.5
133.08603	1.2
133.10104	8.3
135.11647	5.7
137.13206	2.1
143.08498	3.6
144.08109	0.7
145.10083	9.0
146.05963	1.2
147.11656	6.7
149.13225	3.0
151.14777	1.4
155.08533	0.9
157.10100	2.5
159.11668	5.7
161.13220	4.4
163.14798	2.3
169.10068	1.6
171.11656	3.0
173.13277	3.5
175.11052	0.8
175.14777	5.4
177.16347	1.2
183.11726	1.2
184.04369	0.7
185.13226	2.2
187.14813	3.9
189.16357	2.3
191.17876	0.8
197.13097	1.7
199.14822	2.3
201.16310	1.8
203.17879	1.4
213.16386	1.2
215.17885	2.3
217.19276	0.9
229.19452	1.1
243.20993	1.7
245.22536	1.3
261.22049	2.0
273.21985	1.1
275.23654	0.9
287.23483	1.2
301.25235	1.3
303.34497	0.7
335.25735	2.1
337.27295	2.6
389.30103	0.8
428.42300	2.1
445.36511	0.9
503.37082	1.6
505.44577	0.9
517.38269	1.0
523.44806	3.2
529.51764	1.0
541.46027	1.6
545.41986	1.3
567.79132	0.8
597.48730	7.2
615.49493	100.0
616.49701	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.2436
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36628	0.6
53.03934	0.8
55.05503	1.3
67.05482	2.7
69.07050	2.2
69.39031	7.1
70.06576	6.1
72.08139	1.2
79.05465	1.8
81.03400	1.1
81.07030	1.0
84.04502	1.2
84.08131	3.5
85.02895	0.7
86.09689	2.4
91.05461	0.9
93.07013	1.4
94.06542	1.9
95.04944	1.7
97.06591	0.7
98.20734	1.3
106.06510	0.7
107.04926	3.5
109.92366	0.7
120.08106	2.0
122.06026	8.4
129.10301	0.9
131.08475	0.7
134.06000	1.3
136.07547	0.7
138.05486	3.5
140.07024	8.3
146.04932	0.9
146.05989	9.0
148.07532	6.9
169.64040	0.7
170.09592	1.0
172.07622	1.0
174.05441	1.0
175.08702	1.2
187.12227	0.8
190.04922	5.5
192.06432	1.3
198.09122	6.3
209.10840	0.8
211.08598	1.5
212.09230	1.3
213.10278	1.2
215.11754	5.4
215.13515	0.8
220.43828	0.8
225.10249	4.4
226.08528	2.1
227.11728	5.5
237.10229	1.9
239.09590	0.9
239.11896	1.6
240.10226	1.4
240.12576	5.6
241.09796	1.2
241.13316	3.4
243.11250	35.3
244.11755	1.2
249.10210	1.7
251.11755	1.7
254.10474	0.9
255.11206	1.2
256.78625	0.7
257.12616	3.4
267.11227	1.8
269.12769	1.8
271.10699	1.5
279.11224	1.5
283.10760	1.9
285.12280	100.0
286.12631	3.9
287.10547	1.1
287.13849	23.7
288.14560	1.0
295.10388	0.8
297.12228	4.3
301.12057	0.9
303.13336	1.5
311.10086	7.5
313.11816	2.9
314.12680	1.6
326.12576	0.8
328.14410	2.3
329.11267	1.9
329.14908	1.2
331.12912	2.6
336.14819	1.1
339.09595	0.9
340.14505	1.0
341.11655	0.9
341.15552	0.9
342.12299	4.4
342.15869	1.2
349.13837	0.7
356.13699	5.8
357.14618	3.3
358.15488	3.0
369.14349	1.2
370.15372	4.3
372.16739	1.1
384.17023	1.9
386.14075	0.7
386.18793	2.1
388.16022	0.9
395.16217	0.8
412.16644	3.9
415.15012	4.6
430.17526	35.7
431.18170	4.3
553.24274	1.1
571.25128	7.4
597.23291	9.3
615.23834	10.8
620.72046	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.483
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	2.8
57.07066	31.3
59.04997	0.7
59.79996	0.6
67.05486	2.0
69.07060	3.9
69.30650	7.2
71.08624	24.5
73.06541	6.7
74.02743	0.7
79.05469	1.3
81.07043	3.3
83.08605	2.8
85.06569	0.7
85.10168	15.6
87.04448	6.4
89.06018	100.0
90.76009	0.6
91.05464	0.9
91.07568	0.8
93.07060	1.3
95.08606	1.2
97.10163	4.1
99.11723	2.8
105.07030	1.3
107.07056	4.4
107.08558	1.3
109.06480	1.0
109.10139	0.9
111.11700	2.2
112.77921	0.7
113.13286	1.9
117.09121	6.5
119.08543	1.5
121.10136	1.1
121.83776	0.7
125.13281	1.1
127.14781	1.4
130.08611	5.2
131.07037	2.7
131.08530	0.9
133.08582	55.0
143.08528	0.7
145.10135	0.8
158.10713	0.7
158.43793	0.7
159.08014	0.9
159.11746	0.7
161.11731	1.5
165.09120	1.0
169.10124	0.7
175.09636	1.3
177.11191	25.0
183.21063	3.3
195.11884	0.7
202.15958	1.8
203.16272	1.8
220.16924	1.2
221.13849	5.0
221.17265	1.3
222.17731	0.8
227.23692	3.4
239.14966	2.3
265.16476	1.4
271.26315	9.7
283.17383	3.4
301.13885	0.9
315.28864	6.0
327.20224	2.8
371.22794	2.2
397.24072	0.7
410.59784	0.8
415.25256	11.3
454.67960	0.6
480.53653	0.7
509.40396	1.2
553.43304	1.0
572.26355	1.4
597.45612	11.6
614.26837	1.8
614.40155	1.9
614.48444	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	614.4831
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28892	0.7
53.03944	0.9
55.01864	1.0
55.05507	5.0
55.22396	0.7
56.70161	0.7
57.03424	1.0
57.07069	62.5
58.07393	0.8
59.04985	1.0
60.93463	0.6
61.93632	0.7
62.16249	0.7
64.34510	0.7
67.05510	3.9
69.03438	1.1
69.07063	10.5
69.85593	4.7
71.04989	1.1
71.08623	52.5
73.02955	0.6
73.06547	6.4
79.05490	3.4
81.03415	1.2
81.07044	3.8
83.04964	0.9
83.08621	5.5
85.10172	33.5
87.04464	8.7
89.06021	100.0
91.05470	3.3
91.07579	0.8
93.07030	4.6
95.04985	1.0
95.08566	3.4
97.06506	2.0
97.10167	4.4
98.20753	0.9
99.11711	8.2
102.03839	0.7
105.07019	4.0
107.04958	0.9
107.07071	5.3
107.08590	2.7
107.57036	0.8
109.06559	1.1
109.10168	2.1
111.11697	3.9
113.13280	6.7
117.06992	0.8
117.09112	5.3
119.08546	2.7
119.15717	0.8
121.10160	2.6
123.08083	1.1
125.09614	0.7
125.13263	2.6
126.56303	0.7
127.14806	4.6
127.16939	0.7
129.06981	0.7
130.08624	3.6
131.07027	3.0
131.08551	2.2
133.08591	69.3
135.08072	1.6
135.10098	0.8
135.11708	0.8
139.14732	0.8
143.08597	1.4
145.10112	1.6
147.08028	1.2
147.11678	1.3
151.09608	0.9
157.10193	1.4
159.08057	0.9
159.11665	1.4
161.09596	0.8
161.11780	2.5
166.76755	0.7
167.10706	0.7
169.10167	0.7
171.11687	0.7
175.09677	0.9
175.86674	0.7
177.11206	31.3
179.12785	0.8
183.21092	1.7
195.12009	1.0
197.13246	0.8
219.12036	0.7
221.13737	7.2
223.15337	1.7
227.23643	1.1
239.14828	3.3
265.16501	2.0
271.26276	6.4
283.17526	4.6
309.19028	1.3
314.27234	0.7
315.28891	7.7
327.20044	3.3
353.21588	1.0
371.22864	2.2
387.72678	0.8
415.25385	11.0
436.65460	0.8
465.38049	1.3
509.40405	0.9
536.55841	0.8
553.42859	1.8
596.40637	0.9
597.45795	20.3
598.46124	1.1
614.48871	10.7
615.41339	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.4614
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.1
55.01857	3.3
55.05498	24.8
55.05742	2.0
57.03423	16.4
57.07067	9.9
58.70290	1.5
65.03912	2.8
66.65761	1.4
67.05493	55.9
69.03436	5.5
69.07055	27.1
69.07404	2.6
69.15357	1.6
71.04986	2.2
71.08614	3.9
71.63741	2.3
76.31711	1.7
77.53284	1.5
79.05474	26.0
80.32017	1.9
81.03403	67.4
81.07042	66.4
83.04956	8.2
83.08603	25.6
85.06544	4.3
87.04440	11.7
89.06015	10.2
91.05457	30.6
93.07027	30.9
95.04957	36.2
95.07982	1.5
95.08585	46.8
97.06539	5.9
97.10152	11.4
99.08095	2.0
105.07009	28.2
105.07644	1.7
107.04958	7.0
107.08581	24.4
109.06499	10.3
109.10149	17.7
110.10510	1.6
111.08099	7.2
111.11732	2.2
115.05486	2.7
117.06995	10.1
119.04932	2.6
119.08555	30.9
119.09317	1.9
121.06513	7.2
121.10126	18.8
123.08066	6.9
123.11720	6.2
125.06027	5.9
125.09649	4.0
128.06261	4.5
129.06970	14.3
131.08543	18.7
133.06496	3.8
133.08656	6.5
133.10104	12.9
135.08063	6.9
135.11659	9.7
137.05991	4.2
137.09641	5.6
141.07027	3.2
142.07823	6.3
143.08527	19.8
144.09302	3.1
145.06564	2.8
145.10089	17.7
147.08087	5.4
147.11642	12.0
149.09654	5.4
149.13213	2.6
151.07625	1.9
151.11134	2.0
153.09128	1.6
155.08595	5.6
156.09317	3.9
157.10097	21.9
158.10898	5.2
159.08069	3.8
159.11592	8.3
160.08835	2.8
161.09644	4.7
161.13249	3.5
163.06021	1.5
163.11186	7.4
165.06955	1.9
165.12703	3.0
167.08606	2.4
168.09209	2.3
169.10092	7.4
170.10854	2.5
171.08067	2.0
171.11710	9.9
173.09625	3.0
173.13298	3.5
175.11137	9.3
177.11263	4.3
179.08537	3.9
180.09296	1.9
181.10222	3.3
181.12326	5.7
182.10840	1.9
183.11736	5.5
185.09662	3.9
185.13191	2.0
187.11191	3.9
187.14819	2.1
189.11189	2.4
189.12697	2.1
191.14334	3.4
192.09390	2.1
193.10234	4.8
193.12285	21.8
194.10822	2.2
195.11696	6.1
197.13290	4.9
199.11255	3.9
199.14818	2.2
207.11774	5.5
209.09781	1.8
209.13312	5.1
211.11253	3.3
211.30423	1.9
213.12793	1.7
216.11429	3.5
219.05576	1.7
221.13344	4.0
223.11147	2.0
223.14832	2.0
225.12817	3.4
227.12589	2.3
231.11713	1.9
232.20717	1.9
235.14954	2.9
245.22798	2.6
247.14914	2.2
249.12582	2.3
249.14870	3.1
253.16042	1.7
263.23840	5.1
267.15869	100.0
268.16211	1.9
273.18573	5.7
277.16016	1.7
286.19553	1.8
289.15814	2.2
289.21939	1.9
303.26953	1.7
305.17526	4.3
322.33215	1.8
331.19257	5.9
337.27295	87.8
338.27707	3.5
344.33151	11.8
352.23853	21.4
372.36163	13.3
384.22833	17.8
385.23450	1.7
400.39371	2.2
415.25534	5.7
421.25430	1.9
437.34280	3.4
444.30688	1.8
455.35004	7.8
473.36407	4.0
476.29175	9.0
522.33740	3.6
528.51270	39.2
529.38782	69.4
530.39166	4.3
547.39856	32.3
547.47589	2.5
548.40491	2.9
561.41608	2.0
590.29901	1.9
614.29742	3.4
614.39746	37.0
614.55188	96.1
615.40363	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	614.3525
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03919	0.8
53.06140	0.5
55.01851	1.5
55.05506	4.5
57.03426	0.9
61.02906	3.0
65.08910	0.6
67.05498	10.8
69.07066	4.2
70.06590	0.9
71.04964	0.9
71.62984	1.0
73.02894	1.1
79.05483	9.2
81.03397	0.8
81.07043	11.4
83.04976	1.2
83.08616	3.4
85.02895	3.4
91.03943	1.4
91.05464	10.9
93.07036	9.6
95.04958	1.8
95.08586	7.0
97.02891	1.5
97.06522	1.6
97.10136	0.5
99.08066	1.1
105.04475	0.7
105.07014	10.9
107.04929	1.0
107.08595	4.2
109.06487	1.5
109.10146	2.5
111.04399	0.9
111.08107	0.9
117.06999	6.2
119.08560	6.5
121.06480	2.0
121.10128	3.9
121.75960	0.6
123.08079	1.4
125.09606	0.9
128.06194	1.0
129.06984	4.9
131.08553	9.5
133.06473	1.6
133.10127	3.4
135.08020	1.2
135.11717	1.2
137.09637	0.9
141.06949	2.3
142.07770	0.7
143.08537	5.5
145.06432	1.1
145.10103	7.3
147.08026	1.3
147.11679	1.8
149.09579	2.3
151.11169	0.8
155.08525	3.6
157.10074	4.1
159.08041	1.3
159.11664	3.5
161.09627	1.1
161.13245	0.8
163.11154	0.7
167.08546	1.8
168.09244	0.6
169.10095	4.1
171.11652	3.8
173.13255	2.1
175.11200	0.9
177.09102	0.9
177.12697	0.7
181.10112	2.4
183.11682	3.5
185.09605	2.5
185.13232	2.4
187.11160	1.9
187.14780	1.1
189.12683	1.2
195.11697	2.8
197.13248	1.5
199.11166	3.9
199.14786	1.1
201.12720	1.4
207.11714	0.7
209.13261	1.1
213.12695	1.7
231.13869	1.0
243.11360	1.0
289.14856	0.6
296.11087	0.7
297.22028	2.4
307.20508	1.2
315.23090	3.5
325.21552	8.8
343.22629	9.7
345.14255	0.6
361.23709	2.7
399.25168	1.8
417.26297	100.0
418.26642	2.3
419.17487	0.8
435.27350	29.9
436.28030	0.8
466.19434	0.8
536.23468	1.2
554.24725	6.7
555.24847	0.7
582.24219	4.8
614.26709	12.1
614.36987	0.8
614.41217	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.4818
Annotation	1.3-dilinolenin
Peak:m/z	Relative Intensity
53.03920	1.1
55.01859	1.4
55.05504	11.2
57.03426	3.0
57.07058	3.5
58.55005	0.4
62.27419	0.5
65.03921	0.7
67.05494	23.3
68.05806	0.8
69.07053	12.2
70.07388	0.5
71.04978	1.5
71.08615	2.1
71.63682	0.8
73.61172	0.4
79.05045	0.9
79.05478	12.8
81.07041	22.3
82.07391	0.6
83.04959	1.6
83.08598	5.8
85.06521	1.3
85.10143	0.6
87.04458	0.6
89.06022	0.6
91.05463	11.3
92.05773	0.7
93.06460	1.1
93.07028	16.3
95.04928	1.5
95.08591	17.8
96.08984	0.6
97.06495	1.4
97.10147	3.8
97.13039	0.5
99.08080	1.4
105.04504	0.7
105.07013	15.9
106.04906	0.5
106.07325	0.5
107.08572	8.6
109.10139	7.0
111.08050	1.1
113.09612	0.8
115.05354	0.6
117.06994	7.2
119.08558	17.0
121.10117	6.4
123.08076	1.1
123.11684	3.3
125.09566	1.6
128.06184	1.0
129.06960	4.7
131.08551	14.8
133.10110	6.9
134.10446	0.8
135.11659	3.6
137.13234	1.3
141.06940	1.7
143.08546	8.5
145.10098	15.2
146.10413	0.8
147.11688	5.3
149.06773	0.5
149.13228	1.2
155.08537	2.8
157.10112	5.4
159.11664	6.2
161.13229	5.0
161.41772	0.5
163.14810	1.2
165.16411	0.5
167.08514	1.4
169.10106	3.3
171.11659	4.5
173.13243	5.2
175.11197	0.6
175.14807	4.8
177.16342	0.9
179.14276	1.4
181.10094	1.5
183.11664	3.1
185.13239	4.1
187.14780	5.4
189.16347	2.0
193.19524	0.6
195.11639	1.4
197.13228	2.7
199.13251	0.8
199.14818	3.5
201.16367	4.3
209.13275	1.5
211.14767	2.5
213.16399	3.6
215.14215	0.7
215.17947	2.8
217.19603	0.6
223.14828	1.5
225.16359	1.6
227.17952	2.3
229.19577	1.0
231.21033	1.8
239.17946	1.5
241.19598	1.2
243.21159	0.6
245.22610	0.8
253.19487	0.6
255.21118	0.9
257.22601	1.1
259.20456	1.1
261.22189	0.8
267.21060	0.6
269.19006	0.6
269.22620	1.5
271.24374	0.9
277.21408	2.4
285.22092	0.9
293.22333	0.5
299.23532	1.3
311.27130	0.6
313.25247	1.1
317.24658	0.7
327.26642	0.5
337.26935	0.7
397.34747	1.1
400.39426	1.2
401.80603	0.6
497.36026	0.8
503.42337	1.5
515.37372	1.3
521.43384	10.1
527.50067	0.8
539.44672	5.7
577.45917	1.5
589.81812	0.6
595.47101	9.3
613.47998	100.0
614.47986	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.4815
Annotation	1.3-dilinolenin
Peak:m/z	Relative Intensity
53.03934	1.6
55.01856	1.0
55.05259	1.0
55.05504	14.7
57.03430	5.2
57.07070	3.4
57.31754	0.6
65.03927	2.0
65.65284	0.6
67.05495	46.1
69.07060	17.2
70.81328	1.0
70.81700	1.2
71.04978	2.2
71.08598	1.1
75.06847	0.5
77.03903	0.5
78.72932	0.6
79.05483	27.9
81.07044	53.3
83.04961	1.1
83.08614	8.6
85.06541	1.3
91.05465	20.4
93.07029	34.0
95.04961	3.2
95.08595	43.0
97.06526	2.6
97.10149	3.1
99.08086	1.8
103.05453	0.6
105.07019	21.4
107.08579	21.9
109.06520	1.2
109.10141	21.0
111.08055	1.6
111.11721	0.9
115.05442	0.6
117.06998	9.1
119.08564	20.3
121.10128	18.8
123.11681	7.5
125.09671	1.1
128.06230	0.8
129.06984	4.3
130.07817	0.5
131.08553	17.3
133.10115	18.1
135.11664	13.1
137.09654	0.8
137.13228	2.3
139.11224	0.8
141.06941	0.7
143.08557	5.1
145.10104	16.0
147.11681	12.8
149.09647	0.9
149.13232	8.3
151.11182	1.0
151.14833	1.5
155.08514	1.7
157.10089	6.3
159.11667	14.2
161.13228	9.5
163.11227	0.7
163.14806	4.6
169.10101	2.2
171.11653	5.7
173.13232	10.7
175.14792	4.9
177.16385	1.4
179.17809	0.6
183.11667	2.5
185.13217	5.0
187.14836	5.6
189.16359	2.2
191.17928	1.3
197.13269	2.3
199.14815	2.8
201.16315	2.9
203.17964	1.3
205.15872	0.6
211.14804	1.0
213.16396	2.0
215.17935	2.1
217.19449	1.1
219.21008	0.7
223.14867	0.7
225.16394	0.8
229.19502	1.1
231.21071	1.1
233.19188	0.6
241.19609	3.1
243.21021	2.9
245.18921	0.9
245.22728	1.4
247.20551	1.0
257.18973	0.7
259.20526	7.8
261.22098	10.6
263.23679	1.5
273.22046	1.3
275.19867	0.6
275.23645	0.8
277.21603	1.1
279.23224	0.7
281.21323	0.7
285.22150	1.1
287.23685	0.6
295.22552	0.6
299.23666	1.5
301.25351	1.0
309.24384	0.7
313.25314	0.8
315.26788	0.9
317.24823	1.6
331.26117	0.6
333.24170	4.8
335.25745	15.2
337.27347	7.8
341.28397	1.3
343.26230	0.7
347.25742	0.7
355.30194	0.8
417.35455	0.6
475.33417	0.7
489.35648	1.2
491.37131	0.7
503.36768	1.3
503.43112	0.8
517.39063	1.2
521.43396	5.6
529.38818	1.1
531.40222	0.9
539.44275	2.6
543.40308	1.5
556.32928	0.7
585.45929	0.7
595.47119	10.7
613.48114	100.0
614.48792	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	613.4813
Annotation	1.3-dilinolenin
Peak:m/z	Relative Intensity
53.03927	1.5
53.34258	0.7
55.01860	1.0
55.05503	14.7
57.03428	4.6
57.03666	0.7
57.07045	3.0
65.03927	2.9
67.05491	40.4
69.07052	15.4
69.59928	6.0
71.04979	1.9
71.08627	2.0
71.95137	0.7
78.59782	0.8
79.05476	22.4
81.07040	42.9
83.08612	8.5
85.06521	1.8
89.06026	1.5
91.05453	16.1
93.07027	26.4
93.07613	1.5
95.04951	2.6
95.08589	36.1
97.06492	1.8
97.10159	3.6
99.08057	1.5
105.07006	16.6
107.08578	16.8
109.06519	1.5
109.10137	16.4
111.04356	1.7
111.08078	1.1
111.11713	1.7
116.03562	0.8
117.06995	5.5
119.08554	16.2
121.10124	15.2
123.11702	9.0
125.09644	1.0
129.07001	2.4
131.08553	13.3
133.10106	13.4
135.11656	10.2
137.05954	12.3
137.13248	3.0
138.06252	1.0
143.08578	3.8
145.10089	12.8
147.11667	11.8
149.09598	1.0
149.13220	6.0
151.11186	0.9
151.14775	1.7
155.08548	1.3
157.10126	3.4
159.11662	10.9
160.84128	1.0
161.09564	1.5
161.13219	7.3
163.11128	1.8
163.14821	3.8
169.10155	1.2
171.11685	5.4
171.42438	0.9
173.13205	8.1
175.14754	4.3
177.16396	1.0
183.11682	2.1
185.13187	4.0
187.14824	3.7
189.16367	2.0
191.18021	0.9
197.13300	1.5
199.14833	2.6
201.16318	3.9
203.17874	1.9
213.16496	2.2
217.19560	1.4
229.19533	1.0
231.17404	1.5
241.19630	1.6
243.21172	1.8
249.18501	1.1
259.20444	5.7
261.22131	8.7
263.23801	1.5
277.18033	8.1
277.21344	1.7
285.22189	1.1
295.19040	3.3
299.23615	1.0
315.26791	0.9
317.24985	1.0
323.25726	1.2
333.24094	5.3
335.25760	13.1
337.27496	5.5
385.39557	0.9
489.35971	1.0
517.38721	1.1
521.43652	4.0
529.39331	1.3
539.44580	2.4
543.40192	1.8
595.47217	11.9
613.48151	100.0
614.48358	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	613.4816
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.1
55.05500	13.1
57.03432	5.1
57.07051	2.7
65.03923	1.1
66.48864	0.7
67.05492	35.8
69.07057	12.9
69.30920	8.2
71.04976	0.9
71.08620	1.7
73.06561	0.7
79.05047	1.4
79.05479	19.1
81.07043	40.3
83.08608	7.5
85.06512	1.3
89.06002	0.9
91.05454	15.3
93.07028	24.0
95.04964	2.8
95.08588	33.4
97.06530	2.5
97.10159	3.0
99.22707	0.6
103.37452	0.7
105.07014	17.7
107.08577	16.3
109.06499	1.0
109.10139	15.6
111.08070	1.0
111.11703	1.2
117.06995	6.9
119.08554	14.3
119.09338	1.1
121.10123	14.4
123.11675	8.0
125.09612	1.4
129.06990	2.7
131.08542	14.5
133.10103	12.9
135.11664	11.6
137.13248	2.3
139.11136	1.0
141.06990	1.2
143.08493	4.0
145.10092	12.2
147.11668	12.1
149.13232	5.7
151.14815	1.1
153.12717	0.8
155.08556	1.2
157.10094	3.7
159.11644	10.7
161.13228	5.7
163.14777	2.7
165.16393	0.8
169.10136	1.9
171.11687	4.3
173.13232	7.9
175.14774	3.9
177.12851	0.8
177.16377	2.0
181.10168	0.8
183.11652	2.2
185.13249	2.6
187.14801	4.7
189.16316	2.0
197.13287	1.1
199.14825	2.4
201.16403	2.5
203.17978	1.3
212.17253	0.8
213.16385	1.7
215.17998	1.9
217.19334	1.1
227.17943	1.3
229.19463	0.8
231.21072	1.3
235.11473	0.7
241.19511	2.6
243.21078	1.2
245.22684	0.8
259.20517	5.5
261.22107	7.1
263.23715	1.0
273.22122	1.5
277.21613	1.9
279.23093	1.2
287.23621	1.1
299.23682	1.5
313.25323	1.0
315.23288	0.9
317.24820	1.1
321.24307	0.8
327.26486	0.9
333.24228	4.3
335.25687	11.8
335.29303	0.9
337.27332	7.0
375.29068	1.0
457.79102	0.8
475.33957	0.8
489.36182	1.7
503.36826	1.7
521.43530	4.1
529.38605	1.4
539.44348	2.5
595.47028	10.3
613.48132	100.0
614.48352	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	612.322
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.0
55.01857	4.4
55.05492	7.1
56.05018	5.3
57.03428	3.9
58.11289	2.5
58.30369	2.4
59.34271	2.5
60.04513	3.0
61.55130	2.3
64.43770	2.5
66.96447	2.5
67.05504	22.6
69.03422	4.9
69.07066	7.4
70.06583	75.6
70.13607	13.6
71.04974	5.8
71.06906	2.6
71.08624	7.2
72.08128	11.9
73.02949	2.7
74.06087	3.7
79.05489	19.9
81.03392	12.7
81.07049	38.4
83.04959	6.5
83.08606	6.5
84.04483	5.8
84.08120	29.7
85.02885	19.7
85.06540	2.9
85.10148	3.4
86.09686	38.2
91.05424	17.7
93.07033	17.2
93.93453	2.5
95.04947	8.1
95.08582	33.1
97.02871	9.6
97.06531	6.7
98.21399	4.0
99.04456	2.9
99.08098	6.0
102.05515	3.3
103.05473	2.9
105.01809	4.0
105.03417	2.7
105.07011	23.9
107.04932	8.3
107.08589	13.7
109.02850	3.8
109.06503	10.5
109.10139	10.3
110.07122	5.4
111.04425	3.7
111.08051	3.7
113.09643	3.5
115.08700	3.9
116.07048	3.8
117.07021	4.1
119.08570	13.6
119.49111	3.1
120.08083	15.7
121.06440	3.7
121.10097	7.6
123.08047	45.4
123.11630	3.9
125.09547	3.2
127.03887	9.5
127.08599	3.1
129.10240	16.3
131.08583	15.9
133.06458	5.8
133.10120	22.3
135.07973	5.0
135.11656	10.4
136.07582	4.7
137.05971	8.4
141.08037	3.4
141.09090	6.9
145.10085	8.1
147.04301	3.2
147.11641	14.0
149.09608	8.1
151.07535	9.7
151.11179	4.9
157.10103	10.0
159.11711	5.6
161.09613	4.8
163.11153	10.0
165.12723	6.7
169.08594	4.9
171.11389	3.3
175.11180	7.1
177.16309	2.8
187.09610	10.4
191.14294	6.8
193.12193	10.6
211.13235	39.0
215.17873	3.1
239.17909	5.0
253.14404	3.7
257.18988	11.3
269.12836	13.8
270.13171	14.5
275.19986	48.3
287.13879	15.0
288.14102	23.5
293.21075	100.0
299.06293	3.4
301.11856	3.4
303.05078	21.1
304.05154	16.1
311.22073	6.4
326.20779	4.2
352.63620	3.5
355.09232	3.6
377.76923	4.9
506.07428	3.0
523.26062	3.8
559.52765	3.9
563.54553	2.9
611.95129	3.5
612.26941	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	612.3214
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	2.0
53.03935	6.7
55.01863	12.4
55.05492	10.6
57.03425	5.8
57.07057	7.4
59.53042	2.1
61.02909	2.9
64.43157	2.5
65.03939	3.2
67.05164	3.3
67.05495	49.1
69.03413	21.2
69.07061	13.2
70.06583	12.7
71.01356	2.5
71.04977	8.1
71.08617	16.0
71.17230	6.3
72.08151	3.4
73.02911	4.8
79.05482	44.1
81.03407	31.3
81.07045	73.9
83.04965	9.3
83.08600	5.4
84.08134	4.6
85.02885	36.8
85.06541	4.3
85.10173	11.0
86.09684	6.1
87.00811	18.0
89.03696	2.2
91.05463	36.8
93.07028	38.6
95.04953	11.9
95.08592	66.1
97.02868	30.7
97.06525	13.4
97.10143	5.0
99.04425	6.4
99.08076	12.4
105.01846	18.7
105.07022	40.0
107.04933	8.7
107.08582	19.5
109.02856	18.7
109.06488	8.0
109.10114	13.4
111.04430	8.8
111.08052	7.0
113.09615	17.1
117.07000	7.7
119.04928	2.1
119.08557	27.8
120.08134	4.4
121.06462	6.8
121.10133	22.7
123.04391	2.3
123.08055	72.9
123.11705	8.5
125.09570	3.1
127.03890	31.3
129.01834	2.9
129.05432	3.3
129.06976	9.2
131.08560	34.0
133.06528	10.5
133.10109	51.2
135.08040	6.1
135.11652	17.0
137.05960	5.0
137.09599	4.8
137.13240	3.8
139.07538	3.7
141.09088	9.8
142.07758	4.3
145.04919	8.7
145.06485	3.0
145.10141	15.1
145.11287	1.8
147.08051	5.4
147.11656	28.1
149.09610	19.5
149.13229	9.9
151.07520	47.1
151.11154	10.9
153.12750	2.6
155.07010	3.6
155.08272	2.8
155.10736	3.4
157.08920	2.3
157.10080	13.6
159.02841	5.4
159.11687	10.1
161.09541	5.6
161.13243	4.2
163.11159	13.3
163.14803	2.8
165.12708	13.2
167.14249	2.7
169.08592	10.7
169.10030	4.4
169.12161	2.5
173.09584	2.4
173.13268	3.5
175.11156	25.3
177.12793	5.1
181.12138	3.2
187.09650	17.1
187.11095	3.3
191.14249	4.3
191.18063	2.7
193.12195	28.5
194.14053	2.2
195.13745	2.9
205.19534	3.0
211.13258	99.5
213.04016	5.9
215.17923	11.5
227.16321	3.1
229.14328	27.6
229.19438	9.0
231.05032	6.0
231.21109	6.0
233.19054	3.7
239.17873	3.1
241.25562	2.1
247.20442	3.2
249.06012	2.3
249.22095	8.0
251.19962	13.1
253.14294	2.9
257.18964	9.3
259.20621	3.5
267.23120	4.2
275.20004	34.6
277.21661	8.1
293.21069	100.0
295.15424	4.1
295.22754	10.9
303.04932	7.2
304.05292	9.0
311.22107	91.2
331.13937	3.7
364.21338	8.4
366.17090	3.1
441.17560	3.5
523.25397	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	611.4659
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82379	1.2
53.03931	1.7
54.85693	1.1
55.01859	1.9
55.05500	14.7
57.03422	4.8
57.07054	3.1
60.78798	1.2
65.03934	2.5
66.56673	1.3
67.05492	38.2
69.07058	13.3
70.12486	6.8
71.04969	1.7
71.08601	1.4
79.05476	26.0
81.07041	41.5
83.04964	1.9
83.08598	8.5
83.95043	1.1
85.06539	1.3
91.05449	28.0
93.06459	2.4
93.07024	34.1
93.07614	1.7
95.04960	3.0
95.08591	33.8
97.06484	1.6
97.10160	2.5
98.20841	1.6
99.08102	1.8
99.70509	1.1
103.05421	1.6
105.04503	1.2
105.07012	29.6
107.08578	17.7
109.10139	14.9
111.08011	1.8
115.05416	2.0
117.06975	12.6
119.08556	23.8
121.10115	14.0
123.08070	2.0
123.11694	4.2
128.06259	1.3
129.06985	7.8
131.08542	20.9
133.10117	16.0
135.11691	11.8
137.13177	1.7
141.06987	1.9
143.08522	12.6
145.10089	20.1
145.11127	1.8
147.11679	16.8
149.09608	1.6
149.13245	5.9
155.08505	3.9
157.10094	10.6
159.11649	15.9
161.13213	12.3
163.11148	1.7
163.14842	2.8
167.08592	1.5
169.10094	6.1
171.11690	10.8
173.13199	8.5
175.14803	5.0
177.16331	1.4
181.77058	1.3
183.11674	6.7
185.13240	9.4
187.14804	4.3
189.16408	2.0
191.90775	1.1
195.11624	2.9
197.13248	3.2
199.14764	7.2
201.16391	3.5
203.17958	1.5
203.77863	0.9
211.14807	2.9
213.16397	4.7
215.17920	2.6
223.14883	2.0
225.16402	2.2
231.21167	2.2
237.16382	1.8
239.17973	3.8
241.19547	9.0
257.18933	4.8
259.20541	18.6
261.22180	3.9
276.91034	2.0
287.23788	1.8
317.24759	2.0
333.24124	10.5
335.25714	18.3
353.28412	1.6
356.06970	1.8
396.29385	1.2
403.96631	1.5
488.24042	1.2
519.41547	6.9
537.42975	3.7
541.39539	2.1
565.91071	3.0
593.45337	9.1
611.46545	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.467
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97263	0.5
53.03931	2.1
53.39625	0.6
55.01864	1.5
55.05503	14.1
57.03434	5.4
57.07069	3.2
65.03931	1.9
67.05494	36.8
69.07056	12.9
69.75821	3.8
71.04971	1.5
71.08621	0.9
79.05482	26.0
81.03411	0.7
81.07047	39.5
83.04961	1.6
83.08602	7.4
85.06519	1.8
91.04884	0.7
91.05460	23.3
93.07031	32.9
95.04955	3.6
95.08591	30.8
97.06503	2.5
97.10173	3.1
98.20717	0.8
99.08085	1.8
103.05470	0.7
105.04505	0.7
105.07018	26.5
107.05030	0.6
107.08580	17.9
109.06477	1.0
109.10138	12.4
109.30297	0.6
111.08057	1.1
115.05415	1.0
116.06236	0.9
117.06996	10.3
119.08567	24.2
121.10130	14.3
123.08073	1.1
123.11679	3.7
125.09593	0.8
128.06189	1.4
129.05527	0.8
129.06981	7.8
129.07872	0.7
130.07741	0.7
131.08546	19.9
133.08600	0.8
133.10112	16.8
135.11679	8.8
137.09578	0.7
137.13243	1.7
141.06976	1.8
142.07776	1.2
143.08542	10.9
144.09241	1.3
144.69156	0.6
145.10098	19.5
147.08099	0.7
147.11662	14.6
147.12761	0.9
149.09573	1.0
149.13226	6.3
151.11118	0.8
155.08543	4.8
157.10112	9.3
159.11678	13.8
160.12126	0.6
161.09610	0.8
161.13232	10.4
163.11145	1.2
163.14841	1.9
167.08572	1.1
169.10124	5.0
170.10863	0.8
171.11662	10.3
173.13255	10.1
175.11215	0.7
175.14771	5.1
177.16429	1.3
181.10114	2.4
183.11687	6.1
185.13229	6.7
187.14825	4.7
189.16380	2.0
193.10307	0.7
195.11731	2.1
197.13223	4.3
199.14807	5.7
201.16385	2.5
203.18030	1.0
205.15868	0.7
209.13263	2.1
211.14873	2.7
213.16357	3.5
215.17969	1.5
217.19475	0.7
223.14781	1.4
225.16446	2.3
227.17992	1.9
229.15681	0.6
229.19539	1.2
231.21094	1.7
235.14767	0.7
237.16449	1.2
239.18027	1.5
241.19559	7.2
243.21083	1.9
249.16476	0.7
249.18842	0.7
251.17964	0.9
253.19572	0.6
257.18967	3.6
259.20514	16.9
261.22144	3.3
269.18878	0.8
271.20596	0.6
275.20044	0.8
277.21927	0.9
299.23856	1.0
311.23938	0.9
315.23239	1.5
315.27081	0.7
323.23471	0.6
325.25128	1.2
331.22784	0.7
333.24200	10.2
335.25787	18.8
337.27707	1.6
339.26819	1.5
353.28333	0.9
421.34750	0.6
435.32327	0.6
437.34476	0.7
449.34061	1.1
468.60577	0.6
477.22125	0.9
485.24005	0.8
487.35385	0.7
489.35687	0.7
491.22458	0.7
503.37347	0.8
519.42090	5.7
527.37158	1.2
533.24683	0.8
537.43176	2.9
541.38416	1.1
551.25977	0.8
565.90979	1.5
593.26434	4.2
593.45477	8.8
611.27997	14.8
611.46643	100.0
612.27832	1.2
612.47089	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	611.3628
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	6.1
55.01870	3.3
55.05495	16.9
57.03418	5.5
57.07053	11.5
61.02910	2.8
63.43280	2.2
67.05498	28.9
69.03402	11.1
69.07056	50.3
70.06582	34.9
71.04983	15.7
71.08606	3.7
71.57405	2.4
71.57804	2.6
72.08145	5.5
74.56355	2.3
77.61870	2.4
79.05476	19.8
81.03415	16.7
81.07040	100.0
83.04952	4.9
83.08582	16.0
84.04462	3.4
84.08128	12.2
85.02885	28.7
85.06492	15.2
86.09683	23.5
87.00777	3.7
87.04398	2.9
91.05476	10.1
93.07027	35.6
95.04941	4.0
95.08590	83.7
97.02885	9.5
97.06506	13.3
97.10150	9.9
97.71979	2.7
98.98447	3.6
99.04443	3.6
99.08070	4.8
103.03928	4.4
105.01853	5.5
105.07011	17.9
107.04928	7.1
107.08563	41.1
109.02847	6.0
109.06502	3.8
109.10136	50.8
111.08067	13.7
111.11719	9.7
117.06953	3.9
119.08563	11.2
120.08079	7.9
121.06482	3.1
121.10117	27.7
123.11678	44.8
125.09574	5.3
125.13219	5.0
127.03895	12.3
129.05478	4.2
129.10204	7.9
131.08522	4.7
133.10106	9.9
135.07986	3.4
135.11646	23.9
137.05974	3.6
137.09651	3.8
137.13225	29.8
139.11192	4.6
145.04930	4.5
145.97400	2.4
147.11598	13.9
149.13225	23.5
151.14827	6.2
153.12700	17.1
155.14291	6.5
159.02901	2.9
161.13272	8.7
163.14838	13.4
165.12672	12.6
167.14287	4.4
171.13800	4.6
171.39748	2.9
175.14807	3.5
177.16377	7.1
179.14333	3.6
181.15729	2.9
183.13718	3.5
191.17841	6.3
201.14725	2.8
203.17897	4.5
217.19463	9.2
223.48450	2.8
235.20493	7.2
259.09467	2.7
261.25616	3.9
273.25803	9.4
279.26752	10.1
287.13824	8.7
287.22073	7.6
291.26764	36.4
292.19305	2.9
297.27753	6.4
303.04932	84.1
304.05347	7.3
309.27811	37.1
327.28836	21.1
356.07086	3.0
405.76633	2.7
419.11197	6.2
521.31287	3.2
611.30432	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	611.3628
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41376	4.1
55.01836	7.5
55.05499	11.9
56.64572	3.5
57.03418	4.4
57.07054	10.1
67.05490	28.4
69.03403	16.0
69.07049	48.0
69.49286	20.8
69.49692	8.7
70.06586	33.4
71.04965	16.6
71.08626	4.9
72.08119	9.5
73.02877	4.9
79.05464	19.7
79.19846	4.1
81.03416	20.1
81.07041	100.0
82.07381	5.2
83.08632	18.5
83.33159	3.8
84.04449	6.1
84.08143	18.3
85.02887	41.8
85.06522	13.8
86.09682	26.6
87.00807	8.7
91.05465	12.7
93.07029	34.9
95.04958	6.3
95.08586	81.1
97.02299	4.6
97.02846	21.7
97.06503	18.7
97.10172	7.3
99.04432	4.5
99.08063	9.1
103.05447	3.4
105.01846	16.3
105.07003	14.2
106.96593	3.4
107.04916	6.2
107.08553	35.3
109.02856	12.7
109.10133	57.9
109.10836	6.6
110.07102	4.0
111.08073	11.6
111.11688	11.0
115.05463	3.3
117.06971	4.3
119.08556	19.8
120.08067	11.2
121.06448	4.1
121.10110	16.7
123.11679	41.2
125.09596	5.2
127.03883	18.3
129.05461	6.7
129.10211	10.2
131.08543	5.9
133.10121	6.5
135.07996	7.2
135.11681	23.9
137.09537	3.9
137.13235	29.5
145.04907	6.7
145.10023	4.2
147.04326	4.7
147.11638	10.6
149.13216	29.7
153.12685	12.5
155.14311	3.7
159.11583	4.9
163.03886	6.3
163.14763	12.0
165.12752	10.3
169.12209	3.9
175.14690	4.7
177.05449	4.5
177.16403	7.1
178.11867	4.0
193.12355	4.1
217.19548	4.3
231.04982	5.9
260.07385	7.3
273.25629	11.5
279.26816	8.2
291.26743	45.1
297.27573	4.5
303.04938	81.7
304.05103	8.5
309.27692	31.6
327.28894	19.2
355.07101	4.0
356.06598	4.9
399.28751	5.0
419.10913	10.3
431.24329	4.2
503.29889	5.3
521.31067	4.0
537.24023	3.7
552.22522	3.8
593.28070	7.9
611.29382	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	611.1592
Annotation	Rutine
Peak:m/z	Relative Intensity
53.03938	0.2
55.01864	0.2
57.03421	1.6
61.02905	0.4
64.21483	0.2
67.34081	0.2
68.71832	0.2
69.03399	0.8
70.08568	0.3
70.08990	0.7
71.04980	9.5
73.02888	0.4
75.04454	0.6
81.03384	0.5
83.04965	0.4
85.02890	13.3
87.04432	0.4
93.03375	0.2
97.02846	1.1
99.04421	0.4
109.02818	0.5
111.00770	0.6
111.37366	0.2
121.02834	0.6
123.04417	0.2
127.03922	0.9
129.05458	3.7
137.02324	1.7
143.16435	0.2
145.04948	0.7
147.06497	1.2
149.02240	0.3
153.01788	2.1
161.06058	0.2
163.03896	0.3
165.01793	1.8
166.02666	0.2
173.05864	0.2
183.02863	0.5
195.02811	0.4
201.05458	0.9
229.04910	2.6
247.06073	0.3
257.04355	1.5
261.05695	0.2
274.04691	0.5
285.03915	1.1
301.72672	0.2
303.04938	100.0
304.05295	1.9
465.10257	1.0
499.65845	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	610.3478
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97953	0.1
68.05024	0.3
70.06581	56.8
70.80310	0.5
70.80663	0.2
71.06914	0.5
71.64508	0.2
72.08145	0.3
74.38670	0.2
77.93136	0.2
80.13170	0.2
81.03411	0.2
84.04493	0.2
84.08135	1.5
85.02911	0.3
86.09698	0.2
96.08126	0.2
97.22940	0.2
100.07614	0.2
107.04939	4.5
108.05256	0.2
122.09668	0.2
124.07591	0.2
126.09121	1.3
134.09642	0.2
134.34502	0.2
136.11198	1.3
138.84384	0.2
145.06523	0.4
149.11942	0.2
149.13155	0.2
150.12770	1.1
155.87511	0.2
165.96811	0.2
167.13116	0.2
216.52832	0.2
226.85490	0.2
244.16919	0.6
256.16931	4.8
274.17966	100.0
275.18298	2.7
287.05630	0.4
355.06827	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.4506
Annotation	Batzelladine I
Peak:m/z	Relative Intensity
50.93959	0.7
51.02732	0.7
53.03940	1.3
55.01863	0.9
55.05505	11.2
57.03424	2.1
57.07069	2.7
65.03940	0.9
67.05156	1.5
67.05495	17.4
69.07066	10.5
71.04988	1.2
71.63369	1.1
73.82767	0.9
79.05485	12.2
81.07046	19.3
83.04965	1.1
83.08604	6.4
85.06527	1.4
89.05985	0.9
91.05437	9.1
93.07034	14.9
95.04971	2.6
95.08594	16.4
97.06526	1.7
97.10138	3.6
99.08078	0.9
103.05527	0.7
105.07016	11.7
107.08574	9.4
109.10138	7.3
111.08057	1.2
115.05458	1.1
117.06997	6.2
119.08570	9.4
121.10123	5.9
123.08054	1.5
123.11719	1.9
125.09570	1.0
128.06178	1.7
129.06985	8.2
131.08551	12.1
133.10112	10.0
135.11690	3.7
141.06976	4.6
142.07748	2.6
143.08543	12.2
145.10104	11.5
147.11667	5.4
149.13249	1.5
153.07016	1.5
154.07762	1.9
155.08531	9.2
156.09323	2.1
157.10114	12.0
159.11678	7.4
161.13222	2.3
162.98888	1.2
163.14769	0.9
165.06976	1.0
167.08556	3.5
168.09315	1.5
169.10124	14.0
171.11676	10.8
172.15512	0.7
173.13264	5.3
175.14861	1.9
179.08589	2.1
180.09377	1.2
181.10092	8.2
182.10863	2.2
183.11687	12.4
185.13222	8.2
187.14839	2.6
189.16278	1.1
193.10135	3.0
195.11674	6.9
196.12404	0.9
196.97366	1.1
197.13257	11.5
199.14801	4.9
201.16321	1.8
203.08733	0.7
205.10182	1.1
207.11768	1.7
209.13226	7.5
211.14784	6.9
213.16428	3.6
219.11800	1.1
221.13295	3.2
223.14758	4.7
225.16293	5.7
227.17944	2.6
235.14803	3.1
237.16264	4.1
239.17989	2.9
241.19725	1.8
247.14836	1.0
249.16368	1.5
251.17940	2.2
253.19611	0.9
255.21266	0.8
261.16431	1.2
265.19589	2.2
279.21243	0.9
281.18982	0.9
283.20377	1.0
291.21146	1.0
299.06430	0.9
305.22430	1.0
309.22226	1.0
311.23938	1.0
313.27234	1.1
323.23532	1.1
335.23642	1.4
337.25543	1.4
349.25159	1.1
351.26791	1.7
355.06854	1.6
363.27032	0.8
365.28506	1.6
367.26447	1.0
379.30246	0.9
383.20795	1.4
393.31866	1.0
409.31030	1.2
449.34769	1.3
454.75284	0.9
461.34073	1.1
499.39569	2.7
517.40381	13.4
535.41528	6.8
553.42365	1.0
555.43054	1.4
565.42230	1.2
573.42847	2.9
591.35681	0.6
591.43939	15.8
609.26544	2.2
609.45068	100.0
610.45416	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	609.3469
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	5.7
55.01859	6.5
55.05495	18.9
57.03419	5.3
57.07078	7.7
61.02913	3.0
62.33396	1.4
65.03922	2.3
67.05161	2.7
67.05493	33.4
69.03414	18.5
69.07052	38.1
70.06582	9.6
70.74354	3.4
70.74706	3.1
71.04628	1.5
71.04967	7.9
71.08607	2.9
72.08138	2.5
73.02894	3.4
78.77199	1.4
78.98254	1.5
79.05474	22.0
81.03397	20.2
81.07040	100.0
83.01286	1.6
83.04961	3.8
83.08603	12.9
84.08126	5.0
85.02892	43.2
85.06524	8.2
86.09673	5.8
87.00809	20.4
91.05419	19.6
92.92150	1.4
93.07024	61.2
94.98688	1.5
95.04951	10.2
95.08588	84.9
96.06442	1.5
97.02874	20.1
97.06521	6.3
97.10153	9.0
99.04430	9.2
99.08083	4.1
100.11246	2.2
105.01842	18.4
105.07012	26.5
107.04939	2.5
107.08568	40.5
109.02857	18.8
109.06502	6.0
109.10134	53.8
111.04433	2.9
111.08056	6.4
111.11715	8.3
111.12355	1.8
113.09636	2.2
115.03961	1.6
117.06998	5.5
119.08561	25.0
121.06464	3.5
121.10120	40.4
123.04367	3.1
123.08032	5.9
123.11688	42.3
125.09574	3.8
125.13218	2.7
127.03886	32.3
127.11175	5.4
129.01761	2.3
129.06978	1.7
131.08545	9.1
133.10110	26.4
135.08012	2.2
135.11668	22.9
136.07532	1.7
137.09598	6.5
137.13234	13.5
139.11168	8.9
143.08545	2.6
145.04939	10.7
145.10088	12.5
147.07991	2.0
147.11656	18.5
149.09605	2.1
149.13245	26.1
150.27992	1.5
151.11153	6.0
151.14853	2.8
153.12746	3.4
155.08472	1.5
155.10655	4.0
157.10042	1.6
159.02898	7.2
159.07991	2.2
159.11658	20.9
161.13228	12.8
163.14774	8.9
165.12735	4.7
167.07011	1.5
167.14320	3.0
169.12207	2.1
171.69536	1.6
173.13219	10.5
175.11032	1.5
175.14778	7.8
177.12827	2.2
177.16312	9.1
179.14281	3.0
179.17702	1.7
181.10033	2.0
181.15782	1.4
185.13187	2.0
187.14806	6.6
189.16275	7.6
191.17892	3.6
201.16309	4.7
203.17896	7.3
205.19499	3.6
213.03857	2.0
215.17932	28.2
217.19453	2.8
221.18845	2.4
231.04984	6.9
233.18974	26.5
245.22574	2.5
251.20033	26.9
259.24319	2.9
269.21124	3.3
271.24078	15.8
277.25186	5.3
289.25204	32.6
295.26294	6.1
307.26233	41.7
325.27274	11.8
415.28726	1.6
519.29803	2.7
537.30408	3.2
609.27631	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	609.2692
Annotation	Epoxypheophorbide a
Peak:m/z	Relative Intensity
55.05490	0.6
67.05486	1.7
68.95554	0.5
69.07050	0.8
69.45081	4.0
79.05483	0.9
81.07021	1.5
83.45951	0.5
91.05426	1.2
93.07029	1.6
95.04961	0.4
95.08602	0.9
105.06974	0.9
107.08573	0.8
108.89048	0.4
109.10148	1.0
113.03717	0.4
119.08552	0.9
131.08578	0.5
143.08623	0.6
145.10095	1.0
149.76273	0.4
159.11688	0.6
161.03825	0.4
299.54041	0.6
355.07001	0.7
391.19052	0.5
403.19427	0.6
405.20490	1.0
415.19296	1.2
416.19989	0.9
417.16940	0.7
419.22861	0.9
429.20782	2.6
430.21582	1.1
431.18192	1.0
432.19006	0.6
433.23929	1.7
443.22083	1.3
444.23019	2.0
445.19699	0.9
445.24634	0.6
447.22736	2.2
458.24554	0.6
459.21347	4.1
460.23087	2.1
461.19058	1.8
461.23569	2.5
462.20337	2.0
463.20871	0.7
472.22601	1.5
473.23267	1.4
475.20795	0.8
476.22034	2.1
477.22836	1.7
485.23398	1.6
487.25052	2.8
489.22635	1.9
503.24283	1.3
505.25659	0.6
519.23816	2.7
521.21741	3.0
531.23804	20.9
532.24609	2.1
540.17169	0.5
549.24921	12.1
550.25537	1.3
563.26398	0.7
591.25830	3.3
609.26923	100.0
609.44391	3.0
610.27289	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	609.2697
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07056	0.3
57.94296	0.2
60.99066	0.2
61.26871	0.3
67.05480	0.4
69.07042	0.4
69.62011	0.9
69.62431	0.8
71.08618	0.3
79.05469	0.6
81.07036	0.7
85.10146	0.2
89.06019	1.1
93.07024	0.4
95.08599	0.3
96.74586	0.2
100.34421	0.2
105.07031	0.4
119.08570	0.3
124.54271	0.3
131.08502	0.3
133.08624	0.6
159.11697	0.3
210.11543	0.3
223.12202	0.4
236.13087	0.3
238.14589	0.4
239.15569	0.2
251.15425	0.4
261.13348	0.2
376.17334	0.3
377.17691	0.8
378.18768	0.3
388.17667	0.4
389.18484	0.8
390.18451	0.5
391.19171	2.1
392.20078	0.9
393.20825	0.4
400.17264	0.6
401.17645	0.6
402.18314	0.4
403.19669	0.8
404.20584	0.5
405.20758	2.9
406.21759	1.7
407.22244	2.5
413.17706	0.4
414.18457	0.5
415.19128	1.5
416.20074	0.3
417.16580	0.3
417.21317	0.4
418.22131	0.6
419.18091	0.7
419.22314	1.1
420.23248	1.0
421.23801	3.5
422.24612	0.6
426.19308	0.3
427.19241	0.7
428.20270	0.5
429.20584	1.7
430.21869	1.3
431.18369	0.8
431.23077	0.5
432.19580	0.8
433.19888	1.1
433.24094	1.3
434.20572	0.4
435.21570	0.4
438.20798	0.4
442.21930	0.3
443.22263	0.7
444.23557	0.6
445.20450	0.7
446.21024	0.7
447.17285	1.9
447.32022	0.3
448.18484	0.4
449.23306	1.0
452.22128	0.5
456.19131	0.4
457.24619	1.2
459.21774	2.0
460.23611	1.3
461.19107	5.0
462.20416	1.9
463.20865	1.3
470.21637	0.4
471.17795	0.6
472.22324	0.8
473.19940	0.9
474.20068	1.4
475.21014	7.9
476.21738	6.0
477.22495	4.7
478.23761	0.6
479.24210	0.3
484.18860	0.3
485.23550	5.4
486.20029	2.5
487.19989	0.5
487.24918	1.0
488.22006	1.2
489.22949	4.7
493.21835	0.7
493.26920	0.4
494.26987	0.9
497.23480	0.6
499.21188	4.3
500.22064	1.5
502.23767	0.4
503.24567	6.4
504.24329	1.0
505.22052	0.6
507.23785	0.8
513.22943	0.9
515.24438	5.9
517.22308	2.0
518.23108	0.6
521.25897	3.2
531.23822	9.3
532.24274	0.6
535.23505	0.9
541.22174	0.7
548.24481	0.4
549.24835	3.0
550.25641	5.0
551.25543	0.4
559.23346	4.7
563.26526	1.2
577.24493	1.7
591.25909	10.3
592.27240	0.4
609.26941	100.0
610.27185	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2695
Annotation	Epoxypheophorbide a
Peak:m/z	Relative Intensity
69.60021	1.5
69.60448	1.2
117.31587	0.3
119.81735	0.4
195.09285	0.4
218.93282	0.4
238.14661	0.4
239.15303	0.5
254.79828	0.4
376.17291	0.8
377.17758	0.7
388.17874	0.4
389.18024	0.7
390.18948	0.8
391.19159	1.5
392.20038	1.3
401.17633	1.0
403.19699	0.8
404.20386	0.7
405.20889	3.2
406.21359	1.9
407.22015	2.8
415.19022	2.2
416.19742	0.8
417.20972	0.6
418.22009	0.6
419.18152	1.0
419.22565	1.1
420.23022	0.6
421.23938	4.7
422.24521	0.6
427.19586	0.7
429.20926	2.6
430.21857	1.8
431.17908	0.7
431.22949	0.6
433.20096	0.9
433.24234	1.0
435.21829	0.6
442.21674	0.8
443.22229	1.1
444.22913	1.6
445.20047	0.7
446.21341	0.6
447.17197	1.9
448.18997	1.2
449.23389	1.0
452.22058	0.8
457.24554	2.6
458.24814	0.6
459.21545	2.7
460.22491	1.2
461.19000	4.8
462.20398	2.2
463.21085	1.9
470.20526	0.5
471.17929	0.6
472.22687	1.2
473.19360	0.7
474.20187	0.7
475.20786	6.4
476.21771	6.6
477.22388	4.8
478.23422	0.7
479.24509	0.7
485.23483	8.7
486.19763	2.8
487.24850	1.3
488.21875	1.0
489.22812	4.1
490.20401	0.4
493.21881	0.5
494.26892	1.0
497.23376	0.5
499.21240	1.8
500.22119	1.6
501.22656	0.5
502.23376	0.4
503.24423	4.9
504.21082	0.5
504.25192	0.4
507.23929	0.6
513.22998	1.5
515.24347	7.8
517.22400	0.8
521.25946	3.2
531.23810	14.3
535.23523	0.7
541.22400	0.8
548.24408	0.6
549.24811	2.0
550.25677	5.3
559.23370	7.0
577.24591	1.5
591.25891	24.3
592.26270	1.2
609.26953	100.0
610.27368	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	608.3631
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.2
55.01868	3.6
55.05501	14.8
57.03431	3.6
57.07070	6.2
59.04994	2.2
61.02908	1.8
67.05495	21.1
69.03428	7.1
69.07058	45.3
69.45410	13.9
69.45828	4.4
70.06586	6.4
71.04990	3.9
71.08631	4.2
72.08154	2.8
76.39655	1.6
77.42172	1.7
79.05481	14.1
81.03424	6.6
81.07043	60.3
81.07497	3.1
82.13712	1.7
83.04987	2.9
83.08604	20.7
85.02908	8.5
85.06529	2.7
86.09708	6.4
87.00848	3.8
87.04498	2.9
91.05462	17.7
93.07029	100.0
95.04952	17.8
95.08593	46.3
97.02892	3.9
97.06493	9.1
97.10172	6.5
98.20712	2.5
99.08103	2.3
105.01865	4.5
105.07011	15.3
107.08574	30.7
109.02910	3.0
109.06519	6.5
109.10135	29.7
110.07176	2.1
110.47871	2.0
111.08042	13.1
111.11703	3.4
117.07075	2.5
119.08548	10.9
121.06545	4.2
121.10130	33.0
123.11687	29.7
125.09624	2.5
127.03959	5.3
131.08572	2.4
133.10135	8.2
135.08061	3.0
135.11668	12.4
137.09631	2.5
137.13287	6.4
139.11226	6.1
145.04958	3.3
145.10150	7.2
147.11671	10.3
149.09633	2.4
149.13228	19.6
151.11145	10.1
159.11682	6.9
161.13277	7.1
163.14796	2.1
165.12769	2.6
167.14272	4.2
173.13316	3.2
175.14909	5.1
177.12741	3.1
177.16409	3.3
185.15445	5.3
189.16457	3.3
191.17950	2.5
209.18970	3.4
214.43535	1.8
215.17949	3.6
231.21016	2.3
249.22076	2.0
263.23810	2.4
271.24170	14.7
283.45163	2.3
289.25214	43.0
290.25641	2.0
295.26120	13.2
307.26248	86.3
308.26608	2.7
325.27338	39.6
393.22620	2.5
411.23828	3.4
505.05508	2.2
531.95197	2.0
537.30420	2.3
577.26764	2.2
593.22400	1.8
608.27771	2.4
609.28455	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	608.2837
Annotation	Unknow
Peak:m/z	Relative Intensity
64.22437	0.1
65.11485	0.2
67.05492	0.2
69.03410	0.4
70.08279	0.1
70.43676	0.5
74.08505	0.2
76.01299	0.1
79.05478	0.2
90.30009	0.2
95.08607	0.2
97.02872	3.7
104.10749	0.9
105.07033	0.2
119.03571	0.3
136.06163	100.0
137.04553	0.5
137.06519	0.5
162.14278	0.1
215.16582	0.2
250.09271	0.2
287.05481	0.4
288.05807	0.3
333.19110	0.4
334.19299	0.5
348.06976	34.4
349.06998	0.3
608.25641	1.2
608.38483	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.4555
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01846	11.3
55.05501	50.1
57.03421	4.0
57.07052	14.2
65.03909	7.0
67.05491	90.1
69.03415	6.1
69.07059	53.2
69.94344	16.8
70.06563	6.9
71.04974	4.9
71.08268	5.4
71.08615	49.8
79.05051	4.4
79.05481	56.0
79.74266	3.1
81.03432	7.6
81.07044	100.0
83.04953	9.4
83.08607	44.8
84.08115	7.3
85.06519	9.9
85.10158	12.9
86.09695	7.2
91.05473	46.3
93.07015	70.4
93.98468	3.2
95.04967	23.4
95.08586	83.4
97.06508	12.7
97.10165	38.6
99.08071	35.9
105.07008	54.2
107.04893	5.3
107.08568	43.7
109.06499	9.3
109.10146	32.6
111.08060	14.9
113.05952	3.5
113.09611	11.3
117.06296	3.2
117.07006	20.0
119.08558	38.5
121.06506	7.2
121.10133	34.2
123.08025	7.2
123.11674	11.8
125.09592	19.3
129.06973	12.1
131.08536	27.4
133.10120	24.4
135.07983	6.6
135.11661	25.9
137.09579	5.8
137.13193	4.0
139.11145	10.0
140.34042	3.2
140.81627	2.9
143.08539	10.7
145.10068	20.2
147.07999	3.6
147.11687	22.5
149.09608	4.2
149.13226	16.9
151.11142	41.9
153.12723	4.2
155.08485	3.6
157.10127	10.1
159.11662	13.9
161.09575	5.3
161.13237	21.3
163.11134	15.2
163.14796	5.4
165.12712	12.4
169.10066	4.1
171.10237	4.0
171.11679	10.9
173.11766	6.4
173.13245	10.2
175.14781	10.5
177.12714	8.4
179.14192	17.1
183.11726	5.5
185.13226	9.2
187.14827	6.7
189.11136	19.0
189.16411	4.9
191.14302	4.2
195.13794	5.9
199.14723	6.7
217.15906	5.6
217.19565	5.2
223.12988	3.6
231.20959	5.6
241.19511	7.0
259.20514	10.1
273.21991	4.4
275.20032	4.0
277.18744	6.4
277.21600	87.6
279.23138	11.1
289.25043	6.4
293.21140	20.7
295.22614	56.3
301.25278	4.0
305.24612	6.9
311.05649	5.4
317.24524	5.4
321.24432	3.9
329.24786	4.4
355.26123	4.7
360.05560	3.5
375.12213	3.7
399.32458	4.2
401.34064	6.0
403.32153	7.1
411.14813	6.8
417.33524	9.0
435.33801	4.1
439.31573	3.8
445.32806	8.7
453.33841	4.4
455.34912	4.9
457.32794	8.2
459.34521	12.7
463.34070	27.5
471.34613	7.8
472.19443	4.5
473.36688	6.2
475.34027	18.2
477.35648	7.6
489.35681	17.3
516.12592	3.8
535.41113	6.5
553.42316	19.0
571.43286	35.1
589.44672	24.5
607.45972	17.8
608.24316	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2902
Annotation	Methyl pheophorbide a
Peak:m/z	Relative Intensity
52.74912	0.2
69.52924	1.5
74.01040	0.2
75.55434	0.2
98.21430	0.4
124.57406	0.2
173.95973	0.2
180.93097	0.2
209.11037	0.3
312.14682	0.3
389.17664	0.8
391.19095	0.2
401.17703	0.6
402.18420	0.6
403.19040	2.2
404.19891	0.6
405.20627	1.4
415.19437	0.5
416.19836	0.8
417.16565	0.9
417.21420	2.8
418.21686	1.7
419.22263	2.7
430.17508	0.4
431.18155	6.9
432.18451	1.3
432.24240	0.4
433.24023	6.5
434.24677	0.8
444.18546	0.4
445.19852	7.9
446.20670	4.1
447.21686	3.8
459.21420	3.9
460.22479	9.2
461.23248	9.5
462.20187	0.3
473.23566	3.0
474.24258	1.0
477.23090	0.6
487.24786	1.7
489.22733	0.7
491.24634	0.3
492.25250	0.8
504.25272	0.3
505.21567	2.1
506.26819	0.5
515.24420	0.5
519.24103	1.2
519.27057	1.0
532.24780	0.6
533.25513	0.4
547.26978	27.3
548.27393	0.6
563.24164	0.2
575.26526	0.8
579.29657	0.5
607.29047	100.0
608.29376	2.9
639.85138	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2901
Annotation	Methyl pheophorbide a
Peak:m/z	Relative Intensity
51.49952	0.3
55.27544	0.2
69.37225	0.6
69.37628	2.0
154.79906	0.2
207.09109	0.4
270.78717	0.3
389.17471	0.8
401.17761	0.3
402.18268	0.8
403.19177	3.1
404.20209	1.3
405.20743	1.3
406.20764	0.3
415.19214	0.7
416.19952	0.9
417.15717	0.3
417.21063	3.9
418.21564	2.0
419.22067	2.2
430.22253	0.4
431.18036	6.7
431.23471	0.4
432.18515	1.8
432.24261	0.5
433.24069	8.7
434.24631	1.3
444.18878	0.5
445.19742	8.8
446.20639	4.3
446.25348	0.3
447.21591	3.4
458.20764	0.4
459.21304	3.9
460.22443	12.2
461.23288	14.9
462.23541	0.5
473.23468	2.9
474.24072	1.1
475.21286	0.3
477.23199	0.5
487.24866	2.1
488.25967	0.6
491.24738	0.4
492.25000	0.7
505.21408	2.1
515.24628	0.7
519.27167	1.4
532.24677	1.0
547.26953	48.8
548.27325	2.5
575.26361	1.0
578.24927	0.4
579.29700	0.9
607.29016	100.0
608.29333	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	607.2538
Annotation	Kadangustin D
Peak:m/z	Relative Intensity
57.32981	0.5
67.05489	1.1
69.07080	0.5
80.05033	0.6
81.07032	1.7
91.05474	1.4
93.07063	1.0
93.92410	0.6
98.21611	1.1
99.84580	0.5
100.74889	0.6
105.06994	0.8
120.46677	0.6
120.49706	0.5
123.05544	1.6
133.10130	1.5
218.53293	0.7
308.43646	0.6
359.47171	0.6
387.16760	0.7
388.17075	0.6
389.17429	3.5
390.18362	1.2
391.18900	1.4
401.17572	1.1
403.19305	4.8
404.19955	2.4
405.20871	2.0
416.16000	1.0
417.16071	4.3
417.21097	2.4
419.22452	5.5
420.23407	0.9
430.17703	1.3
431.18161	8.4
431.23764	0.8
432.18851	3.3
433.20084	3.1
443.18924	0.6
445.20215	6.2
446.20880	5.3
447.21719	8.9
459.18283	2.8
460.18683	1.4
461.19290	1.5
463.25397	1.0
473.19226	1.1
474.20407	8.9
475.21069	12.2
476.21692	1.0
487.21140	2.0
490.23914	1.4
491.19907	0.9
491.24884	1.0
501.22852	1.3
505.21735	0.9
519.23944	13.0
547.23279	60.4
548.23602	3.1
552.28326	0.7
561.24957	1.6
579.26086	3.5
589.24469	1.0
607.25397	100.0
608.25812	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	607.2541
Annotation	Trigonosin B
Peak:m/z	Relative Intensity
57.39864	0.3
71.62781	0.4
81.07050	0.4
93.07010	0.4
95.08640	0.3
214.42213	0.3
251.11797	0.3
315.80792	0.3
338.16339	0.4
375.15970	0.6
387.15793	0.5
388.16870	0.8
389.17709	2.0
390.18198	0.7
391.19315	0.7
401.13544	0.4
402.18616	0.8
403.15210	0.5
403.19373	3.2
404.19995	1.7
405.20731	3.0
416.16290	0.8
417.16086	3.6
417.21109	1.8
418.17654	1.1
418.22113	0.6
419.22458	5.0
420.23102	0.8
430.17526	0.9
431.18280	6.7
432.19080	3.1
433.19934	3.3
444.19034	0.3
445.20242	4.3
446.15179	0.5
446.20996	6.7
447.21634	7.8
448.22565	0.6
459.17279	0.7
459.21991	1.3
460.18295	0.6
460.23361	0.4
461.19708	1.7
462.24640	0.5
463.25812	0.4
470.94427	0.3
473.23584	0.9
474.20288	5.0
475.21091	4.0
476.21225	0.4
477.22775	0.6
478.23502	0.7
487.21133	1.8
488.21909	0.5
489.23294	0.3
491.19989	2.8
501.22910	1.1
503.25012	0.4
504.21677	0.7
505.22516	0.9
506.23053	0.4
519.23987	16.6
520.24121	1.3
529.22705	0.3
547.23322	12.7
548.23352	1.0
559.25513	0.3
561.25732	0.3
579.25964	6.1
582.48187	0.3
607.25427	100.0
608.25781	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	607.2539
Annotation	Trigonosin B
Peak:m/z	Relative Intensity
67.97313	0.2
69.62767	1.6
73.23586	0.2
86.47964	0.2
87.33372	0.2
97.65647	0.2
110.37312	0.2
235.12277	0.4
260.23309	0.3
261.10056	0.3
287.14105	0.3
310.13657	0.3
374.15445	0.4
375.16135	0.4
376.17157	0.4
387.16339	0.3
388.16815	0.8
389.17499	2.2
390.18329	1.0
391.19147	1.0
401.17935	0.4
402.18430	0.7
403.14737	0.4
403.19571	2.9
404.20233	1.5
405.20706	1.9
406.21091	0.3
407.22528	0.3
416.16171	0.8
417.16089	2.9
417.21027	1.9
418.17383	0.9
418.21719	0.8
419.17786	0.4
419.22427	4.5
420.22733	0.8
430.17520	0.6
431.18268	6.4
432.18906	2.4
433.19891	3.1
445.20087	4.7
446.20963	5.9
447.21698	7.2
448.22900	0.4
459.17279	0.7
459.21896	1.5
460.23309	0.4
461.18866	1.2
462.24402	0.5
463.25275	0.4
473.24023	0.7
474.20303	4.1
475.20969	4.1
477.23340	0.4
478.23389	0.6
487.21448	1.6
488.21945	0.4
491.19748	2.4
501.22961	0.7
503.23712	0.3
505.22189	0.9
506.23090	0.4
519.24042	14.5
520.24146	0.9
547.23218	11.7
548.23901	0.9
551.26416	0.3
561.24872	0.4
579.25848	5.6
589.24677	0.4
607.25403	100.0
608.25641	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	607.2504
Annotation	Unknow
Peak:m/z	Relative Intensity
84.08130	0.3
86.79983	0.2
98.21600	0.4
129.02631	0.2
196.05777	0.2
201.09074	0.4
203.06999	0.5
221.08090	1.2
229.08458	0.4
229.12154	0.3
243.06241	64.4
244.06667	1.4
251.85245	0.2
257.07813	0.3
263.07581	1.0
273.11264	0.6
275.12750	0.5
281.08585	1.5
293.13702	0.8
297.11047	1.4
299.09818	0.5
315.11963	100.0
316.12305	3.3
333.12918	1.7
356.14612	4.2
434.64572	0.3
451.12512	0.5
465.13870	0.6
493.16904	0.6
507.18079	0.4
517.17102	0.8
535.17957	0.7
558.22058	0.3
597.08112	0.2
607.23889	7.3
608.24121	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	606.3989
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	11.4
55.01859	5.9
55.05510	26.0
57.03424	5.1
57.07061	11.8
65.03924	5.1
67.05495	88.9
69.03417	42.7
69.07047	33.4
69.71025	28.2
71.04961	6.9
71.08608	4.7
79.05482	33.8
81.03404	78.2
81.07049	100.0
83.04955	6.7
83.08611	19.7
85.02891	25.7
85.10190	4.1
87.04456	5.0
91.05470	28.6
93.07035	40.7
93.82863	3.3
95.04939	10.6
95.08591	73.7
97.02866	30.8
97.06532	4.6
97.10149	12.7
99.04434	9.2
105.07024	25.2
107.04949	23.3
107.08584	24.7
108.04462	5.6
109.02863	27.8
109.06495	6.1
109.10157	33.4
111.04467	7.4
117.06995	8.3
119.08545	20.5
121.06511	4.5
121.10123	17.6
123.08092	5.0
123.11670	15.8
127.03891	15.5
131.08560	15.8
133.10080	18.3
135.11673	9.9
137.13222	6.5
139.11201	4.4
143.08586	3.8
145.04945	9.7
145.10085	13.8
147.04485	4.4
147.11668	8.5
149.13335	7.0
151.14806	5.1
152.51115	3.5
157.10161	3.8
159.11682	6.7
161.13226	11.5
163.14796	5.6
173.13123	4.3
175.14764	11.5
177.12686	5.1
187.14803	6.1
193.15794	5.8
245.22699	10.7
261.22171	5.8
263.23645	31.8
275.23874	5.6
279.23227	5.3
291.23083	5.9
293.24725	8.8
299.23956	4.6
303.23151	6.7
305.24774	10.4
315.23181	5.3
317.24734	8.3
321.24069	5.6
329.24637	5.2
343.26324	4.3
347.25949	4.3
353.24750	13.5
361.27295	4.3
371.25629	32.0
378.42258	3.2
384.06778	3.5
389.26794	41.3
407.27805	43.7
425.28912	9.7
463.43182	11.9
607.25269	26.5
607.56519	3.6
616.61377	3.8
622.99030	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	605.2747
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67397	0.3
57.07055	0.4
65.18077	0.3
66.30795	0.3
67.05505	0.5
69.59926	2.1
76.57995	0.3
76.58743	0.3
78.51302	0.3
79.05461	0.3
81.07073	0.6
93.07058	0.4
93.66045	0.3
95.08603	0.5
119.02965	0.3
140.52672	0.3
160.00970	0.3
165.58228	0.3
317.67087	0.3
364.71103	0.3
399.15860	0.3
401.17789	0.9
404.20212	0.4
414.18448	1.2
415.19089	4.3
416.20078	1.8
417.20444	0.4
427.19589	0.6
428.20129	1.1
429.20728	5.7
430.21457	4.0
431.22372	1.7
442.22083	0.6
443.22684	3.5
444.23444	6.0
445.24368	3.8
448.26331	0.5
448.41855	0.3
456.19489	0.6
457.19763	1.1
457.24631	0.8
458.25610	2.4
459.21295	2.0
459.25745	2.5
460.22403	0.4
462.42572	0.3
470.20804	0.4
471.21747	1.1
472.22510	3.5
473.23401	4.6
474.24323	1.6
476.21869	0.5
485.23395	3.5
486.24072	1.7
487.24890	18.5
488.26108	1.9
489.22711	0.6
501.23303	0.5
503.24438	2.0
504.25241	0.5
513.22906	0.6
517.26361	2.2
518.23346	0.5
531.24091	0.6
532.24768	0.5
545.25342	17.9
546.26080	3.7
573.25110	1.5
577.27875	0.8
605.27478	100.0
606.27863	4.4
631.52734	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	604.3834
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	9.7
55.01849	7.3
55.05257	2.1
55.05503	26.4
57.03429	8.9
57.07043	4.6
61.30766	1.8
65.03924	3.3
67.05495	94.1
69.03077	2.8
69.03423	46.7
69.07058	24.2
69.34890	12.0
69.35324	6.9
71.01339	3.3
71.04984	11.1
71.08622	2.1
73.02904	4.3
79.05485	78.8
79.05949	3.7
81.03404	81.6
81.07046	100.0
83.04961	12.4
83.08617	12.4
84.08978	1.6
85.02895	29.3
85.06533	2.7
87.04449	5.5
89.06007	2.5
91.05467	53.6
92.05761	2.3
93.07032	93.6
94.65282	1.8
95.04956	12.1
95.08594	76.8
97.02876	43.4
97.06508	8.3
97.10134	6.5
98.21542	2.4
99.04431	12.6
99.08076	2.8
103.03912	5.1
105.07015	48.3
107.04943	32.8
107.08579	58.7
108.04462	9.3
109.02863	22.4
109.06501	6.5
109.10135	43.3
111.04433	12.2
111.08045	4.4
115.03901	3.0
115.07492	1.8
116.06264	2.0
117.05428	2.1
117.06994	26.4
118.72260	1.7
119.07775	3.2
119.08568	37.7
121.06515	8.2
121.10130	52.4
123.04411	3.1
123.08035	6.6
123.11678	15.7
125.09599	3.7
126.05506	2.8
127.03896	21.4
128.06192	1.9
129.05472	4.2
129.07010	11.2
131.04878	2.8
131.08560	38.9
133.06430	4.3
133.10107	34.5
135.08023	7.2
135.11662	33.0
137.09563	4.5
137.13171	4.4
139.11133	4.1
141.07005	4.4
142.07713	2.8
143.08543	12.7
145.04965	5.1
145.06435	3.4
145.10101	30.4
147.04359	3.1
147.08002	6.4
147.11646	24.0
149.05916	3.7
149.09596	5.0
149.13252	20.0
151.11162	2.3
153.12737	2.1
155.08511	6.3
157.06479	2.6
157.10123	12.8
159.07945	2.9
159.11678	24.4
161.09543	3.9
161.13234	16.2
163.07516	2.2
163.11154	5.6
163.14778	8.4
165.09032	4.9
165.12747	4.3
167.10641	2.2
169.10081	7.1
171.08142	2.1
171.11623	12.9
173.09543	2.6
173.13260	18.2
175.11157	4.0
175.14810	7.2
177.12732	10.0
177.16399	2.5
179.14243	3.2
181.10124	2.8
183.08015	2.5
183.11664	7.3
185.09593	3.4
185.13211	7.8
187.11148	5.3
187.14777	8.9
189.12775	4.1
191.14156	2.2
195.11600	3.2
197.13297	5.1
199.11131	4.8
199.14774	6.3
201.12640	3.2
201.16360	3.4
203.10599	2.1
205.12228	2.9
205.15829	2.6
209.13266	3.3
211.14819	3.4
213.12753	2.1
213.16455	4.1
215.14378	2.4
217.12178	2.7
227.14301	1.8
233.22508	2.9
241.19507	4.7
243.20979	7.7
245.18697	2.3
259.20547	12.2
261.22110	36.3
263.16354	3.2
271.17029	2.2
271.20386	3.5
273.22055	5.3
275.23605	3.0
277.14142	3.9
277.21579	12.1
279.23401	2.5
283.20346	2.1
285.21973	3.6
287.19684	2.0
289.17883	3.0
289.21454	7.2
291.23065	6.8
295.15311	1.8
297.22040	1.9
299.16486	2.1
301.21500	6.7
303.15778	2.1
303.23145	15.8
309.22028	3.3
313.21649	2.7
315.23187	8.2
319.22589	2.8
323.23737	3.2
327.23154	7.7
341.24847	8.8
345.24246	5.9
351.23141	15.7
357.24237	2.4
359.25735	2.3
369.24146	35.0
387.25330	35.2
405.26288	40.7
423.27292	12.5
445.93671	2.0
595.94116	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	601.4235
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	7.0
55.05505	37.3
57.07059	12.5
65.03924	5.9
67.05494	47.2
69.03413	12.2
69.07066	31.1
71.04220	13.1
71.04567	8.0
79.05481	40.2
81.07041	64.7
83.04949	14.3
83.08610	48.5
85.06521	11.7
86.09679	11.6
87.04420	7.7
89.05952	6.0
91.05469	61.9
93.07037	75.3
95.04932	31.6
95.08580	50.5
97.06517	20.6
99.04466	7.5
104.10721	27.8
105.07005	97.1
107.08578	74.9
109.06474	10.3
109.10138	44.9
113.09663	10.4
114.41469	5.5
117.06962	15.2
119.08554	100.0
121.06449	10.7
121.10133	74.1
123.08021	13.3
123.11647	12.2
125.09605	12.6
128.06215	12.2
129.06963	17.2
130.07707	6.6
131.08583	44.2
133.10115	48.6
135.08003	8.3
135.11658	21.2
137.09583	15.2
139.11154	10.2
141.06970	10.0
142.07721	19.6
143.08534	42.6
145.10091	71.2
147.07954	9.9
147.11664	22.6
149.09596	27.8
155.08470	11.9
155.10643	11.5
156.09341	14.9
157.10106	60.1
159.08022	11.4
159.11659	35.9
161.09523	14.0
163.11143	9.1
165.09077	10.7
167.08492	14.2
167.10646	52.1
169.10168	33.0
170.10814	11.8
171.11656	42.5
173.13225	28.4
175.11130	8.1
175.14777	22.0
179.08586	8.8
181.10085	24.1
181.12198	27.2
183.11649	25.6
184.12505	7.1
185.09566	8.4
185.13231	26.7
187.14714	7.1
189.12752	10.7
191.14037	6.7
193.10085	19.3
194.10976	6.0
195.11639	18.5
197.13217	38.3
199.14761	16.8
206.10863	8.4
207.11665	17.9
207.13754	11.3
208.93034	5.6
209.13242	21.0
209.15179	7.8
211.14807	18.9
213.16266	9.5
215.14233	9.7
217.15871	9.6
220.12418	8.2
221.13234	15.0
221.15399	23.4
223.14807	17.6
225.12732	6.5
225.14584	14.3
225.16551	9.1
233.13324	9.8
233.15372	35.2
235.14696	10.0
245.13167	10.1
249.16347	10.8
251.17891	7.5
261.16461	7.5
263.17813	9.5
269.19046	7.3
277.19492	6.0
283.20529	9.2
305.14282	7.9
361.25272	9.4
415.29672	7.2
565.40118	11.1
583.41315	28.0
601.42029	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	601.423
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	3.3
55.01866	1.2
55.05511	7.7
57.03419	1.1
57.07065	7.3
59.04982	2.8
59.74525	0.9
62.70227	1.0
65.03923	1.7
65.56665	0.9
66.91937	0.9
67.05495	11.9
69.03403	5.5
69.07050	7.3
70.37426	0.9
71.04986	1.2
71.34900	1.4
79.05482	13.4
81.07047	20.2
83.04955	4.5
83.08611	4.6
83.49603	1.0
85.06540	4.8
91.04893	1.1
91.05470	25.5
93.07030	36.6
94.07323	2.0
95.04953	7.2
95.08031	1.9
95.08596	20.4
96.08926	1.3
97.06520	3.9
99.08098	1.4
103.05471	1.5
105.07015	39.8
106.07339	2.6
107.05002	1.1
107.08575	22.7
108.08847	1.7
109.06503	8.4
109.10141	12.0
110.10457	1.6
111.08070	2.8
113.09589	1.6
115.05471	3.0
117.07001	11.0
119.08566	40.8
120.08926	3.5
121.06474	4.4
121.10132	21.7
122.10504	1.2
123.08047	15.3
123.11697	2.9
125.05996	3.8
125.09589	1.7
126.55392	1.1
128.06229	4.6
129.07021	7.6
130.07770	2.9
131.08548	18.1
132.08879	1.3
133.06470	3.5
133.10101	20.1
134.10417	2.0
135.08049	10.3
135.11684	9.3
137.09592	13.5
138.09918	1.3
139.11186	1.5
141.06979	2.8
142.07762	7.0
143.08554	14.2
144.09251	4.0
145.06459	1.7
145.10107	30.7
146.10472	3.7
147.08022	19.4
147.11667	9.0
148.08395	1.6
149.09610	4.4
151.07507	10.1
153.09001	1.1
154.07869	1.1
155.08534	5.2
155.10655	3.2
156.09348	7.5
157.10106	25.6
158.10724	4.1
159.08051	3.2
159.11690	19.4
160.08849	3.8
160.12013	1.9
161.09581	5.8
161.13242	7.5
163.11153	7.0
164.11487	1.9
165.06998	1.8
165.09100	40.9
166.09509	2.5
167.08566	3.6
167.10690	1.1
168.09268	3.3
169.10121	9.7
170.10826	4.3
171.11694	17.0
172.12198	3.6
173.09595	3.2
173.13266	9.8
175.11223	7.0
175.14784	5.8
176.11571	1.6
177.09122	1.3
177.12735	1.9
179.08559	4.2
179.10472	1.1
180.09204	2.5
181.10123	7.4
181.12187	9.0
182.10892	4.3
182.12418	1.3
183.11665	11.8
184.12148	2.4
185.09573	1.9
185.13226	7.9
186.13776	1.5
187.11139	2.3
187.14839	5.0
189.12689	4.9
190.13443	1.2
191.14272	1.9
192.09335	1.7
193.10132	3.0
193.12245	2.6
194.10928	3.1
194.80330	1.0
195.11708	7.9
196.12350	3.1
197.09505	1.1
197.13235	10.1
198.13573	1.6
199.11177	3.1
199.14810	3.3
201.12714	1.7
201.16403	2.3
203.14334	14.6
204.14697	2.3
205.10117	1.6
206.10927	2.2
207.11665	4.6
207.13795	7.4
208.12355	3.2
208.14429	2.7
209.13235	8.7
209.15125	2.1
210.13870	2.4
211.11134	1.6
211.14757	3.5
213.16371	2.4
215.14320	3.0
219.11646	1.7
219.13748	1.2
220.12390	1.2
220.14447	1.0
221.13350	4.3
221.15324	100.0
222.13751	1.9
222.15656	9.2
223.14801	4.0
225.12737	1.5
225.16380	2.6
226.16747	1.4
227.14259	1.2
229.15826	1.6
233.13231	1.6
233.15230	2.1
234.14076	1.2
234.16177	3.4
235.14728	2.7
235.16693	3.3
237.16368	3.8
239.14215	1.1
239.17973	1.3
241.15807	1.2
246.13943	1.4
247.14711	1.6
247.16882	5.3
248.17343	3.8
249.16270	1.5
251.17986	1.7
253.19344	1.3
255.17436	1.2
259.14780	1.3
261.16183	1.9
263.17874	1.8
265.19571	2.4
274.19342	1.6
275.20016	1.6
283.20636	1.6
285.18347	1.4
286.19281	2.4
287.20050	5.9
288.20401	1.4
297.22040	1.1
299.20081	3.4
300.20605	3.9
301.21674	2.1
312.20593	2.4
313.21570	3.0
325.21399	1.7
326.22113	3.3
340.23935	2.1
341.24298	1.9
349.25482	1.4
352.23956	4.3
353.24387	6.4
365.24905	1.5
366.25058	2.2
367.26263	2.7
375.26990	1.5
378.25247	1.5
393.27676	2.3
420.29700	1.2
427.27710	1.4
428.28790	2.6
440.29129	3.3
441.29547	8.9
455.31540	1.7
491.35135	9.2
503.35202	1.2
508.34869	2.2
509.36340	6.2
520.35516	2.4
521.35974	16.4
565.40289	2.8
583.41272	12.0
586.40369	1.2
601.42316	39.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.4228
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.8
55.05505	5.7
57.07068	8.1
59.04982	2.7
65.03941	1.3
67.05492	9.1
69.03415	6.5
69.07056	7.0
69.41139	2.2
69.41545	8.1
76.22243	0.9
79.05475	11.4
81.07047	16.9
83.04980	4.6
83.08619	2.9
85.06523	3.3
90.52222	0.9
91.05468	16.5
93.07032	28.8
94.07360	1.1
95.04935	6.3
95.08598	16.6
96.08972	1.3
97.06534	3.3
103.05479	1.5
105.07017	32.5
106.07324	1.9
107.08575	19.6
108.08875	1.5
109.06512	8.2
109.10133	7.6
111.08060	1.4
115.05441	1.8
117.06999	7.7
119.08566	35.3
120.08864	4.2
121.06529	4.9
121.10127	19.5
122.10534	1.4
123.08048	13.1
123.11704	1.8
125.05976	4.4
125.09650	1.2
128.06206	2.7
128.09219	0.9
129.07008	4.7
129.57854	0.9
130.07825	2.4
131.08557	14.1
132.08989	1.3
133.06509	2.0
133.10115	18.4
134.10483	1.1
134.12584	0.8
135.08043	11.2
135.11658	5.9
137.09615	11.8
139.07574	1.0
141.06989	1.8
142.07771	5.5
143.08553	12.8
144.09282	3.9
145.06410	1.3
145.10104	26.9
146.10460	2.6
147.08034	24.1
147.11661	6.1
148.08502	2.1
149.09602	5.9
149.13226	1.5
151.07544	11.1
153.07085	1.3
153.09114	1.1
155.08531	5.9
156.09309	4.8
157.10117	20.5
158.10674	3.0
159.08073	3.6
159.11682	14.8
160.12154	1.2
161.09608	5.5
161.13287	5.1
163.11160	9.4
164.11481	1.8
165.09094	44.9
166.09499	2.4
167.08618	2.0
168.09311	2.4
169.10104	8.0
170.10832	2.8
171.11664	9.4
173.09644	2.7
173.13225	5.5
174.10188	1.5
175.11192	4.0
175.14836	3.9
176.11526	1.5
177.09151	1.3
177.12674	1.6
178.09735	0.9
179.08582	2.6
179.10701	1.3
180.09048	1.2
181.10129	3.6
181.12221	9.5
182.10822	2.6
182.12479	1.7
183.11656	9.8
184.12277	2.5
185.09677	1.9
185.13235	6.2
186.10423	1.3
186.13779	1.6
187.11208	2.8
187.14801	4.7
189.12747	4.4
190.13506	1.8
191.10684	1.5
191.14204	1.1
191.21553	1.0
192.09422	1.2
193.10155	2.8
193.12112	2.0
194.10796	2.1
195.11696	4.8
195.13553	1.2
196.12405	2.3
197.09615	1.6
197.13249	8.7
198.13643	1.9
199.11131	1.6
199.14754	2.1
201.12773	2.4
202.13101	1.4
203.08401	0.9
203.14284	15.9
204.14651	1.6
206.10979	1.6
207.11687	3.4
207.13814	6.5
208.12434	2.3
208.14427	1.5
209.13246	3.7
209.15291	2.8
211.11058	1.2
211.14944	3.5
213.12801	2.2
213.16409	2.4
215.14191	1.1
219.11755	1.4
219.13745	1.5
221.13300	4.1
221.15332	100.0
222.13765	1.5
222.15698	9.4
223.14737	2.2
225.12679	1.6
225.16345	2.5
227.14349	1.9
233.13275	1.6
233.15366	1.9
234.16161	2.6
235.14867	3.5
237.16422	1.9
239.17928	1.7
247.14760	1.7
247.16962	6.2
248.17300	1.7
259.14667	1.5
261.18646	1.6
263.17996	1.7
265.15717	1.1
265.19574	1.1
271.17090	1.3
274.19202	2.2
283.20612	1.4
286.19266	2.7
287.20068	6.4
297.22064	1.7
299.20026	4.9
300.20691	3.8
301.21597	3.5
312.20749	2.2
313.21533	3.4
314.22110	1.3
319.20474	1.0
325.21533	2.5
326.21912	2.0
340.23743	2.5
341.24149	2.2
349.25342	1.2
352.23947	3.4
353.24332	5.4
365.24768	1.3
366.25204	1.6
367.26385	6.9
375.26770	2.0
380.26535	0.9
393.27863	2.4
403.91315	0.9
414.27057	1.9
421.30820	1.1
426.27151	1.7
427.28476	3.1
428.28864	2.6
440.29190	4.4
441.29517	7.8
455.30539	1.0
491.35236	8.9
508.35336	1.2
509.36090	2.8
520.35522	1.5
521.35870	12.4
522.36072	1.1
565.40607	2.1
583.41461	10.8
586.39978	1.6
601.42371	34.9
602.43042	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.4228
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.4
55.01852	1.4
55.05515	4.9
57.07065	6.6
59.04972	2.3
67.05496	11.7
69.03414	7.2
69.07059	5.1
70.88618	2.0
70.88977	2.2
71.04949	1.0
77.03896	1.0
79.05481	12.3
80.06219	0.9
81.03391	1.3
81.07047	18.6
83.04971	3.8
83.08599	3.1
85.06513	3.0
91.05464	17.7
92.05775	1.0
93.06457	1.8
93.07031	28.4
94.07323	1.4
95.04959	4.6
95.08591	19.5
95.09153	1.7
96.08936	1.0
96.17095	0.8
97.06510	3.0
103.05395	1.5
105.04414	0.9
105.07014	28.3
106.07307	1.5
107.04958	1.0
107.08583	18.1
108.08897	1.2
109.06506	6.7
109.10118	7.7
111.08057	2.7
115.05412	1.7
117.06990	6.3
119.08569	37.0
120.08909	2.9
121.06441	5.2
121.10127	18.8
122.02856	1.0
122.10406	1.1
123.08055	14.7
123.11662	1.6
125.05978	5.1
128.06183	2.7
129.06982	3.9
130.07796	1.5
131.08553	14.9
132.08948	1.2
133.06503	2.2
133.10115	17.2
135.08023	11.1
135.11674	6.9
136.28470	1.0
137.05983	1.0
137.09608	12.2
139.07518	1.6
139.11098	1.5
141.06981	1.6
142.07741	4.0
143.08533	13.2
144.09283	4.1
145.10114	28.0
146.10472	3.2
147.08032	24.1
147.09193	1.4
147.11673	6.9
149.09575	5.7
149.13278	1.2
150.10039	1.3
151.07526	9.9
151.11133	1.2
152.07932	1.2
153.07047	1.2
155.08539	4.3
156.09335	5.0
157.10101	18.1
157.11317	1.8
158.10672	4.0
159.08063	3.2
159.11684	17.8
160.12093	1.9
161.09563	4.9
161.13283	6.1
162.09912	1.0
163.11174	8.8
164.11668	1.1
165.09087	43.4
166.09404	3.2
167.08560	2.6
167.10635	1.3
168.09346	1.6
169.10086	8.4
170.10837	2.9
171.11685	10.2
172.12221	1.0
173.09610	3.0
173.13219	4.4
175.11147	5.4
175.14816	4.2
176.11572	2.0
177.12816	1.6
179.08710	1.7
179.10535	2.1
180.09325	2.1
181.10071	3.7
181.12207	11.2
182.10822	2.2
182.12605	2.1
183.11679	10.1
184.12192	2.0
185.09552	1.8
185.13229	8.2
187.11134	2.4
187.14828	3.8
189.12689	4.1
190.13446	1.4
191.10571	2.1
191.14276	1.5
193.10133	2.1
193.12216	3.1
194.10851	1.7
194.12436	1.4
195.11707	5.7
195.13583	1.4
196.12328	1.9
197.13243	7.8
198.13683	1.6
199.11090	1.4
199.14833	2.7
201.12730	2.4
201.16362	1.5
202.13145	1.6
203.14276	16.9
204.14645	3.4
207.11691	3.6
207.13794	5.2
208.12355	2.0
208.14253	2.1
209.13226	6.2
209.15094	2.2
210.13725	1.4
211.14778	5.1
213.12729	2.3
213.16397	2.0
215.14362	1.2
219.11758	1.4
219.13828	3.0
221.13344	3.9
221.15331	100.0
222.13708	1.6
222.15681	12.2
223.14705	3.1
225.16196	1.1
227.14253	2.5
227.17967	1.3
229.12309	1.1
229.15869	1.4
231.11674	1.4
231.13757	2.0
233.13249	1.6
233.15407	1.4
234.16130	4.3
235.14668	1.4
235.16705	2.6
237.12799	1.3
237.16409	2.4
238.16931	1.3
239.14185	1.2
239.17928	1.2
241.15968	1.0
245.13229	1.3
247.14725	1.4
247.16949	5.4
248.17311	3.1
249.16313	2.1
253.15927	1.6
259.14670	1.1
261.16162	1.4
265.19455	1.1
269.18927	1.0
274.19238	2.6
275.19919	1.4
283.20447	1.4
285.18622	1.8
286.19147	2.8
287.20087	6.4
288.20319	1.4
297.22430	1.8
299.19986	5.5
300.20618	3.9
301.21646	3.6
311.19968	2.1
312.20718	2.1
313.21375	2.2
314.21896	1.3
325.21457	2.3
326.21902	3.2
340.23935	2.1
341.24301	3.2
349.25272	1.4
352.24014	5.4
353.24341	5.7
365.24878	2.2
366.25323	1.8
367.26306	4.2
375.26733	1.3
378.25513	1.0
393.27686	2.3
399.05978	1.1
413.27237	1.1
420.29901	1.5
421.30893	1.4
421.54526	1.2
426.27197	2.0
427.28366	3.1
428.28613	2.5
440.29147	3.5
441.29517	11.9
443.31247	1.3
491.35129	8.4
509.36169	3.0
520.35406	2.1
521.35803	18.6
565.40204	1.2
583.41357	11.4
601.42285	39.4
602.42932	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	601.4224
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	2.3
53.03928	6.4
55.05504	19.8
56.15243	2.1
57.07060	6.9
59.01022	2.2
59.04980	5.6
65.03922	4.6
65.22767	2.5
67.05489	35.5
69.03409	15.0
69.07054	20.5
71.04977	3.2
71.10110	4.9
77.03915	3.7
79.05476	35.8
81.07045	46.8
82.07390	3.5
83.04956	20.5
83.08618	16.0
85.06523	6.9
87.04460	3.0
88.90635	2.5
91.05459	62.7
93.07027	83.8
95.04955	28.4
95.08590	42.8
96.05293	2.8
97.06502	13.9
97.10159	3.2
103.05460	4.2
105.07010	100.0
106.07336	4.1
107.04927	3.9
107.08577	82.5
108.08934	4.1
109.06499	12.6
109.10134	39.3
111.08069	5.0
111.11673	2.5
113.09624	5.9
115.05452	6.6
117.07011	23.8
119.08562	94.4
120.08835	6.1
121.06521	11.8
121.10124	90.1
123.08051	19.4
123.11696	10.5
125.09634	12.4
128.06177	14.1
129.06998	17.0
130.07742	10.2
131.08553	42.6
132.08893	2.9
133.06480	4.5
133.10112	58.9
135.08032	18.7
135.11673	19.1
137.09583	8.8
139.11108	4.5
141.06952	12.4
142.07767	24.9
143.08543	40.1
144.09352	11.9
145.10101	66.2
146.10510	7.4
147.08028	13.4
147.11641	20.9
149.09575	21.1
151.11113	4.5
153.06874	3.3
154.07732	3.4
155.08514	18.7
155.10672	6.3
156.09334	19.0
157.10100	57.2
158.07246	3.4
158.10753	8.5
159.08034	16.8
159.11659	36.9
160.08763	2.9
160.12030	3.5
161.09612	14.1
161.13246	8.6
163.11160	8.6
165.06999	3.0
165.09109	7.3
166.07677	2.5
167.08487	11.0
167.10661	62.0
168.09283	7.0
169.10112	31.5
170.10788	9.8
171.11650	35.8
172.12016	4.8
173.09544	4.0
173.13229	22.2
174.13588	4.1
175.11150	12.1
175.14793	15.5
179.08485	15.5
180.09268	4.9
181.10074	15.9
181.12187	6.4
182.10832	10.7
183.11641	29.2
184.12157	7.5
185.09532	7.4
185.13226	22.6
187.11145	8.4
187.14748	12.1
189.12709	10.2
191.14229	7.3
193.10092	11.3
194.10820	12.6
195.11670	26.9
196.12318	9.6
197.13193	23.2
198.13701	5.4
199.11093	4.8
199.14766	12.4
201.12689	5.5
201.16306	9.7
203.14308	9.9
205.10022	4.3
206.10870	7.2
207.11632	14.9
207.13565	4.5
208.12448	8.4
209.13220	26.1
209.15115	5.6
210.13802	6.7
211.14751	21.6
212.15309	3.7
213.12662	6.0
213.16391	3.7
215.14178	4.9
217.15869	3.9
219.11510	5.1
220.12459	3.9
221.13193	13.7
221.15327	18.1
222.13760	5.5
222.15877	3.7
223.14769	18.1
224.15178	4.9
225.12698	3.7
225.16397	9.7
227.14227	5.3
228.14484	3.1
229.15865	3.7
231.11891	4.1
233.13223	7.3
233.15317	35.6
234.13802	4.4
234.15895	6.2
235.14726	8.9
236.15253	3.2
237.16295	10.2
239.17807	4.1
241.19395	3.9
245.13203	4.1
246.13783	2.9
247.14627	4.4
247.16884	4.7
249.16249	6.1
251.14175	2.9
251.17833	6.0
253.19455	5.3
255.17372	8.5
256.17761	4.6
257.13095	3.8
259.14615	5.0
260.15433	3.5
261.16254	5.2
262.16776	3.2
263.17932	3.7
265.19598	3.0
267.17413	3.2
269.18961	8.1
271.14798	3.3
271.20395	3.5
273.16028	3.3
273.18594	4.8
277.19418	3.2
281.18945	4.3
283.20538	9.7
285.18451	3.8
287.20102	3.7
289.19406	3.6
295.20490	5.8
299.19998	6.4
315.20816	3.3
349.25311	3.8
361.25098	4.6
491.35004	4.1
565.40021	9.0
583.40985	7.8
601.42114	11.6
603.96826	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	601.2999
Annotation	Scutianine J
Peak:m/z	Relative Intensity
53.03931	1.8
55.01863	0.9
55.05510	4.9
57.03096	0.5
57.03408	0.8
57.07048	1.5
65.03953	0.6
67.05165	0.8
67.05499	11.4
69.03417	5.7
69.07064	5.1
69.09853	0.5
69.52644	3.9
71.04967	1.5
71.08589	0.6
71.33719	0.5
74.69851	0.5
79.05484	11.3
81.03409	7.7
81.07047	14.0
83.04965	2.6
83.08595	2.5
85.02901	3.0
85.06532	1.1
87.04450	2.2
89.03887	1.3
89.06033	8.2
90.06355	0.9
91.04951	0.9
91.05471	9.7
91.98927	0.5
92.05785	0.8
93.07033	14.3
94.07369	0.7
95.04961	3.5
95.08036	0.8
95.08598	10.5
96.05319	0.5
97.02892	3.7
97.06512	1.9
97.10139	1.0
98.20660	0.5
99.04378	1.2
99.08063	0.7
103.03835	0.6
103.05484	0.6
105.03379	1.3
105.07019	12.7
106.07341	1.3
107.04932	1.4
107.08585	9.2
109.02847	2.1
109.06492	2.2
109.10139	5.8
111.04432	1.5
111.08086	1.2
113.05947	0.7
116.46243	0.6
117.03378	1.0
117.07002	4.5
119.08569	9.7
120.08895	1.0
121.06479	1.7
121.10133	9.2
123.04434	3.7
123.08047	1.5
123.11686	2.5
125.09589	1.1
127.03919	1.4
128.06197	0.9
129.06973	2.2
131.08551	6.7
131.19173	0.5
132.08917	1.1
133.02840	9.5
133.08588	5.5
133.10117	7.5
134.08884	1.3
134.10468	0.8
135.04399	2.8
135.08018	2.0
135.11664	5.1
137.09607	1.4
137.13197	0.8
139.11201	0.8
141.06953	1.1
142.07756	1.3
143.08568	4.7
144.09229	1.0
145.04964	0.8
145.06404	0.7
145.10101	8.8
146.10477	1.4
147.07991	0.6
147.11674	4.4
149.09572	1.5
149.13223	2.0
151.07509	0.9
151.11192	0.7
155.08502	1.4
156.09338	1.0
157.10135	4.7
158.10594	0.9
159.08055	1.7
159.11681	5.6
161.09541	1.4
161.13222	2.7
163.11171	1.3
163.14827	0.7
165.07025	0.8
165.09166	1.0
167.08534	0.9
167.10661	2.2
168.10930	0.7
169.10031	1.8
170.10495	0.7
171.11659	3.8
172.12053	1.0
173.09561	1.0
173.13249	4.2
175.11162	1.0
175.14798	1.8
177.11186	2.2
177.12601	0.9
179.03375	100.0
179.14293	0.7
180.03737	1.3
180.09085	0.8
181.10112	1.7
181.12213	1.3
182.10657	0.7
183.11633	2.3
184.12172	0.8
185.09627	0.7
185.13187	2.9
187.11223	0.8
187.14854	1.4
189.12755	1.6
191.10666	0.6
193.10245	0.9
195.11708	1.5
196.12199	0.8
197.13182	1.9
198.13693	0.8
199.14870	1.5
201.12679	0.8
203.14233	0.8
207.11711	1.0
207.13693	0.9
209.13162	1.8
210.13811	0.9
211.14774	0.9
213.12724	0.6
213.16252	0.9
215.14172	0.8
221.13383	0.9
221.15372	3.0
223.14708	1.2
233.15390	1.0
234.15800	0.7
237.16270	1.4
239.17966	0.6
240.14165	0.6
243.20964	0.7
247.17053	0.6
249.16226	0.9
259.20654	1.1
261.16040	0.6
261.22153	2.3
269.19016	0.6
277.21634	1.8
279.60684	0.6
285.22192	0.7
299.20166	0.9
301.21225	0.9
303.23117	1.6
315.23254	1.2
322.25671	0.6
341.24707	0.8
351.23157	0.9
359.25980	0.5
369.24033	2.6
387.25269	2.0
405.26202	2.1
415.25278	1.8
416.25620	2.1
503.37164	1.8
558.39948	0.7
583.41290	1.2
601.26007	0.9
601.41882	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	600.4157
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	2.7
55.05487	8.5
57.07064	11.2
59.04963	4.8
62.45718	2.0
63.24829	2.1
65.03913	2.8
67.05494	23.3
69.03413	12.3
69.07064	11.4
71.08427	4.1
77.03940	2.3
79.05478	23.2
81.07043	25.7
83.04984	11.9
83.08592	7.3
85.06509	5.4
87.71988	2.1
87.72514	1.9
91.05457	38.9
93.07029	53.8
95.04953	16.2
95.08596	31.4
97.06506	9.5
103.05410	3.9
105.07010	74.2
107.04902	2.4
107.08570	48.6
108.93410	2.3
109.06489	17.3
109.10151	16.7
111.08041	4.3
111.13086	2.0
115.05434	5.9
116.06228	2.8
117.06980	17.3
119.08562	69.7
120.09335	3.1
121.06489	12.9
121.10118	42.3
123.08060	23.9
125.05962	5.8
125.09589	5.7
128.06197	10.9
129.06990	23.2
130.07756	7.2
131.08542	38.3
132.09244	3.7
133.06453	6.6
133.10101	41.2
135.08015	20.4
135.11673	12.4
137.06017	2.3
137.09575	13.2
139.07491	3.4
141.06976	8.0
142.07753	26.0
143.08548	40.8
144.09383	11.2
145.06427	5.5
145.09015	4.0
145.10100	53.9
146.10849	3.7
147.08023	29.7
147.11661	11.1
149.09587	18.6
150.10320	2.5
151.07542	16.7
153.06992	4.3
154.07730	3.4
155.08514	18.2
155.10477	2.5
156.09346	13.5
157.10097	66.1
158.07214	2.7
158.10834	7.7
159.08009	14.4
159.11664	35.5
160.08818	3.5
161.09601	21.3
161.13240	8.3
162.10355	3.3
163.11140	17.7
165.06908	4.9
165.09084	39.4
167.08527	8.0
167.10646	8.2
168.09305	5.9
169.10106	20.6
170.10928	11.7
171.11639	27.9
172.12376	6.8
173.09613	11.0
173.13254	15.7
175.11157	25.0
175.14804	3.3
176.11775	2.8
177.09059	4.5
177.12700	3.3
179.08524	7.8
179.10608	4.9
180.09358	3.5
181.10139	12.4
181.12038	10.2
182.10852	8.9
183.11700	23.6
184.12387	5.3
185.09521	3.7
185.13194	17.7
186.14043	5.5
187.11156	9.7
187.14763	8.7
189.12675	11.6
190.13557	10.2
191.10637	5.2
192.09320	3.3
193.10083	7.3
193.12192	11.7
194.10910	8.1
195.11659	20.7
196.08699	2.8
196.12370	5.5
197.09602	6.6
197.11636	3.8
197.13263	17.2
198.10318	3.9
198.13930	4.0
199.11104	8.9
199.14771	8.4
201.12700	8.1
203.14270	25.7
205.10086	2.9
206.10912	2.6
207.11931	14.9
207.13744	14.1
208.12497	4.6
208.14536	8.2
209.09541	2.3
209.13184	19.6
209.15372	6.4
210.13988	4.3
211.11130	6.0
211.14772	9.2
212.15405	3.0
213.12672	9.7
213.16434	2.2
215.14273	5.6
216.15024	2.6
217.12039	2.9
218.10760	4.3
218.16565	4.6
219.11655	6.4
219.13811	6.6
220.12318	3.8
221.13206	12.1
221.15294	94.8
222.15775	4.0
223.14777	11.5
225.12659	5.8
225.16348	6.4
227.14238	2.4
227.17841	2.0
229.12085	5.1
229.15855	4.0
231.11693	3.8
233.13214	4.2
233.15324	20.6
234.13977	2.9
234.16096	10.2
235.14806	8.3
235.16895	3.8
237.12646	5.1
237.14685	38.0
239.14175	4.6
245.13251	3.4
246.13969	4.1
247.14677	4.2
247.16866	13.7
248.13953	16.7
249.16414	6.3
250.15538	6.0
251.14200	3.5
253.15843	7.3
255.17361	24.5
259.14630	3.5
259.17038	4.8
261.16336	7.5
262.17090	2.8
263.14240	3.7
263.17770	3.8
267.17407	3.3
269.18851	3.5
270.19736	6.9
271.16895	6.2
273.18600	3.8
274.19336	12.8
277.19366	3.5
279.17343	5.0
280.17813	2.5
281.18829	5.5
285.18430	6.5
286.16660	1.9
286.19345	17.6
287.20184	12.7
289.19330	2.5
292.18356	2.3
294.19690	7.6
295.20364	4.0
297.18515	5.3
298.19366	2.6
299.20151	13.7
300.20630	2.7
303.19510	58.5
310.19199	2.9
311.20105	3.8
312.20731	5.7
313.21713	14.4
319.20392	2.6
325.21497	19.0
337.21597	9.9
347.23804	3.5
352.23880	100.0
364.23938	2.6
365.24689	22.7
377.24646	7.2
383.25827	6.0
399.25110	2.3
401.26947	2.9
420.30255	4.9
454.30899	3.7
487.31726	3.6
492.35434	2.9
502.34326	10.4
503.34894	6.1
505.33084	5.2
506.33286	3.2
507.34674	19.6
508.34799	9.7
520.35413	65.3
567.38257	2.6
582.40619	4.7
583.41425	4.3
585.39221	4.1
600.41492	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	600.4163
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	7.8
55.01862	2.6
55.05503	19.0
57.07056	9.1
59.04982	3.0
65.03938	3.4
65.56178	2.4
67.05499	32.1
69.03432	14.4
69.07064	18.8
70.55181	8.6
71.04974	8.3
77.03875	2.5
79.05482	38.0
81.07042	37.5
83.04979	16.0
83.08617	16.5
85.06531	10.5
87.04430	6.2
91.05467	51.6
93.07030	57.5
95.04960	22.1
95.08599	33.5
97.06545	12.8
97.10149	2.9
100.26094	2.4
103.05408	4.2
105.07014	100.0
107.04933	4.3
107.08578	66.4
109.06518	20.1
109.10143	37.0
109.10883	2.0
111.08060	6.8
113.09630	5.1
115.05457	8.7
116.06231	4.0
117.07008	25.5
119.04863	2.6
119.08561	80.4
120.09325	3.1
121.06476	15.1
121.10128	49.8
123.08061	33.2
123.11713	6.0
125.09625	14.3
128.06210	14.0
129.06989	25.4
130.07784	11.6
131.08542	49.5
132.09320	2.7
133.06479	6.1
133.10120	49.3
134.10899	3.5
135.08037	20.6
135.11731	11.5
137.09579	10.5
139.11171	5.8
141.07008	12.1
142.07771	33.5
143.08545	50.8
144.09311	14.4
145.06459	8.6
145.10112	72.1
146.07272	3.7
146.10866	4.7
147.08003	15.3
147.11681	26.4
149.09572	19.9
150.98668	2.3
151.07535	10.3
151.11124	4.2
153.07004	6.9
155.08548	21.8
155.10608	13.5
156.09322	30.6
157.10110	76.6
158.10881	11.4
159.08035	19.6
159.11668	48.6
160.08786	7.2
161.09592	18.3
161.13237	6.2
163.11188	9.6
165.06969	7.5
165.09114	9.8
166.07768	3.2
167.08557	10.6
167.10674	22.9
168.09349	7.6
169.10110	32.5
170.10895	11.1
171.08220	2.7
171.11674	50.7
172.12369	3.3
173.09625	11.9
173.13251	27.7
174.14122	2.6
175.11174	21.8
175.14774	5.1
177.12688	4.0
179.08525	16.2
180.09283	11.1
181.10101	23.8
181.12222	6.2
182.10890	12.8
183.11694	30.3
184.12448	3.9
185.09624	9.1
185.13246	30.7
186.14073	3.6
187.11203	11.1
187.14853	11.6
189.12692	10.1
190.13460	6.1
191.14207	5.7
192.09317	5.1
193.10068	18.9
193.11766	2.8
194.10832	11.7
195.11670	34.9
196.12428	8.0
197.09566	4.9
197.13234	35.8
198.13943	4.5
199.11160	9.4
199.13213	2.3
199.14731	15.8
200.15500	2.6
201.12738	6.2
201.16423	2.4
203.14284	15.6
205.10059	3.6
206.10861	5.8
207.11644	21.3
207.13538	4.7
208.12413	10.8
209.13278	33.3
209.15227	3.2
210.13962	7.5
211.11176	7.7
211.14781	21.5
212.15128	2.5
213.12717	14.0
213.16367	7.0
215.14294	11.5
217.10118	4.4
217.15840	6.8
218.16692	5.6
219.11693	8.2
219.13747	3.8
220.12439	8.0
221.13232	19.9
221.15379	22.9
222.13919	7.1
223.11389	2.7
223.14752	21.5
224.15376	2.4
225.12689	8.1
225.16368	12.4
227.14281	9.7
229.15759	6.3
231.11656	6.1
231.17422	4.1
232.12373	4.0
233.13217	9.7
233.15372	25.4
234.13954	4.2
234.16122	10.1
235.14796	11.8
237.12762	5.5
237.16479	11.7
239.14278	6.3
239.17970	3.8
241.15839	3.9
244.12453	2.5
245.13165	5.9
245.15399	3.2
246.14003	4.0
246.16161	3.9
247.14726	10.7
247.16945	4.6
249.12703	3.6
249.16417	11.3
251.14304	4.9
251.17870	6.0
253.15817	7.1
255.17392	39.3
259.14655	4.6
259.17142	2.5
260.15616	4.2
261.16360	8.1
263.17950	9.8
264.18735	2.9
265.16077	4.0
265.19595	8.2
268.18146	4.7
269.18924	7.8
270.19785	11.6
271.14600	4.6
271.17279	3.3
273.18454	6.8
274.17099	2.7
275.17834	4.8
277.19467	5.3
279.17560	3.2
281.18997	6.2
283.20590	4.0
286.19254	3.5
287.20081	7.1
289.19427	5.8
291.17447	2.5
293.18997	2.9
294.19806	3.6
295.20605	6.0
296.21417	2.5
299.20343	10.6
303.21069	2.9
307.20401	5.3
313.21902	3.8
319.20490	3.6
333.22046	3.1
334.23007	4.0
337.25208	3.1
345.21982	3.2
347.23654	5.3
352.23575	3.4
360.24454	3.8
361.25311	2.9
365.24673	7.5
383.25665	13.8
582.40381	5.3
585.38519	2.7
600.41699	22.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.416
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.2
55.05503	7.8
57.07064	12.3
59.04995	4.1
65.98620	1.3
67.05495	12.4
69.03422	8.5
69.07051	5.9
70.75845	3.5
70.76217	3.0
73.28171	1.3
79.05482	11.6
81.03373	1.8
81.07037	23.4
83.04958	4.8
83.08597	4.0
85.06525	5.2
89.06009	7.0
91.05450	22.8
93.07027	34.9
94.07330	1.9
95.04946	9.9
95.08586	21.9
97.06508	7.1
99.08149	1.7
103.05465	1.8
105.07013	40.2
107.08565	22.8
109.06488	9.0
109.10126	10.8
111.08083	2.5
113.09556	2.1
115.05435	2.8
115.29270	1.4
117.06985	11.6
119.04868	2.8
119.08558	52.3
120.09382	2.7
121.06505	6.7
121.10123	20.1
122.07281	1.8
123.08044	17.8
123.11716	3.3
125.05971	8.5
128.06241	3.3
129.06979	9.6
131.08539	19.5
132.09346	2.8
133.06462	4.1
133.08565	4.3
133.10085	20.0
134.10838	1.8
135.08057	16.4
135.11647	8.0
137.05930	2.4
137.09589	11.4
141.06905	3.5
142.07771	9.9
143.08533	19.9
144.09317	8.5
145.06445	2.0
145.10095	39.6
147.08017	25.4
147.11635	7.7
149.09596	11.2
149.13239	1.8
151.07538	10.5
151.11220	2.3
153.06999	1.7
155.08524	7.6
155.10602	2.4
156.09271	8.0
157.10098	34.0
158.10861	6.2
159.08017	7.3
159.11664	22.6
160.08792	9.1
161.09557	9.5
161.13158	7.4
163.11160	18.1
164.11710	1.9
165.09073	42.5
166.07704	1.5
167.08510	3.1
168.09317	3.0
169.10097	13.1
170.10847	4.3
171.08095	2.2
171.11650	19.4
172.12416	4.5
173.09581	9.5
173.13231	8.7
174.10355	1.6
175.11160	19.8
175.14821	1.6
176.11899	2.3
177.09074	2.8
177.11212	1.8
177.12683	2.4
179.08501	4.8
179.10582	2.0
180.11455	1.9
181.10118	8.6
181.12207	22.1
182.10855	4.4
183.11667	17.1
184.12411	4.4
185.09583	4.7
185.13232	10.4
187.11169	6.7
187.14769	3.8
188.11818	1.6
189.12706	6.7
190.13550	9.7
190.82758	1.7
191.10631	5.4
191.14308	3.6
193.10291	3.3
193.12187	11.6
194.10881	2.8
195.11681	12.7
196.12462	3.9
197.09505	3.3
197.13222	14.8
198.13928	2.4
199.11185	4.6
199.14801	2.8
201.12738	6.6
201.16403	1.9
203.14243	19.5
205.12193	1.9
207.11682	4.5
207.13806	9.2
208.12601	3.2
208.14549	11.8
209.13271	8.9
209.15060	2.0
210.14050	2.8
211.11217	4.1
211.14720	8.8
212.15518	3.4
213.12582	7.4
215.10941	1.8
215.14272	3.5
216.15018	2.2
219.13695	8.6
220.14511	1.8
221.13373	5.1
221.15312	100.0
222.13800	2.7
222.15698	6.4
223.11099	2.0
223.14787	6.0
225.12717	4.6
225.16241	3.0
227.14328	4.2
229.12186	1.9
229.15903	2.5
231.13896	2.3
233.13211	2.7
233.15352	5.6
234.16072	25.6
235.14713	3.0
237.12772	3.8
237.16318	1.9
239.14253	2.3
241.15874	3.7
243.13887	2.2
245.15385	3.1
247.14513	4.0
247.16893	33.1
248.17580	3.0
249.16270	3.6
251.14246	2.0
251.17859	1.9
253.15889	3.2
255.17332	1.9
259.16922	5.3
260.17697	2.4
261.16171	2.2
269.15475	2.3
269.18668	2.4
271.16913	3.9
273.18469	3.2
274.19229	14.2
279.17346	3.7
279.20813	1.6
281.18951	4.8
285.18533	4.0
286.19159	6.8
287.20117	11.7
297.18494	4.0
298.19205	2.0
299.20023	21.9
300.20926	2.9
307.20428	2.5
310.19293	2.4
311.20007	6.6
312.20761	11.2
313.21515	9.6
319.20581	1.7
325.21548	17.6
326.22159	2.5
333.22809	2.1
337.21579	3.6
339.23190	8.5
340.23901	16.6
351.23206	2.4
352.19846	3.0
352.23914	38.3
353.24863	1.9
365.24789	8.0
366.25439	3.9
377.24631	3.5
379.26166	6.9
387.25232	5.1
391.26175	4.5
392.26874	4.3
400.26038	3.3
405.27390	2.4
413.26590	5.4
415.25247	4.1
419.29379	10.6
420.30209	4.4
425.26547	9.6
426.27463	5.5
427.28369	15.7
440.29150	54.2
442.30841	2.4
454.30606	3.3
493.33359	1.8
507.34552	3.6
508.35208	6.2
514.49359	2.8
520.35370	57.2
521.35864	2.4
582.41321	2.9
585.39148	4.4
598.28662	1.7
600.41644	45.0
600.52728	7.9
601.41669	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.4161
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95423	1.3
51.02374	2.3
51.31247	1.1
51.57317	1.2
53.03937	4.8
55.01863	3.3
55.05500	19.1
57.07066	12.3
59.04972	4.0
63.54552	1.3
65.03918	3.1
67.05493	30.6
67.70565	1.4
68.00821	1.2
69.03413	15.2
69.07055	20.2
69.34869	15.7
71.04983	9.8
71.08614	4.9
77.03886	2.0
79.05478	33.6
80.06290	1.9
81.07041	44.4
83.04966	20.2
83.08600	15.0
85.02908	1.7
85.06533	9.9
85.10188	1.8
87.04467	7.1
89.06023	24.9
91.05466	56.1
93.07028	66.4
95.04953	30.0
95.08588	36.1
97.06512	16.5
97.10140	1.8
99.08070	2.3
103.05455	4.8
105.04535	2.1
105.07012	100.0
106.07796	2.4
107.04930	4.5
107.08576	68.3
108.05696	2.4
109.06485	20.4
109.10136	37.5
111.08076	7.1
111.11740	1.4
113.06001	1.8
113.09627	7.0
115.05424	6.9
116.06197	4.4
116.07039	1.8
117.06998	26.2
118.07799	1.7
119.08561	86.5
121.06486	13.3
121.10122	61.4
123.08048	33.7
123.11696	7.7
125.05994	2.6
125.09620	16.0
128.06186	17.0
129.06976	27.9
129.09042	1.7
130.07761	10.3
131.08549	55.7
132.09302	4.4
133.06516	6.9
133.07704	2.5
133.08614	16.2
133.10104	51.4
134.10898	1.6
135.08031	20.1
135.11665	14.2
136.08821	2.1
137.09587	13.9
139.11180	6.8
141.06944	11.9
142.07758	33.5
143.08537	60.1
144.09329	14.5
145.06435	7.4
145.10097	78.7
146.07288	2.5
146.10847	3.0
147.08023	17.6
147.11653	24.6
149.09602	17.9
149.13243	5.0
151.07510	7.0
151.11121	3.0
153.06973	6.0
153.09050	2.4
154.07729	3.8
155.08527	27.4
155.10594	14.7
156.09320	26.4
157.10101	76.2
158.07205	1.9
158.10864	11.2
159.08052	23.8
159.11662	49.6
159.12991	2.5
160.08810	7.1
161.09602	21.4
161.13193	9.5
163.07481	1.6
163.11153	10.4
165.06985	9.7
165.09064	8.7
165.12759	2.1
166.07727	5.2
167.08521	13.9
167.10645	21.4
168.09285	8.6
169.10101	35.8
169.11522	2.1
170.10878	12.9
171.08026	4.7
171.11664	49.7
172.08818	1.8
172.12444	5.0
173.09561	14.8
173.13235	20.8
174.10388	4.0
175.11140	21.8
175.14761	9.2
177.09027	1.8
177.11205	8.4
177.12735	4.9
178.07730	2.4
179.08521	14.2
179.10742	2.8
180.09309	8.2
181.10091	22.9
181.12199	7.5
182.10866	15.0
182.12350	1.9
183.08043	2.2
183.11658	37.8
184.12367	8.1
185.09587	5.7
185.13220	30.7
186.10381	2.5
186.14000	5.4
187.11147	9.0
187.14804	14.0
188.11906	2.1
189.12740	9.7
189.16330	2.6
190.13472	6.3
191.08496	2.3
191.10655	1.8
191.14272	7.1
192.09245	4.6
193.10095	18.0
193.12036	2.7
194.10870	10.1
195.11661	35.0
195.13406	1.4
196.12408	10.9
197.09695	6.8
197.13248	34.0
198.10345	2.4
198.13927	2.9
199.11151	10.5
199.14778	16.7
200.11867	3.1
200.15399	2.0
201.12704	9.5
201.16336	4.1
202.13435	1.7
203.08263	1.9
203.14272	15.0
205.10114	3.4
205.12222	1.4
206.10851	8.4
207.11667	22.0
207.13715	5.8
208.12401	9.8
208.14146	1.6
209.09480	1.9
209.13240	27.2
209.15154	2.5
210.13904	5.2
211.11279	8.4
211.14772	20.9
212.11894	3.3
212.15549	2.8
213.12685	11.5
213.16359	8.1
214.13441	1.6
215.14215	10.1
216.15047	2.2
217.10118	2.0
217.15892	5.7
218.10913	3.1
218.16649	5.7
219.11710	7.7
219.13643	2.4
220.12437	6.2
221.13220	17.5
221.15358	27.8
222.13969	5.2
223.11189	4.0
223.14763	22.1
224.15491	2.6
225.12822	8.6
225.16313	10.0
226.13411	2.5
227.14288	8.3
227.17830	1.8
228.14842	1.7
229.12192	2.7
229.15857	4.0
230.10873	1.9
231.11620	5.4
231.13698	2.5
231.17375	2.7
232.12454	5.2
232.14563	2.1
233.13190	11.7
233.15361	31.7
234.13921	4.4
234.16089	9.0
235.14798	13.7
236.15517	3.2
237.12668	3.4
237.16479	12.4
238.16878	2.0
239.14270	6.3
239.17842	4.8
240.14981	2.2
241.15802	5.9
242.16507	1.6
243.13757	2.0
243.17418	2.9
244.12482	2.5
245.13225	4.2
245.15450	2.4
246.13965	4.2
246.16153	3.7
247.14751	7.5
247.17004	3.3
248.15482	4.8
249.12932	2.1
249.16347	12.5
251.14211	3.2
251.17900	7.2
252.18556	2.2
253.15852	7.5
253.19563	4.6
255.17384	38.1
257.13214	3.4
257.19095	4.1
258.14090	3.2
259.14502	6.5
259.17068	3.0
260.15662	3.7
261.12732	1.9
261.16342	11.2
263.14084	1.8
263.17938	6.5
264.18695	2.7
265.16132	3.2
265.19498	6.1
267.17429	6.2
268.18176	4.5
269.18988	9.3
270.19687	9.4
271.14627	2.2
271.20526	2.2
273.15973	2.7
273.18768	6.5
274.16730	2.7
274.19406	1.9
275.17871	4.1
276.18616	1.7
277.15927	2.4
277.19360	2.6
279.17334	6.1
281.18942	7.7
282.19620	2.7
283.17422	3.0
283.20511	6.1
285.18436	4.8
286.19260	2.6
287.20029	5.2
289.16214	1.6
289.19577	4.5
291.17377	3.4
291.20938	2.6
295.20486	5.9
296.21371	2.2
297.18591	4.8
297.21939	1.8
298.19376	2.0
299.20352	7.6
301.19250	3.0
307.20419	3.3
311.19913	2.5
313.21527	3.9
315.21109	1.8
319.20593	1.7
325.21799	2.2
327.20642	2.4
329.22507	3.5
331.20609	1.9
333.21970	2.6
345.22137	2.8
347.23703	6.7
348.24377	2.1
349.25226	1.9
351.23029	2.5
352.23883	1.9
360.24509	2.3
365.24741	7.7
371.23129	1.8
373.25677	2.1
377.24759	1.7
383.25684	10.5
415.25217	7.2
445.30591	2.1
457.31100	1.7
567.38519	3.7
582.40265	6.2
583.44128	1.7
585.39655	1.9
600.41406	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	600.4159
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	4.5
55.01844	2.8
55.05508	16.5
57.07048	9.9
59.04979	5.4
63.91142	2.4
65.03917	5.6
67.05498	31.3
69.03426	13.3
69.07053	19.7
71.02800	2.0
71.04974	8.4
71.27197	2.3
77.03912	3.0
79.05479	36.8
80.06266	3.5
81.06568	4.1
81.07040	48.6
83.04971	18.2
83.08605	15.2
85.06530	11.6
87.04430	4.9
89.05936	2.3
91.05466	57.9
93.06458	4.1
93.07031	76.8
94.07796	2.7
95.04408	3.7
95.04961	31.5
95.08595	39.0
97.06509	18.2
101.89474	2.1
103.05447	4.0
105.07015	100.0
106.07786	3.7
107.04924	4.3
107.07859	3.8
107.08579	74.0
109.06490	20.4
109.10134	32.9
111.08061	7.8
113.05977	2.9
113.09609	7.5
115.05447	8.1
116.06178	4.1
117.06992	24.2
118.07744	2.2
119.04960	2.9
119.08566	94.4
120.09369	2.7
121.06493	14.6
121.10129	63.6
123.08054	35.8
123.11687	5.0
125.05956	3.3
125.09604	13.5
128.06197	18.4
129.06996	24.5
130.07823	10.5
131.08545	52.6
131.77386	2.3
132.09320	6.3
133.06464	9.7
133.10107	53.9
135.08034	23.1
135.11661	18.6
137.09589	14.5
139.07437	3.4
139.11200	3.9
141.06950	14.2
142.07750	37.9
143.08531	67.3
144.09323	17.5
145.06442	7.2
145.10104	87.7
146.07234	2.6
146.10844	4.6
147.08031	23.2
147.11659	22.3
149.09605	18.1
151.07501	10.4
151.11098	2.1
153.06927	6.8
153.09065	2.3
154.07710	6.2
155.08539	25.1
155.10628	13.1
156.09312	26.0
157.10104	93.1
158.10854	15.9
159.08049	23.2
159.10411	4.0
159.11667	55.5
160.08835	5.5
160.12404	4.1
161.09615	17.8
161.13248	9.0
163.11134	13.5
165.06987	9.8
165.09105	16.4
165.12741	3.5
166.07747	7.8
167.08571	16.7
167.10645	20.5
168.09319	8.3
169.10106	33.6
170.10901	18.3
171.07988	3.0
171.11662	56.8
172.08861	3.1
172.12376	5.6
173.09625	14.7
173.13237	25.8
174.10304	2.8
175.11166	24.2
175.14795	7.9
177.09143	2.8
177.12723	4.9
179.08505	15.3
179.10733	2.6
180.09290	9.2
181.10085	24.2
181.12167	8.4
182.10889	11.8
183.11670	39.4
184.12407	6.3
185.09564	6.8
185.13239	31.1
186.13943	5.3
187.11232	13.5
187.14807	11.7
188.15636	2.3
189.12703	9.8
190.13499	8.0
191.08540	2.9
191.10551	2.4
191.14272	9.1
192.09290	6.9
193.10094	21.8
193.12183	5.2
194.10881	14.6
195.11664	37.4
195.13464	4.4
196.12459	12.6
197.09573	5.3
197.13234	35.5
198.13908	2.5
199.11168	8.7
199.14731	16.3
201.12704	9.4
201.16402	4.6
203.14211	15.3
204.09393	3.1
205.10077	6.5
205.12070	2.4
206.10881	8.8
207.11664	19.8
207.13777	9.8
208.12419	10.7
208.14362	3.6
209.09659	2.5
209.13216	29.2
209.15097	4.7
210.13911	5.2
211.11211	5.5
211.14783	25.3
212.11951	3.5
213.12758	16.6
213.16304	8.9
214.13609	3.2
215.14340	11.9
216.14941	3.1
217.10045	4.5
217.15842	2.6
218.10857	2.9
218.16728	6.3
219.11661	9.9
219.13684	2.5
220.12410	8.6
221.13200	17.6
221.15340	47.3
222.13893	6.4
223.11165	4.2
223.14755	23.2
224.15437	3.7
225.12718	8.3
225.16237	10.5
227.14262	8.1
229.10258	3.0
229.15823	7.0
231.11659	3.7
232.12329	3.4
233.13161	8.1
233.15344	26.3
234.14018	5.2
234.16066	11.0
235.14792	15.0
236.15500	3.7
237.12587	5.7
237.14462	4.4
237.16687	14.3
239.14236	4.6
239.17921	6.0
241.15842	6.5
243.17368	3.5
245.13150	6.4
245.15384	4.2
246.13928	5.4
246.16238	3.5
247.14771	9.2
247.16739	4.1
248.15668	3.1
249.16292	11.9
250.17227	3.3
251.14200	3.6
251.17961	6.7
253.15764	6.7
255.17390	46.5
257.13077	2.9
257.19000	3.9
259.14716	5.5
261.16345	8.3
263.14066	2.2
263.18011	8.0
265.15775	3.9
265.19476	4.5
267.17416	5.3
269.19006	8.3
270.19766	7.9
271.16980	4.4
271.20535	3.1
273.16022	5.0
273.18469	8.5
275.17743	3.8
277.15823	4.6
277.19363	3.4
279.17432	5.5
279.20990	2.5
281.18985	7.7
282.19922	4.5
283.20499	3.8
285.18414	9.8
286.19119	8.4
287.20163	4.1
289.19421	5.1
293.19077	3.4
294.19641	3.3
295.20456	5.2
297.18448	4.9
298.19308	4.0
299.20001	8.8
300.20377	2.5
303.19263	10.6
307.20547	4.7
311.19965	3.2
313.21661	8.5
319.20663	3.3
321.22156	3.1
325.21594	8.2
333.21829	4.4
334.22803	3.6
335.23709	3.0
339.21103	3.3
345.22156	4.6
347.23584	6.5
352.23938	23.9
360.24191	3.8
365.24606	13.2
383.25641	15.1
453.31143	2.6
502.34305	3.3
507.34482	3.0
520.35132	15.2
521.35242	2.8
567.37811	3.0
582.40430	4.6
585.39349	2.6
600.41516	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	600.4157
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02806	2.0
53.03935	7.4
55.05501	17.9
57.03410	2.1
57.07074	10.9
59.04983	3.1
65.03915	6.2
67.05499	28.8
69.03421	16.7
69.07051	17.2
69.30752	24.8
70.06559	4.6
70.73562	1.9
71.04965	4.0
72.74310	2.4
77.03900	2.4
79.05478	36.5
81.07040	35.4
83.04976	18.8
83.08601	10.1
84.05334	1.9
84.69844	2.0
85.06520	7.2
87.04402	2.5
89.06006	2.5
91.05462	52.2
93.07032	70.2
94.07355	2.4
95.04971	21.0
95.08580	41.0
97.06496	15.1
97.10151	2.4
98.21479	4.7
103.05469	3.6
104.91949	2.2
105.07014	100.0
107.04935	4.6
107.08580	56.6
109.06517	21.0
109.10153	22.1
111.08067	8.2
115.05447	7.1
116.06274	2.4
116.07082	6.6
117.06979	20.8
119.08559	85.8
119.38055	2.2
121.06480	22.1
121.09294	4.4
121.10128	61.6
123.08036	31.9
123.11701	4.3
125.05972	3.4
125.09612	10.5
128.06184	15.4
129.06985	22.9
130.07755	8.1
131.08549	48.0
132.09328	2.8
133.06480	9.3
133.10120	44.1
135.08038	25.7
135.11673	17.5
137.05962	2.8
137.09599	18.5
139.07506	3.7
139.11113	2.5
141.06952	11.7
142.07773	31.0
143.08539	53.0
144.09334	11.8
145.06468	6.8
145.10098	74.8
147.08028	32.7
147.11653	22.2
149.09590	24.7
149.13220	3.4
151.07494	18.0
151.11151	2.8
151.60893	2.5
153.06990	5.9
154.07718	4.5
155.08549	20.9
155.10635	6.5
156.09325	24.0
157.10103	87.8
158.10895	13.3
159.08049	20.3
159.11684	37.5
160.08759	6.1
160.12083	2.3
161.09595	22.4
161.13257	7.9
163.11154	17.0
165.06953	6.8
165.09099	43.3
166.07747	2.3
167.08542	11.8
167.10663	14.4
168.09315	7.8
169.10089	32.4
170.10855	14.0
171.08008	3.5
171.11665	44.7
172.08813	4.2
172.12376	9.8
173.09634	15.2
173.13231	18.3
175.11157	23.6
175.14796	6.8
177.09079	4.1
177.12721	2.4
179.08534	9.7
179.10619	6.4
180.09288	7.8
180.11287	3.0
181.08582	4.0
181.10071	21.9
181.12088	14.4
182.10806	12.2
183.11696	30.8
183.86040	2.8
184.12367	8.2
185.09590	9.0
185.13194	23.6
186.10294	3.7
186.13962	2.9
187.11128	11.9
187.14801	5.0
189.12744	13.6
190.13435	10.5
191.10661	4.5
191.14284	7.0
192.09309	5.5
193.10094	16.1
193.12180	12.4
194.10866	9.4
195.11682	28.9
196.12476	10.5
197.09692	2.5
197.11641	4.1
197.13252	25.6
198.10371	2.5
198.13832	3.3
199.11160	9.7
199.14700	11.9
200.15483	2.9
201.12718	8.1
203.14308	24.8
204.09393	2.4
205.10179	4.4
206.10970	5.6
207.11668	18.5
207.13763	11.4
208.12383	10.4
208.14546	13.0
209.13226	21.6
209.15323	6.4
210.13974	6.1
211.11160	5.4
211.14711	17.7
212.15370	3.7
213.12685	13.3
213.16454	4.0
214.13515	2.6
215.10635	3.0
215.14288	8.3
216.14899	3.3
217.10057	5.3
217.12254	3.4
217.15880	4.6
218.10825	2.9
218.16570	4.5
219.11725	5.4
219.13779	9.0
220.12390	4.6
221.13205	18.8
221.15282	91.9
222.13838	5.2
222.15782	3.7
223.14804	15.7
224.15518	2.7
225.12724	10.6
225.16240	10.8
227.14256	6.9
229.12204	2.7
229.15900	6.8
231.11708	5.2
231.13838	3.2
232.12453	2.9
233.13211	9.4
233.15373	28.2
234.14005	2.7
234.16058	17.1
235.14784	12.4
235.16893	4.7
237.12636	5.2
237.14546	29.4
239.14278	6.2
239.17886	2.9
241.15826	5.5
244.12605	2.9
245.13210	5.3
246.14066	5.2
246.16214	4.6
247.14775	6.2
247.16948	12.1
248.13885	13.4
249.16432	10.5
251.18060	3.2
253.15787	5.4
255.17410	29.8
257.19028	3.1
259.14658	5.1
259.17142	3.0
261.16327	7.1
263.17880	6.6
265.15857	4.9
265.19376	3.9
267.17401	5.6
268.18146	5.8
269.18985	6.7
270.19766	10.1
271.14642	3.2
271.17197	4.5
273.18570	4.7
274.19266	7.6
277.15637	2.5
277.19635	3.7
279.17380	5.6
281.18967	7.5
282.19907	2.9
283.20502	4.0
285.18488	9.5
286.19196	19.5
287.20117	11.9
289.19299	3.5
291.17401	2.8
293.19006	3.3
294.19672	9.5
295.20419	6.0
297.18701	4.1
299.20090	16.3
303.19522	51.2
306.42319	2.3
311.20050	3.1
312.20740	6.8
313.21545	14.3
319.20688	4.6
322.23004	3.4
325.21600	14.9
334.22913	2.9
337.21878	10.6
345.22015	3.5
352.23904	97.6
353.24225	2.8
360.24356	2.9
363.22952	2.5
365.24680	23.1
375.21799	5.1
377.24588	8.1
383.25723	8.9
454.30835	3.9
487.32266	3.4
492.35730	3.3
502.34061	12.8
503.34933	7.8
503.88208	2.5
505.32919	6.2
507.34747	16.4
508.34985	12.2
520.35413	62.0
549.37421	3.6
582.40491	8.5
585.39056	4.6
600.41473	51.4
601.41565	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	600.4144
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.2
55.01857	2.4
55.05498	9.6
57.03412	2.0
57.07064	12.7
59.04976	3.5
65.03918	1.6
67.05488	15.7
68.05843	1.5
69.03413	9.8
69.07047	11.0
71.08143	2.5
79.05475	18.3
81.07034	25.2
83.04951	6.1
83.08601	4.4
85.06508	5.2
89.06023	2.9
91.05460	33.4
92.06246	2.0
93.06458	2.3
93.07018	37.8
94.07300	1.4
94.07834	1.9
95.04942	10.3
95.08582	22.7
95.85687	1.0
96.08885	1.4
97.06509	8.4
103.05418	1.9
105.07008	49.1
107.04956	3.1
107.08568	24.3
109.06485	13.7
109.10113	7.7
110.10488	1.1
111.08049	2.2
115.05416	2.0
116.48236	1.0
117.06987	13.2
119.04903	1.1
119.08549	55.4
120.09321	4.8
121.06465	7.3
121.10113	22.6
122.07304	2.1
122.39297	1.1
123.08040	17.0
123.11698	2.3
125.05958	11.4
125.09615	1.5
128.06203	4.7
129.06984	9.8
130.07747	4.1
131.08533	25.5
132.09341	2.1
133.06464	4.7
133.10092	25.0
134.10823	3.4
135.08022	20.1
135.11667	9.7
136.11949	1.2
137.05927	1.6
137.09583	15.4
139.07561	2.1
139.10991	1.3
141.06982	4.1
142.07751	9.2
143.08528	23.4
143.09593	0.9
144.09299	7.7
145.06421	3.0
145.10091	37.4
146.10558	2.1
147.08006	28.4
147.11665	8.8
148.08644	2.3
149.09579	13.5
149.13235	1.5
151.07516	13.0
151.11125	2.8
152.07950	1.1
153.06943	2.2
153.09079	1.7
155.08519	9.6
156.09302	7.9
157.06535	2.0
157.10092	36.7
158.07135	1.6
158.10826	4.8
159.08020	9.1
159.11656	23.8
160.08794	3.2
160.12221	2.8
161.09575	10.2
161.13196	6.9
162.10226	1.3
162.13635	1.5
163.11142	22.9
164.11903	1.6
165.06976	2.1
165.09070	50.2
165.10461	2.5
166.09377	2.3
167.08548	4.8
168.09265	3.4
169.10103	14.6
170.10861	6.9
171.07977	2.4
171.11638	18.5
172.08646	1.5
172.12337	2.5
173.09549	8.8
173.13216	10.7
174.10330	2.1
175.11133	21.1
175.14909	2.3
177.09048	3.3
177.12735	2.5
178.09798	3.3
179.08519	3.0
179.10616	2.1
180.09283	3.1
180.11423	3.9
181.10101	5.7
181.12190	23.8
182.10800	5.8
183.11636	15.9
184.12291	3.5
185.09602	4.6
185.13223	10.1
186.10339	2.3
186.13782	1.5
187.11195	5.9
187.14778	3.2
188.11909	2.2
189.09087	1.5
189.12724	9.7
190.13469	8.7
191.10611	5.2
191.14261	3.3
192.09279	1.6
193.10124	5.7
193.12202	12.9
194.10895	3.4
195.11644	10.7
195.13699	2.7
196.12451	3.5
197.09579	3.6
197.13245	11.6
198.10350	1.5
199.11082	6.9
199.14760	3.7
201.12732	8.9
203.10648	1.4
203.14265	20.5
204.14658	1.3
205.12215	1.3
206.10927	1.7
206.13054	1.7
207.11635	4.9
207.13768	13.3
208.12430	3.3
208.14508	10.6
209.13232	8.9
209.14943	1.8
210.13905	2.7
211.11130	4.4
211.14746	8.7
212.11815	1.5
212.15523	4.2
213.12668	6.8
213.16341	1.4
214.13345	2.2
215.10538	1.6
215.14304	3.6
216.14934	1.3
217.12198	1.9
218.13031	1.6
219.11763	2.6
219.13652	8.7
220.12347	1.9
220.14426	2.1
221.13342	5.5
221.15305	100.0
222.13864	1.9
222.15691	8.0
223.11156	1.9
223.14804	6.0
225.12692	4.7
225.16357	2.3
227.14233	3.5
229.12178	2.9
229.15865	3.8
231.13776	3.2
233.13290	1.9
233.15372	5.2
234.13818	2.3
234.16072	22.7
235.11076	1.6
235.14780	2.8
235.16878	1.9
237.12720	3.2
237.16345	3.1
239.14287	2.8
239.17928	3.1
240.14952	1.5
240.18538	1.6
241.15746	3.6
243.13799	1.5
245.15280	1.9
247.14519	2.9
247.16902	30.0
248.17476	4.0
249.12720	1.6
249.16272	2.3
251.14258	3.3
253.15855	4.0
255.17285	2.3
257.15311	3.0
259.16882	4.5
260.17636	1.5
261.18530	3.5
263.17938	1.7
265.15869	2.1
267.17258	1.5
269.15311	2.7
269.18860	1.7
271.16901	4.2
273.18491	3.0
274.19199	15.7
275.20084	2.8
276.20273	1.5
279.17377	3.3
279.20840	1.4
281.18930	2.6
283.16742	1.6
285.18591	1.3
286.19177	4.9
287.20029	12.9
295.20386	1.5
297.18433	4.2
298.19226	1.9
299.19986	21.8
300.20627	4.2
303.17981	1.6
307.20267	2.1
309.18588	1.8
310.19073	1.9
311.19876	6.6
312.20731	11.6
313.21597	10.4
315.15179	1.3
325.21509	19.2
326.22101	2.1
327.23135	2.7
335.25867	2.1
336.26050	2.6
337.21429	4.8
339.23132	7.3
340.23907	16.5
340.73383	1.2
347.23627	1.3
351.23294	1.7
352.23862	34.3
353.24600	2.8
365.24530	5.4
366.25342	3.5
377.24582	1.7
379.26193	4.6
387.25327	4.9
391.26230	3.8
392.26883	3.8
400.25769	3.0
402.27765	1.5
411.25293	1.4
413.26727	6.8
415.24982	2.0
419.29355	9.5
420.29980	6.2
425.26727	10.6
426.27502	4.8
426.32742	1.2
427.28311	19.6
440.29144	61.0
441.29507	2.3
442.30408	2.8
444.30652	1.3
454.30719	3.5
507.34564	3.2
508.35126	5.2
514.49561	2.5
520.35388	53.7
521.35858	4.0
582.41895	5.8
585.39093	5.2
590.26489	1.6
600.41388	38.5
600.52783	9.5
601.42542	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	600.416
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	4.5
55.05505	22.5
57.07055	17.4
59.04980	6.3
67.05495	29.7
67.59521	3.1
69.03413	13.6
69.07053	17.8
71.04956	8.0
71.34961	6.0
77.10302	3.1
79.05484	30.4
81.07051	40.1
83.04962	13.5
83.08582	19.2
85.06518	8.3
85.10146	4.9
89.06020	23.5
91.04949	4.9
91.05464	45.0
93.07032	55.3
95.04977	20.4
95.08596	42.3
96.08904	6.3
97.06531	25.1
105.07012	63.4
107.04939	7.0
107.08583	50.7
109.06492	15.1
109.10143	24.6
111.08060	10.7
113.09616	11.0
115.05404	5.1
117.06998	19.8
119.08564	64.9
121.06480	14.2
121.10120	35.3
123.08056	35.5
125.05997	7.5
125.09589	10.7
128.06140	5.2
129.06978	18.1
130.07758	4.8
131.08562	37.0
133.06445	5.4
133.08607	11.0
133.10088	36.5
135.08040	17.8
135.11674	10.0
137.09554	15.5
139.11160	14.4
141.06996	6.7
142.07751	20.1
143.08525	35.7
144.09303	16.6
145.06468	24.9
145.10097	63.1
147.08044	34.3
147.11667	16.0
148.08365	4.4
149.09560	11.1
151.07536	12.2
155.08505	14.4
155.10619	10.6
156.09315	12.1
157.10117	54.6
158.10815	8.7
159.08052	16.9
159.11668	42.7
160.08815	85.8
160.12207	4.0
161.09579	9.4
161.13202	9.3
163.11174	18.5
165.06895	4.3
165.09081	44.5
165.12779	4.0
166.09370	4.6
167.08521	11.7
169.10118	24.5
170.10846	12.1
171.08128	7.0
171.11679	33.2
172.12393	6.9
173.09587	11.9
173.13232	10.8
175.11131	19.1
177.11221	4.4
177.12737	4.2
179.08633	5.6
179.14267	6.3
180.09175	4.1
181.10089	14.4
181.12256	23.0
182.10869	11.6
182.93489	3.7
183.11667	26.8
184.12433	7.4
185.09540	6.1
185.13179	14.3
186.14037	4.6
187.11147	7.0
189.12698	11.0
190.13492	7.3
191.14235	4.7
193.10098	11.2
193.12231	11.9
194.10806	7.3
195.11694	20.9
195.13786	8.4
196.12424	5.6
197.09639	4.7
197.13193	17.3
198.13971	4.7
199.11130	10.4
199.14743	10.7
200.15616	4.8
201.12769	7.7
203.14276	17.5
207.11630	12.1
207.13718	9.6
208.12512	6.6
208.14542	10.4
209.13239	17.8
210.13814	4.4
211.11116	5.0
211.14783	15.7
213.12714	5.0
213.16325	3.9
219.13718	8.2
220.12274	5.3
221.13301	9.3
221.15308	100.0
222.15701	16.9
223.14705	12.6
225.12767	5.3
225.16394	4.1
227.14159	6.3
231.11540	4.0
233.15334	7.1
234.16069	21.1
235.14713	8.0
237.12761	5.4
237.16389	8.2
239.14240	5.8
246.16135	6.7
247.16907	13.8
248.17320	6.5
249.16269	6.3
251.14215	4.3
261.16266	6.9
263.18069	5.0
267.17282	4.7
269.18933	3.9
271.16888	8.8
273.18396	6.2
274.19342	7.5
283.26263	8.9
285.18555	6.2
286.19189	31.9
287.19983	11.8
297.18469	8.3
299.19983	29.8
300.20660	13.6
311.20047	9.3
312.20779	15.7
312.26920	3.5
313.21671	4.6
325.21579	18.4
327.57990	4.3
337.21310	6.2
338.22400	4.0
340.23508	5.4
352.23941	43.7
365.24677	13.9
379.26022	4.8
415.25250	5.0
419.29269	5.0
420.29825	5.1
426.27383	6.5
427.28665	4.9
440.29153	47.3
454.30771	5.1
507.34863	6.7
508.35031	7.3
520.35284	53.8
582.39825	5.8
585.39453	6.5
600.41443	42.7
600.55743	28.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.415
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	1.7
53.03930	5.1
55.01866	2.6
55.05495	23.9
57.07058	29.2
59.04970	5.2
65.03912	3.5
67.05164	2.5
67.05491	32.9
69.03405	6.9
69.07053	27.8
69.94261	11.6
70.06556	2.1
71.04966	2.3
71.08615	13.1
73.06538	3.5
77.03890	3.1
79.05480	30.0
80.05837	2.3
81.03399	2.4
81.07039	46.5
83.04964	14.6
83.08600	20.6
85.06513	4.7
85.10169	12.6
87.04442	4.4
89.06009	35.2
91.05460	45.4
93.07022	80.4
94.07340	2.3
95.04953	14.9
95.08585	47.8
97.06496	12.5
97.10163	4.8
98.21437	3.9
103.05418	4.3
105.04475	3.6
105.07008	78.2
106.07306	3.0
106.87675	1.8
107.04929	5.5
107.08572	70.0
108.08878	2.3
109.06486	12.4
109.10128	29.3
111.08044	6.6
111.11715	2.6
113.09608	4.9
115.05424	6.4
116.06310	2.1
116.07054	4.7
117.06994	22.0
119.04887	3.0
119.08557	100.0
121.06476	7.6
121.10116	73.1
121.11013	2.7
122.10452	3.1
123.08057	13.4
123.11693	10.8
123.62164	2.1
125.05973	3.5
125.09612	10.7
128.06241	11.3
129.06978	16.9
130.07790	9.6
131.08539	44.7
133.06438	6.0
133.08594	19.9
133.10095	66.4
135.08025	13.3
135.11649	23.6
137.09578	12.9
139.07489	2.2
139.11147	7.5
141.06924	5.5
142.07773	17.0
143.08534	36.5
144.09256	8.7
145.06462	6.1
145.10092	71.6
146.10400	3.5
147.08026	9.0
147.11644	18.0
149.09592	23.5
149.13226	4.8
151.07507	3.5
151.11160	5.9
153.09201	2.5
154.07657	2.5
155.08548	15.9
155.10632	4.5
156.09317	17.6
157.10104	53.1
158.07317	2.6
158.10800	7.4
159.08060	9.4
159.11667	45.4
160.08563	2.4
161.09584	13.1
161.13211	8.0
163.07454	3.2
163.11148	8.5
165.06998	4.6
165.09079	5.8
166.07777	3.4
167.08492	8.5
167.10651	59.5
167.12064	3.9
168.09409	4.1
168.10915	5.9
169.10075	26.0
170.10892	8.5
171.11649	28.0
172.12238	3.6
173.09570	3.5
173.13222	28.5
175.11131	6.2
175.14793	27.4
177.11150	11.0
177.12601	5.0
179.08517	8.8
179.14182	2.1
180.09270	4.4
181.10054	14.7
181.12201	8.3
182.10818	8.2
183.11655	27.7
184.12297	5.6
185.09537	3.8
185.13188	16.0
187.11186	3.8
187.14786	18.8
189.12720	6.4
191.08490	3.1
191.14307	6.0
192.09413	4.0
193.10124	9.3
193.15771	2.8
194.10796	8.7
195.11647	21.7
195.13493	3.5
196.12299	7.4
197.13237	22.6
198.13785	4.8
199.11092	4.7
199.14816	7.7
201.12729	3.9
201.16295	9.1
203.14287	6.4
205.10086	3.2
205.15689	3.5
206.10878	5.4
207.11632	13.1
207.13615	3.8
208.12418	7.4
209.13235	24.6
210.13791	4.2
211.11121	5.6
211.14771	14.9
213.12733	5.7
213.16304	4.8
215.14290	3.4
217.15898	3.3
218.10803	2.2
219.11719	4.7
219.13745	4.9
219.17406	4.2
220.12311	2.9
221.13257	8.9
221.15288	9.0
222.13879	3.6
222.15691	4.1
223.14772	18.7
224.15320	2.4
225.12724	4.4
225.16347	6.8
227.14220	6.1
227.17947	2.9
229.15993	2.3
231.11678	2.4
233.13104	5.7
233.15343	10.4
234.13885	3.4
234.16022	11.6
235.14754	9.9
236.15312	3.2
237.16342	6.1
239.14381	3.1
239.17897	5.3
245.13196	4.2
246.13657	2.6
246.16045	2.6
247.14729	6.9
247.16980	2.5
247.97102	2.0
249.16370	6.9
251.17903	4.1
253.15833	3.5
253.19441	2.5
255.17432	5.9
255.34344	2.4
257.24884	2.7
259.14664	6.8
259.20511	2.6
261.16333	5.9
263.17859	7.6
265.15952	2.7
265.19507	5.1
267.17688	3.2
269.18805	2.7
275.17731	3.7
277.19415	3.6
279.21063	2.4
281.19119	3.5
283.17505	2.4
283.20590	6.4
285.22058	5.2
289.19440	3.1
297.22040	4.1
299.20132	4.0
301.27197	2.4
304.17242	1.9
335.23761	2.6
338.26007	3.2
345.25668	2.3
347.23813	4.5
351.23056	3.7
362.26065	4.3
363.26685	19.1
375.26437	2.6
378.25345	3.2
415.25314	4.3
465.33615	8.5
506.98499	2.3
521.37463	2.8
539.38531	5.2
557.39856	18.8
582.40668	8.2
583.43909	7.3
600.41199	49.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.2934
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15319	1.1
55.01852	1.2
55.05500	12.1
58.99570	12.4
67.05500	9.0
69.03397	1.8
69.07059	7.3
69.54887	8.6
70.06573	2.2
72.08139	1.3
76.02213	77.0
76.03970	2.8
79.05477	7.7
80.05020	1.1
81.07037	9.9
83.04955	2.0
83.06096	2.4
83.08591	7.0
84.04480	13.4
84.08130	2.1
84.85390	1.2
86.09720	2.5
86.99043	3.8
91.05444	6.6
93.07041	7.9
95.04941	2.0
95.08588	7.4
97.06496	1.8
97.10153	13.0
98.13674	1.2
100.12379	1.2
105.07005	7.6
107.04924	2.2
107.08580	10.6
109.06486	3.3
109.10137	3.3
110.07162	1.6
111.12852	1.2
114.03726	1.3
116.01650	23.2
117.07005	2.7
119.08557	7.1
121.06483	2.8
121.10132	2.2
125.09602	10.0
129.06622	2.8
130.04970	6.7
131.08551	5.2
133.10100	6.5
135.08040	2.5
135.11639	2.0
136.07538	1.1
142.03172	8.6
144.01103	12.8
145.06114	1.7
145.10106	4.9
147.08069	1.1
147.11658	4.6
149.09605	2.5
151.11165	2.2
159.11681	3.8
161.09528	2.0
161.13200	1.5
162.02168	44.7
163.11104	1.7
170.02687	3.8
173.09543	1.5
173.13226	1.9
177.12677	1.2
179.04819	100.0
187.05356	3.7
189.11250	6.9
189.12695	1.8
207.13849	2.3
215.04848	2.9
228.10588	1.5
229.19496	1.3
233.05890	13.0
245.06064	2.9
257.18994	2.4
269.77737	1.2
273.18472	2.7
275.20041	28.4
291.06519	1.3
291.19711	2.0
293.21069	20.3
298.61572	1.4
308.09030	36.7
323.27277	1.0
348.97418	1.2
368.22586	14.4
453.24176	5.9
471.25143	16.1
493.12885	1.3
525.26160	3.9
582.28235	1.9
600.29608	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	600.2959
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94064	0.9
55.01860	0.9
55.05505	3.1
56.05001	0.4
57.03417	0.4
57.07083	0.4
58.99575	1.1
65.03913	0.5
67.05159	0.6
67.05493	7.3
69.07055	3.1
70.06567	0.7
71.04976	0.6
71.50098	0.3
71.63049	0.5
74.00656	2.5
76.02203	1.5
76.03992	0.5
79.05475	5.7
80.04987	1.6
81.03368	0.4
81.07043	17.7
82.06560	0.5
83.04961	1.1
83.06083	1.5
83.08602	2.2
84.04491	4.6
85.01094	0.8
85.06512	0.5
86.00648	0.8
88.02215	0.6
89.62386	0.3
91.05472	5.2
93.07030	6.4
94.06554	1.2
95.04934	1.7
95.08588	10.2
96.08107	0.5
97.01117	1.6
97.06503	0.7
99.01404	3.0
99.02673	0.5
99.05553	0.9
100.02182	5.5
102.05512	0.5
105.07008	5.6
106.06541	1.0
107.04946	1.3
107.07389	0.3
107.08572	3.8
108.08058	1.0
109.06498	3.3
109.10137	2.2
111.02637	0.8
111.08069	1.0
112.02165	6.3
113.02955	1.5
113.04211	0.7
114.03735	6.3
115.05753	0.4
116.01673	1.6
117.06985	1.8
119.08556	4.4
120.08092	1.0
121.06525	1.3
121.08783	0.4
121.10107	2.7
122.09647	0.6
123.02661	0.8
123.08039	1.1
123.11687	1.3
124.02164	0.5
125.04199	0.8
126.02937	0.3
126.03723	2.2
127.07563	0.4
128.05231	0.4
128.06198	0.3
129.06522	1.6
130.04962	1.7
131.08508	2.9
132.07999	0.5
133.10092	3.0
134.09671	0.8
135.08044	0.8
135.10387	0.4
135.11670	1.1
136.03954	0.7
137.04179	0.8
137.09610	0.6
138.03723	1.9
139.03224	0.7
139.05766	0.5
140.01572	0.5
140.05261	6.1
141.07108	0.4
142.03253	0.4
144.01105	0.4
145.06184	0.5
145.10115	1.8
147.08051	0.4
147.11653	3.3
149.09642	1.1
149.13199	1.8
151.05710	0.8
151.11183	0.4
152.05284	1.7
153.06577	1.0
154.03424	0.3
154.06775	1.8
155.08214	0.4
157.10149	0.6
159.11673	1.3
161.09567	0.6
161.13260	0.4
162.02213	0.7
163.11137	1.4
163.14749	0.7
166.06871	1.5
167.07655	0.6
168.08389	15.0
169.06036	0.5
169.10205	0.5
171.02238	0.4
171.11650	0.8
173.13176	2.1
179.04869	1.1
181.05933	0.7
183.88054	0.4
185.03795	2.1
187.05333	0.6
189.12706	0.5
191.14342	1.3
193.12196	0.5
202.04015	1.2
207.13741	0.7
209.15254	1.7
210.14890	0.5
215.05005	0.4
216.05566	1.8
222.14899	0.9
229.19530	0.4
231.04289	3.2
233.05923	0.8
236.14680	1.1
241.06404	1.0
248.16402	1.0
255.07948	3.2
257.07788	0.4
257.18961	0.7
264.14102	6.3
265.14944	1.0
269.09521	1.4
270.10266	5.9
270.12930	0.6
271.11069	1.3
275.19995	5.6
275.22739	0.5
281.14444	1.6
282.15170	29.4
283.15460	0.7
292.22742	0.5
293.21127	1.3
307.17233	0.5
308.09024	1.5
323.15964	1.1
333.18637	2.1
350.21399	9.3
351.19626	2.1
368.22501	12.1
378.20837	0.8
384.12213	0.5
384.17050	10.4
384.21796	0.7
385.17822	2.0
435.22827	0.5
448.73074	0.4
453.24112	100.0
454.24396	4.2
479.25323	0.8
481.82779	0.4
507.25031	0.5
517.01111	0.4
525.26300	4.6
535.81128	0.4
537.26233	0.4
582.28217	1.3
583.27435	0.6
600.29480	8.0
601.29315	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.4297
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	8.8
55.01866	10.1
55.05502	42.0
57.03424	7.3
57.07052	10.4
59.05000	2.4
65.03918	3.6
67.05492	91.0
67.67442	1.6
69.03413	12.7
69.07058	39.8
69.07401	3.3
69.93791	8.5
71.04980	7.2
71.08607	3.4
73.06557	1.8
77.03927	1.9
79.05486	70.2
79.05949	3.4
81.03414	5.3
81.07044	100.0
83.04967	11.7
83.08610	28.1
83.75866	1.9
85.02917	1.5
85.06528	6.7
85.10171	2.5
89.06027	7.0
91.04878	3.1
91.05463	68.5
93.07027	88.9
95.04950	23.5
95.08594	71.9
95.09222	2.4
97.02856	3.5
97.06522	31.6
97.10161	5.5
99.08106	4.8
103.05473	5.0
104.10757	2.8
105.07018	71.4
107.04942	12.6
107.08577	65.3
108.86128	1.5
109.06495	26.7
109.10135	30.7
111.08068	8.9
111.11723	2.8
113.09637	8.9
115.05436	5.5
116.06225	1.9
117.06999	28.6
119.04901	1.6
119.08562	63.5
121.06483	10.6
121.10125	57.0
121.11012	2.8
122.10452	2.0
123.08045	18.0
123.11719	11.5
125.05975	2.4
125.09610	10.7
128.06229	5.4
129.06985	15.9
130.07816	3.0
131.08551	45.9
133.06474	6.2
133.08615	3.4
133.10121	49.5
135.08038	15.6
135.11662	21.5
137.09563	15.0
139.11194	12.0
141.07004	6.7
142.07782	14.3
143.06961	3.0
143.07385	3.0
143.08536	31.5
144.09296	2.8
145.06476	3.2
145.10100	51.1
146.10510	2.1
147.08002	9.6
147.11673	20.6
149.09589	23.2
149.13229	5.8
151.06543	1.7
151.07492	9.0
151.11203	4.9
153.06934	1.9
153.12762	2.8
155.08554	12.3
155.10556	8.7
156.09344	9.7
157.10117	31.3
159.08061	7.4
159.11674	34.8
161.09598	8.5
161.13229	12.5
163.11153	13.8
163.14825	3.9
165.06961	5.5
165.09085	14.1
166.07808	2.6
167.08524	6.8
167.10648	43.6
168.09329	2.6
169.10098	17.9
169.12279	2.2
170.10902	5.0
171.08011	1.9
171.11668	21.9
173.09610	8.6
173.13254	15.5
174.48373	1.7
175.11182	3.8
175.14812	9.2
177.09201	2.0
177.11333	2.0
177.12816	3.9
179.08591	5.0
179.14337	3.3
180.09299	4.0
181.10126	10.5
181.12222	13.7
181.54869	1.7
182.10847	6.1
183.11642	20.2
184.12413	2.6
185.09676	2.7
185.13206	16.1
187.11188	7.1
187.14746	9.5
189.12764	5.5
191.14394	4.4
192.09413	2.6
193.10152	7.7
193.12102	2.5
194.10986	6.6
195.11703	15.6
195.13565	3.0
196.12453	3.6
197.13242	16.7
199.09636	2.9
199.14792	8.7
201.12840	2.7
201.16382	11.2
203.14330	6.2
203.18056	2.3
206.10896	3.7
207.11652	7.5
207.13580	3.6
208.12503	4.8
209.13304	18.0
209.15280	3.4
211.11407	2.0
211.14755	14.8
213.12875	2.1
213.16420	3.5
215.14339	3.5
215.18073	2.8
217.10083	1.7
217.15791	4.4
219.11763	2.5
219.17456	4.9
221.13300	6.7
221.15413	24.2
223.14867	7.5
225.12799	2.7
225.16409	3.7
227.14363	2.6
227.17856	2.1
229.15881	10.1
231.17474	2.7
232.85574	2.0
233.13222	4.4
233.15417	17.0
234.13928	3.1
235.14761	3.8
237.16446	3.3
239.12712	2.7
239.18042	4.8
241.19640	2.8
243.21146	1.8
245.13219	3.9
245.15581	3.1
247.14687	2.9
247.16914	24.3
249.16365	3.6
251.17973	4.1
253.15852	2.2
257.13312	2.0
257.18982	4.3
259.14838	4.0
259.20697	1.9
261.22116	6.0
263.18066	2.6
265.17761	3.8
269.19077	2.6
273.18646	3.8
275.20239	9.7
277.19431	3.1
281.19205	2.9
283.20636	3.3
285.18665	3.8
287.20148	4.9
288.12451	2.3
295.20740	2.4
299.20078	6.6
307.22653	10.8
311.20151	3.7
317.24924	2.6
321.20508	18.3
335.25937	15.7
339.22336	1.7
339.29361	4.3
349.23865	7.3
365.24847	3.3
377.24625	2.9
391.26178	4.3
471.36292	2.4
489.37411	3.1
507.34518	1.6
507.38651	2.4
525.39642	3.1
527.37476	2.6
563.39655	3.9
581.41779	42.5
582.42261	4.7
599.42218	97.5
600.41962	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	599.4294
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	7.3
54.28541	1.7
55.01865	12.9
55.05505	31.5
57.03432	24.0
57.07068	4.6
65.03915	2.6
67.05496	83.3
67.05863	3.9
69.03399	5.4
69.07058	28.4
71.04974	8.2
71.63973	2.5
79.05482	92.4
80.05806	2.5
81.03407	2.4
81.07046	86.9
83.04960	7.4
83.08617	21.8
85.06526	10.8
86.34370	1.8
87.04471	2.4
91.04893	2.8
91.05470	90.5
93.07034	92.4
94.45573	2.1
95.04971	13.6
95.08594	68.6
97.06509	14.6
97.10155	7.8
99.08084	9.1
101.06011	2.1
103.05439	2.3
105.07018	70.0
107.04926	8.2
107.08575	50.1
107.11279	1.7
109.06509	16.9
109.10131	22.0
111.08059	6.0
113.09628	6.1
115.05420	3.8
116.06189	1.7
117.06200	2.6
117.07002	34.4
118.57248	2.1
119.08562	57.4
121.06458	5.8
121.10126	40.3
123.08054	9.8
123.11701	11.3
125.09586	9.4
127.07504	2.0
128.06181	2.9
129.06993	16.0
131.08559	53.3
132.08992	1.8
133.10112	33.1
135.08032	35.5
135.11642	21.3
137.09586	8.7
139.11150	3.0
141.06972	4.6
142.07722	4.1
143.08565	18.4
144.09293	1.9
145.10103	46.0
147.08015	5.9
147.11667	25.9
149.09598	18.7
149.13240	7.1
151.11168	4.8
153.06914	2.0
153.12753	2.1
155.08514	8.5
155.10667	2.9
156.09351	3.0
157.10098	23.8
159.11685	29.9
161.13235	10.6
163.11215	9.7
163.14740	3.2
165.09103	10.1
165.12775	2.5
167.08533	4.8
169.10089	17.4
171.11681	18.2
173.09627	3.9
173.13248	25.7
175.11192	12.9
175.14777	4.6
177.12666	3.6
181.10057	3.6
181.12209	3.9
182.10910	2.0
183.10242	2.6
183.11623	12.3
185.13234	15.3
187.11230	2.8
187.14804	8.1
189.11096	2.5
189.12662	2.3
189.16371	2.0
191.14287	90.0
193.10130	3.3
195.11661	7.5
197.13226	7.4
199.14763	5.6
201.12698	3.0
201.16383	5.6
203.14241	8.1
203.17952	2.3
205.15825	7.2
207.11708	2.3
209.13213	7.7
209.15269	2.9
211.14819	10.4
213.16341	6.0
215.14191	1.9
215.17999	5.6
219.17415	8.3
221.13350	4.0
221.15353	19.4
223.14801	3.3
225.16386	2.4
227.17967	2.7
229.15857	8.4
229.19528	2.0
231.17416	5.4
233.15253	2.1
233.18968	2.6
235.14842	3.9
237.16293	3.5
239.17912	5.0
241.19614	2.0
247.16919	17.5
257.18909	6.0
265.17963	2.3
275.17273	2.8
275.20044	24.8
277.21576	2.1
285.18317	2.1
287.20035	3.1
299.20255	2.5
305.20984	2.9
307.22614	41.3
314.13019	1.9
321.20526	11.9
335.25760	30.9
349.23840	16.0
372.35922	2.3
419.29337	2.4
445.42188	7.9
489.37167	3.4
507.38870	3.0
513.35535	2.9
520.34967	2.2
527.37683	10.6
581.41962	100.0
582.42303	2.8
599.42627	61.8
599.51294	10.8
600.42163	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	599.3873
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.2
55.01869	4.3
55.05500	5.7
57.03414	1.5
57.07062	14.0
63.48587	1.0
65.03922	1.5
67.05494	10.4
69.03397	1.6
69.07048	5.2
70.22573	3.1
70.22998	1.9
71.08629	1.1
76.78642	1.1
79.05475	6.5
80.32531	0.9
81.03387	1.4
81.07037	8.1
83.04977	1.6
83.08594	2.1
91.05475	9.2
93.07030	5.3
95.04931	2.7
95.08575	5.0
103.05457	1.9
105.07014	8.4
107.04911	0.9
107.08584	4.4
109.06480	0.9
109.10107	3.3
115.05436	3.2
117.06996	4.1
119.08554	3.9
121.06473	1.6
121.10108	4.6
123.08044	1.4
128.06158	2.2
129.06978	3.7
131.08548	4.8
133.06464	1.2
133.10097	3.1
135.08049	2.0
135.11684	1.3
141.06976	4.1
142.07727	1.9
143.08531	3.9
145.06485	1.8
145.10112	3.0
147.08029	2.2
147.11613	1.0
151.07501	1.1
152.06223	1.3
153.06935	2.9
155.08540	3.4
157.10092	2.6
159.11635	1.5
161.13235	1.1
165.07001	3.4
165.09111	3.0
166.07750	1.6
167.08508	3.0
167.10649	2.1
169.10101	2.3
171.11728	2.0
175.14742	1.1
178.07661	2.1
179.08507	2.5
179.14236	1.0
181.06400	1.3
181.10051	2.0
183.11787	1.1
185.13182	1.0
189.06973	1.3
189.12686	1.2
190.07793	1.2
191.08534	1.9
193.10147	2.6
195.11702	1.0
197.13165	1.0
202.07808	3.4
203.08517	3.6
204.09198	1.8
205.10040	1.2
207.08054	1.3
209.13211	2.1
215.08473	5.4
216.09258	2.5
217.10101	2.6
219.08116	1.3
221.15271	6.2
226.07645	1.2
227.08548	2.6
228.09315	2.4
229.10077	2.4
231.11729	1.2
233.13188	0.9
233.15340	1.6
235.11267	1.0
239.08487	5.5
240.09296	3.4
241.10005	4.3
241.12245	0.9
242.10875	1.3
243.11609	2.8
245.09610	1.9
252.09331	6.3
253.10007	7.1
254.10869	1.7
255.08130	2.2
255.11691	3.0
256.08487	1.3
257.09689	1.5
263.08438	4.7
263.59515	0.9
264.09332	4.1
265.10037	8.4
266.10904	3.9
267.11517	4.5
268.08817	1.2
268.12134	1.1
269.09625	2.1
271.11252	1.0
276.09317	9.9
277.10089	9.2
278.10898	4.5
279.08542	1.4
279.11542	7.6
280.08978	1.1
280.12381	2.1
281.09525	1.6
281.13193	1.6
282.10358	1.5
283.11182	1.9
287.08527	1.2
288.09082	1.4
289.10056	15.0
290.10876	9.0
291.11673	9.7
292.12381	2.5
293.09610	2.8
293.13278	3.3
294.10406	1.8
295.11191	3.3
300.09369	6.0
301.10123	9.9
302.10800	10.4
303.11554	15.2
304.09027	1.4
304.12308	5.7
305.09601	3.3
305.13199	7.9
306.10449	2.0
306.14111	1.3
307.11111	4.3
307.14578	1.4
308.12067	1.7
309.08990	1.2
309.12665	2.0
313.10086	13.1
314.10809	8.0
315.11597	18.0
316.09015	1.6
316.12344	9.6
317.09473	2.6
317.13141	11.9
318.10315	3.0
318.13950	3.2
319.11029	5.3
319.14780	3.1
320.11926	2.6
321.12851	3.0
323.14404	1.2
325.10144	1.7
326.10941	8.6
327.11600	14.1
328.12503	8.5
329.09415	2.6
329.13092	14.1
330.10303	2.7
330.13950	4.1
331.11066	7.1
331.14801	5.1
332.11908	3.4
332.15390	1.2
333.12711	6.3
333.16077	1.2
334.13458	1.6
335.14337	1.4
337.09863	1.4
338.10773	1.4
339.11649	8.2
340.12262	5.7
341.09335	1.6
341.13153	10.1
342.10251	1.6
342.13980	3.9
343.11057	4.5
343.14786	7.3
344.11835	4.4
344.15540	2.1
345.12662	7.3
345.16443	3.6
346.13364	2.8
347.14227	3.9
348.15265	1.1
351.11557	1.9
352.12329	2.0
353.13153	6.7
354.13895	4.5
355.11154	1.6
355.14841	8.3
356.11703	2.2
356.15585	1.9
357.12640	5.8
357.16467	2.3
358.13391	3.3
359.14240	7.6
360.15033	2.7
361.16089	1.3
365.13275	2.2
367.10745	1.4
367.14859	2.2
368.15851	1.2
369.12448	3.3
369.16559	2.5
370.13419	2.7
371.14041	4.4
372.15112	2.4
373.15967	5.2
375.13596	1.5
379.14658	1.3
381.16504	1.2
383.14188	3.7
385.15546	1.6
388.14127	0.9
397.15726	1.1
401.14960	1.5
403.24612	1.5
415.24640	1.3
419.23712	1.8
427.24344	1.6
431.23578	2.0
441.25888	1.6
443.23615	3.8
444.24384	2.1
445.25110	3.4
455.27640	1.5
457.25192	4.4
458.25641	1.2
467.23602	1.1
471.26788	6.7
472.27722	1.5
473.28467	2.0
481.24911	1.0
483.26669	1.7
486.25409	1.3
487.26068	1.5
500.27106	3.6
501.27975	2.2
507.34683	2.1
531.36298	1.1
543.35938	4.5
553.38165	1.4
571.39368	6.4
581.37628	9.2
599.38818	100.0
600.38824	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.3788
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01600	0.8
53.03933	5.4
55.01864	9.2
55.05509	5.0
57.03426	2.6
57.07070	20.8
58.30020	0.7
61.02906	1.1
67.01875	0.6
67.05499	9.3
69.03422	18.4
69.07053	7.6
71.04979	6.4
71.08627	16.6
71.63214	0.8
73.02906	4.9
75.41889	0.7
79.05481	2.9
81.03409	23.0
81.07045	12.1
83.04967	0.9
83.08616	7.3
84.04467	0.9
85.02898	9.7
85.10162	9.0
88.07600	1.1
89.06002	1.1
91.05482	3.8
93.07034	5.2
95.04956	2.6
95.08591	16.8
97.02881	28.2
97.10155	3.3
99.04442	50.7
101.02376	1.6
105.07009	5.0
105.46787	0.7
107.04950	1.0
107.08585	3.0
108.70569	0.8
109.02866	41.8
109.06484	1.4
109.10147	7.2
111.04452	1.0
111.11684	1.2
116.07038	1.4
117.07043	1.2
119.08547	4.3
119.48130	0.7
121.06464	1.4
121.10134	5.8
123.08042	1.2
123.11702	3.0
125.09650	1.4
127.03902	100.0
129.54630	0.7
131.08562	2.7
133.10120	1.8
137.13240	1.1
139.11160	1.1
142.07794	1.2
143.08514	2.0
145.04932	14.2
145.10086	4.1
147.08057	0.9
147.11746	0.8
149.05991	2.0
149.09616	1.3
151.07515	1.1
157.10117	2.5
159.08060	1.5
159.11664	1.8
165.09074	2.0
167.10628	3.7
169.10155	0.9
171.11732	1.7
173.13249	1.3
180.08678	1.4
181.12317	0.7
183.11655	0.9
193.12041	0.8
195.11742	1.1
197.13268	1.0
199.11266	0.9
207.11638	0.9
211.14963	1.0
211.92381	1.0
221.13376	1.0
221.15404	3.3
233.15353	2.8
239.23647	15.1
257.24832	1.5
264.81604	0.7
284.29419	2.3
311.19974	0.8
311.25836	1.6
335.25885	3.4
339.28851	2.9
341.10190	2.4
352.25626	0.9
365.26709	0.8
383.27881	32.4
384.28452	1.4
401.28931	59.0
402.29428	0.9
598.39063	5.2
598.49121	1.1
599.40613	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	598.3554
Annotation	Unknow
Peak:m/z	Relative Intensity
53.93415	1.1
54.95778	1.0
55.05502	1.9
60.04515	2.0
61.83636	1.1
67.05482	3.6
69.03410	1.3
69.07055	4.5
70.03267	3.9
70.06582	5.9
72.04497	1.2
72.08120	1.5
75.24229	0.9
79.05480	3.6
81.03384	1.9
81.07033	3.6
83.04964	1.0
84.08170	2.5
86.09694	100.0
91.05470	1.4
93.07019	2.8
95.04947	1.9
95.08613	1.2
97.06515	13.7
98.09682	11.3
99.05556	2.9
105.07037	2.2
107.04948	1.2
110.07144	1.7
115.05019	1.2
117.06591	1.8
120.08079	1.3
121.10088	1.5
125.10665	1.4
126.09103	1.6
127.05046	8.0
127.32017	1.1
128.44063	1.0
129.10190	1.2
135.11606	1.3
139.04987	3.0
143.11758	16.9
144.07541	1.1
145.06065	4.6
154.15904	5.3
155.11763	3.0
156.07657	4.1
159.04431	1.2
161.05945	1.7
163.03879	2.4
167.11780	3.2
171.11284	8.8
173.05719	1.2
175.07532	1.2
183.11292	3.0
184.07152	9.1
185.12827	6.3
187.03857	1.5
190.91225	1.3
191.06975	2.2
195.11267	5.7
199.18047	2.0
201.09695	2.0
202.08174	3.4
211.18025	23.0
212.13878	1.3
213.12357	4.1
222.12285	1.9
224.13916	2.0
228.13484	2.3
239.17517	11.5
240.13464	2.4
241.09290	1.7
241.12323	1.1
242.14951	2.1
251.90285	1.2
252.13351	10.6
258.14334	3.0
267.13834	2.6
269.16010	3.0
269.20981	5.3
270.14380	7.8
284.19574	1.2
285.14944	1.2
287.12686	4.5
287.16980	4.0
296.19763	2.6
297.15469	4.3
309.15695	2.3
311.12726	2.8
315.16617	4.1
326.18393	2.2
327.16174	1.9
329.13815	1.8
331.15308	3.5
337.14587	1.8
341.21664	2.3
344.19458	2.3
349.50174	1.2
353.21906	1.6
354.17792	3.6
355.15341	11.1
355.23358	1.9
365.21759	1.3
373.16498	7.9
383.22794	4.8
400.25275	2.0
410.23822	3.3
421.25540	1.1
428.24789	2.2
439.26559	2.0
440.25079	2.8
449.25082	2.6
457.27393	5.4
458.27301	1.3
467.26041	14.6
485.27036	11.9
496.31192	4.5
523.32129	1.8
525.73834	1.3
534.34216	1.7
552.34900	3.3
553.33368	4.3
562.33447	7.0
570.27014	1.5
570.35980	22.7
580.34485	37.5
598.35364	9.5
599.24713	1.3
599.39844	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.3023
Annotation	Neobonaspectin B
Peak:m/z	Relative Intensity
51.79377	0.4
53.03933	1.0
55.01857	0.6
55.05503	11.9
57.03175	0.7
57.03428	7.7
57.07057	1.9
60.35071	0.5
61.49229	0.4
65.03911	0.6
67.05492	24.6
67.12379	0.5
69.03376	0.4
69.07055	15.0
69.44866	1.0
69.45287	3.3
71.04987	0.9
71.08615	0.8
73.07014	0.5
79.05482	6.5
81.03408	2.3
81.07043	28.3
83.04943	0.8
83.08607	7.6
83.78642	0.5
85.06508	0.9
91.05466	5.0
93.07016	7.2
93.39319	0.4
95.04939	0.7
95.08591	20.4
97.06511	1.5
97.10149	3.2
98.98447	8.2
105.07017	3.9
107.08575	3.9
109.02859	2.1
109.10130	8.7
111.08025	0.5
111.11682	0.6
117.06964	0.7
119.08548	2.9
121.10123	3.4
123.08031	0.7
123.11684	3.2
125.09602	0.7
133.10088	2.8
135.10693	0.5
135.11612	2.2
137.09653	0.5
137.13214	1.1
139.11122	0.5
147.11658	1.6
149.13219	0.8
155.01021	2.1
161.13202	1.3
163.05981	0.9
163.14691	0.6
175.14807	1.3
193.09903	0.5
237.02094	0.5
245.22707	1.3
261.03741	2.1
263.23685	1.8
335.07349	1.0
337.27310	100.0
338.27597	1.4
339.71985	0.5
499.14273	0.5
597.27173	2.3
597.40515	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.4136
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	4.8
55.01861	20.4
55.05502	17.4
57.03417	11.7
57.03658	2.5
57.07061	8.2
57.77574	2.1
60.09485	2.3
61.01036	2.4
61.41338	2.4
66.35308	2.2
67.05489	45.7
69.06674	3.0
69.07053	61.7
71.01606	7.3
71.04993	4.8
71.08622	4.3
79.05474	46.8
81.03424	5.3
81.07040	45.6
83.04980	5.0
83.08615	13.0
83.50870	2.8
85.06535	4.3
87.04476	3.7
89.06010	5.9
91.05459	48.7
93.07031	39.5
95.04967	11.9
95.08585	33.3
97.06498	29.7
97.10120	2.3
101.82001	2.6
104.07066	5.7
105.06342	1.8
105.07011	49.7
107.04936	11.7
107.08575	28.1
109.06495	15.5
109.10127	15.3
111.08047	3.1
117.06997	17.6
119.08566	38.1
121.06525	4.7
121.10116	18.9
123.08079	7.3
123.11652	4.0
125.09604	5.0
129.06975	16.2
131.08549	36.3
133.10110	36.1
135.08032	10.7
135.11690	11.1
137.09593	3.3
141.06935	3.7
142.07761	5.9
143.08517	22.9
145.10095	33.3
147.08023	5.0
147.11679	25.5
149.06065	3.0
149.09550	12.2
149.13271	5.7
151.11134	3.2
155.08548	8.7
157.10100	20.0
159.11649	21.0
161.09666	5.9
161.13274	11.4
163.11171	7.0
167.08487	4.4
169.10081	12.2
171.10217	5.4
171.11697	19.4
173.13222	15.1
175.14832	6.9
179.08356	2.9
181.10085	8.8
183.10168	4.8
183.11710	10.5
185.13202	12.8
187.14755	6.6
189.12709	5.2
189.16394	5.7
193.10095	2.4
195.11653	7.6
197.13248	10.9
199.14832	9.2
201.16333	5.5
203.17801	2.6
207.11696	4.7
209.13286	10.4
211.14697	6.3
213.16376	18.4
215.17917	2.9
217.15857	3.2
221.13278	4.1
221.15297	3.9
223.14745	5.7
227.17935	2.7
229.15987	4.5
231.17384	21.4
235.14874	3.6
237.16331	6.9
239.18007	4.9
241.19611	8.7
245.15437	3.7
247.17050	4.4
257.19019	3.9
259.20566	12.8
273.18521	8.9
275.20065	15.1
291.19751	2.8
305.21146	11.9
307.22757	5.2
321.20563	14.0
333.24347	7.1
347.22205	4.3
349.23621	13.0
391.29831	3.2
393.28094	2.8
407.29416	6.9
409.31122	8.7
481.33566	3.3
483.34512	7.6
485.33054	6.3
487.35507	5.8
501.35471	4.2
505.36871	7.6
523.37494	4.6
579.40356	46.3
597.41229	100.0
598.41040	4.0
609.44385	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	596.3266
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95155	1.2
51.96421	1.3
53.03936	7.2
55.01865	10.6
55.05251	2.6
55.05498	27.9
56.12900	1.3
57.03423	3.9
57.07061	2.7
61.02934	3.3
67.05489	32.4
68.99805	1.4
69.03416	22.7
69.03763	2.5
69.07061	14.4
70.06570	1.9
71.04969	5.8
71.08624	9.7
71.35188	3.1
73.02906	2.3
79.05477	19.8
81.03403	28.3
81.07037	35.1
83.04944	6.7
83.08602	23.0
85.02890	38.9
85.06525	3.3
85.10204	3.4
86.09711	1.3
87.00814	19.6
87.04433	1.5
91.05460	16.1
93.07027	24.3
94.75000	1.6
95.04971	5.1
95.08593	20.8
97.02872	26.6
97.06493	4.8
97.10148	29.8
99.04427	8.7
99.08088	10.5
100.11241	1.6
105.01850	18.8
105.07021	11.3
107.04950	2.2
107.08569	21.2
109.02856	22.7
109.06496	5.6
109.10127	8.7
111.04424	4.8
111.08056	8.5
113.09608	4.7
115.03884	1.6
117.01810	1.6
117.07009	4.3
119.08535	10.1
120.81377	1.6
121.06446	2.4
121.10112	9.0
123.08038	3.4
123.11713	2.0
125.09604	24.3
127.02950	2.2
127.03888	39.0
129.01826	3.1
129.06956	3.3
131.08543	7.5
133.06441	2.0
133.10126	9.4
135.08009	5.1
135.11662	7.1
137.13242	2.4
139.11150	2.6
145.04922	11.9
145.10103	3.9
147.11711	7.9
149.05945	2.0
149.09599	3.0
149.13216	13.8
151.11148	12.3
153.09044	2.9
159.02864	6.2
159.11685	4.8
161.13295	7.1
163.11136	4.7
163.14735	1.8
165.12714	7.2
171.08086	1.4
171.11617	1.6
173.13235	4.9
175.11189	2.2
175.14758	2.0
177.12753	4.2
179.14313	5.0
185.13251	1.8
189.11177	43.1
193.15918	1.8
195.02823	1.6
195.13757	31.0
199.14803	1.6
207.13943	1.7
207.95705	1.4
213.03902	6.4
213.14812	38.4
213.16852	2.3
214.15141	1.5
219.13852	1.5
231.04893	12.4
231.20979	1.7
237.14778	11.2
241.19470	4.4
247.04460	1.4
249.06059	2.1
249.14816	5.4
259.20486	7.4
261.14838	2.6
275.16235	1.9
277.21564	94.7
278.21909	1.5
279.15945	4.9
279.23108	22.3
285.14786	4.8
294.87421	1.3
295.22620	100.0
297.13327	2.7
297.24191	2.3
303.15878	8.3
313.23737	2.4
321.16830	5.4
321.20349	1.6
331.13818	6.3
385.23834	1.9
389.15747	1.6
397.49423	1.3
397.55841	1.9
407.16800	3.5
425.17984	9.5
429.82407	1.6
443.18988	4.6
507.25705	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	597.2875
Annotation	Unknow
Peak:m/z	Relative Intensity
55.20268	0.6
67.05503	1.5
69.07060	0.9
70.08185	2.1
70.08607	1.1
79.05479	1.5
81.03381	0.7
81.07062	1.0
91.05453	1.2
93.07039	2.3
95.08606	0.8
98.20776	0.7
105.07000	1.4
107.08579	1.3
109.10175	1.0
117.59106	0.5
119.08592	1.3
121.06519	0.7
121.10151	1.7
123.08084	0.7
123.11671	0.5
126.21876	0.5
129.07008	0.6
131.08560	1.4
133.10143	1.2
135.11717	0.7
143.08510	0.9
145.10130	0.7
145.11667	0.6
147.11676	0.9
159.11658	0.8
163.11142	0.7
167.10707	1.7
169.10184	0.7
185.13235	0.6
203.05217	3.0
221.15475	0.6
233.15424	0.6
311.64096	0.6
393.92661	0.6
417.22348	16.3
435.23486	15.1
531.16516	0.6
579.39221	1.2
597.28766	100.0
598.29016	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	596.3093
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	2.9
53.86242	2.0
55.05499	14.1
57.03412	4.3
57.07060	3.6
57.77335	2.2
58.02093	2.0
65.03930	2.0
67.05491	69.5
69.03405	4.6
69.07050	14.9
69.74799	4.5
69.75193	12.9
75.99352	2.0
79.05479	41.6
81.03391	6.0
81.07044	78.8
83.04972	2.6
83.08601	8.7
85.06484	3.4
91.05457	24.8
93.07027	53.7
95.04954	4.3
95.08585	64.4
97.06515	4.5
97.10168	2.8
98.21442	5.1
99.04450	2.8
99.08079	5.4
105.07000	21.1
107.08571	39.7
109.02859	8.3
109.10137	28.4
110.03625	2.7
111.04436	3.9
117.07005	6.0
119.08558	16.6
121.10118	34.1
123.11687	14.2
127.03867	3.4
131.04878	3.0
131.08545	21.2
133.10094	18.4
135.11658	26.4
137.09602	3.5
137.13210	5.1
145.10085	15.9
147.11638	12.6
149.13226	21.4
151.11224	4.1
159.11653	15.0
161.05927	2.3
161.13246	9.5
163.14793	18.0
173.13252	17.5
175.14816	4.8
177.16371	5.2
184.76372	2.4
187.14752	8.1
191.00061	3.3
201.16388	2.8
215.18007	2.9
229.25517	2.1
233.22548	2.8
243.21034	36.9
261.22107	100.0
279.23102	6.3
335.25751	31.8
336.26215	2.3
337.27280	6.1
353.26791	58.0
479.23715	2.6
561.27203	11.7
578.39459	4.0
596.39136	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	596.2696
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77314	0.4
53.03930	0.9
55.01859	0.7
57.03424	1.6
58.25456	0.4
61.02916	1.4
69.03424	6.6
70.06581	100.0
71.06905	0.5
71.62135	0.9
73.02905	1.4
81.03403	2.7
84.04507	0.6
84.08141	1.1
85.02892	16.3
87.04466	1.7
91.03926	1.1
97.02881	5.4
99.04440	1.6
107.04939	10.1
107.05603	0.7
109.02877	1.8
120.08033	0.7
127.03888	4.5
133.06517	1.3
134.09653	0.9
145.04962	2.6
145.06458	0.5
157.88727	0.5
164.10695	0.7
171.08022	0.6
175.11273	0.5
203.10748	0.7
226.49521	0.5
251.08984	0.5
254.15373	2.7
272.16415	26.4
279.13293	0.5
434.21686	15.5
596.26935	64.8
597.26855	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.3679
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39179	4.7
54.78317	5.2
55.01859	8.7
55.05495	27.9
57.07064	11.8
63.86137	4.4
65.68715	6.3
67.05495	33.2
69.03427	26.5
69.07069	52.6
69.86244	33.8
70.06583	20.6
71.05003	6.6
71.08615	8.7
72.93720	5.2
77.90844	5.3
79.05484	13.8
81.03391	26.2
81.07050	100.0
83.04972	5.8
83.08627	27.1
84.08116	9.3
85.02894	71.6
85.06527	9.8
86.09691	12.0
87.00808	21.3
92.10161	5.6
93.07030	26.5
95.04936	4.9
95.08598	94.4
97.02878	22.3
97.06495	5.9
97.10164	16.3
99.08073	7.9
105.01857	62.1
105.07027	11.6
107.04951	9.4
107.08579	19.8
109.02856	9.3
109.10150	65.0
111.08071	6.8
111.11713	16.4
119.08568	12.7
120.93379	5.3
121.10124	12.4
123.11693	41.5
125.13273	19.3
127.03912	47.9
129.07043	9.0
129.10182	6.3
131.08534	6.5
135.11714	15.1
137.13245	33.8
142.33693	6.5
145.04926	16.8
149.13234	18.6
151.14801	9.4
153.35876	5.6
161.13313	5.9
163.14807	12.0
165.16382	9.2
167.14337	5.7
177.16347	8.8
186.09270	6.6
213.04001	6.1
231.04933	13.9
239.00987	6.2
245.08997	5.7
249.06026	12.6
275.27298	12.5
287.05478	22.1
293.28317	39.0
358.57541	5.5
415.25348	6.9
433.25571	15.7
505.31293	9.2
509.20074	6.3
551.38464	6.9
595.30054	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	595.31
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.6
53.93750	1.3
55.01857	3.4
55.05507	9.9
57.03427	4.1
61.02693	1.5
61.02920	17.9
67.05492	23.0
69.03409	4.7
69.07046	4.9
70.06568	4.6
70.26788	7.8
71.04991	2.7
73.02898	5.1
79.05473	16.9
81.03410	4.6
81.07045	22.8
83.04986	2.6
83.08591	6.2
85.02890	15.8
85.06538	3.5
86.09702	1.9
87.12359	1.6
91.03941	9.0
91.05457	25.6
93.07026	14.4
95.04932	4.7
95.08589	11.4
97.02876	8.8
97.06530	4.4
97.10240	1.6
99.63805	1.5
103.05398	2.8
105.07004	17.8
107.04934	2.7
107.08555	6.2
109.06467	2.9
109.10104	3.4
110.07127	2.7
111.08061	3.3
115.05421	2.2
116.10665	2.0
117.07005	18.9
119.04929	1.6
119.08542	13.9
121.06476	3.3
121.10115	7.1
123.08078	1.8
125.09635	2.3
127.03864	4.4
128.06209	5.1
129.05553	2.2
129.06981	16.0
131.08546	20.9
133.06468	2.3
133.10097	10.0
135.04419	1.9
135.08063	2.0
135.11661	5.3
137.09595	2.9
141.06972	10.2
142.07849	3.0
143.08566	12.7
145.06430	5.1
145.10106	16.4
147.08031	3.1
147.11594	3.9
149.05986	2.3
149.09569	4.1
155.08516	10.4
157.06409	2.2
157.10112	13.4
159.07962	2.1
159.11607	9.5
161.09613	3.9
163.11096	2.5
167.08519	4.0
168.09363	2.6
169.10078	11.4
171.11617	11.4
173.09598	2.7
173.13315	1.8
175.11183	4.1
177.09033	3.8
177.12701	2.7
179.08501	3.1
180.09291	2.2
181.10042	9.0
183.07962	2.9
183.11639	13.4
185.09555	4.4
185.13239	6.2
187.11148	9.2
187.14799	2.4
190.07565	1.8
193.10089	2.4
193.72523	1.7
195.11638	8.4
197.09573	5.8
197.13196	5.2
199.11098	2.0
199.14822	2.3
201.12733	2.8
207.11694	2.9
209.13203	3.4
211.11165	6.2
213.12677	3.0
217.12256	2.4
219.01869	1.7
221.13277	4.0
225.12708	2.7
229.12271	2.6
229.14249	1.9
239.68936	1.9
243.13818	2.0
257.15314	1.6
277.19556	4.7
287.05408	3.5
287.17929	4.0
295.20572	10.4
305.18906	3.9
313.21533	18.3
315.22940	2.2
323.20010	20.7
341.21036	17.0
359.22006	6.2
397.23538	5.3
415.24722	100.0
433.25711	37.6
577.29840	2.0
595.30695	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	595.2869
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91836	0.8
53.03926	1.3
55.05502	8.0
57.03437	7.3
57.07047	1.0
65.03927	1.5
67.05495	31.2
69.03429	1.0
69.07053	7.2
71.04994	1.2
71.60840	1.3
76.99411	0.8
78.98299	0.8
79.05486	16.5
81.03403	5.0
81.07047	27.1
83.08622	2.3
91.05451	8.2
93.07027	16.4
95.04967	1.9
95.08593	22.3
97.10172	1.8
98.98457	9.2
99.04441	0.8
105.07027	5.9
107.08593	7.5
109.02866	2.5
109.10149	8.8
111.97604	1.0
117.06991	2.2
119.08573	4.7
121.10138	6.4
123.08068	0.8
123.11687	1.9
125.26733	1.0
127.03909	1.0
131.08583	3.1
133.10107	3.1
135.11713	3.8
145.10110	2.3
147.11699	2.6
149.13254	2.0
155.00974	1.4
159.11688	1.5
161.13203	1.1
163.06007	0.9
174.04903	1.0
187.14781	1.0
261.03580	2.5
261.22159	1.1
287.05438	3.0
335.07309	1.5
335.25742	100.0
336.26099	2.0
418.87439	1.0
595.39435	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2866
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.7
55.01849	0.7
55.05257	0.6
55.05497	8.0
57.03430	6.9
57.07048	1.1
65.03917	0.8
67.05492	30.6
69.03413	1.2
69.07056	7.9
69.07395	0.3
69.53188	0.3
69.72844	2.2
71.04970	1.0
79.05476	16.2
80.05783	0.4
81.03408	4.1
81.07040	27.9
83.04967	0.9
83.08600	2.5
85.02854	0.8
85.06527	0.4
91.05456	8.0
93.00477	0.3
93.07026	18.0
95.04939	1.7
95.08589	22.2
97.06506	1.0
97.10146	1.0
98.98444	10.8
99.04436	1.1
103.22324	0.4
105.07013	5.5
107.08568	8.0
108.89903	0.3
109.02850	3.8
109.06486	0.8
109.09443	0.7
109.10139	8.6
111.08010	0.5
117.06989	2.0
119.08570	4.0
121.10120	6.3
123.08058	1.1
123.11688	2.1
126.65570	0.3
127.03897	1.6
131.08525	3.5
133.10101	3.0
135.11670	3.6
137.09595	0.5
137.13226	0.5
145.04881	0.6
145.10088	1.5
147.11653	1.7
149.13222	1.6
155.01006	2.4
159.11673	1.6
161.13237	1.5
163.06065	0.9
163.14830	0.6
173.02061	0.6
173.13234	1.2
175.14832	0.5
177.12694	0.3
178.22461	0.4
187.14714	0.6
243.21085	1.1
261.03680	2.7
261.22076	2.4
317.05829	0.4
317.24738	0.8
335.07300	1.2
335.25723	100.0
336.26059	2.4
398.26093	0.3
469.60980	0.3
577.39221	0.4
595.39514	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.3097
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.2
55.01863	5.4
55.05503	12.2
57.03422	6.5
61.02920	27.3
67.05502	21.7
69.03410	6.2
69.07063	9.5
69.96771	6.9
70.06580	2.5
71.04974	2.3
73.02905	7.4
73.06564	2.0
79.05481	25.9
81.03407	12.0
81.07050	26.8
83.04945	4.6
83.08611	10.5
85.02892	22.4
86.09695	3.6
91.03950	12.9
91.05463	33.4
93.07036	27.3
95.04958	7.4
95.08598	14.0
97.02877	14.7
97.06518	6.9
97.10162	2.3
98.20788	1.6
99.04426	3.4
99.08134	2.2
103.05476	2.5
105.07018	23.4
107.04941	6.8
107.08582	8.8
107.68490	1.4
109.02860	4.3
109.06503	4.1
109.10167	3.7
110.07138	2.7
111.04439	1.4
111.08065	3.7
115.05434	4.4
117.07005	23.9
119.04916	1.7
119.08566	16.1
120.08085	1.6
121.06490	5.7
121.10129	8.1
123.08016	2.7
125.09612	2.8
127.03902	4.5
128.06212	3.3
129.05518	2.0
129.06996	26.6
131.04959	3.8
131.08549	30.6
133.06493	6.2
133.10133	6.8
135.08051	7.2
135.11702	3.5
137.09573	3.2
141.06966	17.3
142.07777	3.1
143.08543	21.4
145.04910	2.2
145.06441	10.2
145.10109	11.5
147.07980	7.6
147.11699	2.7
149.09572	10.2
153.06946	2.6
155.08543	17.7
157.06474	4.6
157.10097	10.8
159.08029	3.8
159.11668	7.4
161.09598	3.8
163.07724	2.2
163.11150	2.8
165.07001	3.0
167.08536	11.0
169.10114	16.5
171.08014	2.4
171.11595	9.3
173.09639	3.5
173.13260	3.3
175.11154	2.7
178.07613	1.8
179.08527	3.9
181.10033	7.9
183.11618	10.5
185.09637	6.6
185.13206	7.7
187.11156	5.7
187.14854	2.0
189.12761	1.7
193.10123	7.0
195.11662	12.6
197.09618	3.2
197.13252	10.8
199.11150	4.5
201.11093	3.3
201.12778	4.1
203.14294	3.9
205.10202	2.8
207.11705	8.7
209.13222	6.4
211.11237	8.5
211.14792	4.1
213.11005	2.6
213.12756	5.8
215.14281	6.4
219.11635	1.9
221.13277	6.4
223.11157	3.9
223.14919	1.8
225.12692	12.4
227.14256	1.7
229.12302	3.4
229.15678	2.0
239.14307	8.2
243.13806	4.2
247.13245	2.7
257.15372	3.0
267.20828	1.8
277.19528	4.9
287.05508	4.5
287.17920	4.6
295.20526	6.4
301.73688	1.6
305.19031	12.9
313.21573	10.6
314.73615	1.7
323.19986	48.3
341.21088	31.2
353.64554	2.1
359.22223	11.1
377.23334	1.7
387.25351	3.4
397.23822	8.3
405.26321	1.7
415.24744	100.0
433.25827	73.2
577.29633	2.6
595.31421	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	593.2749
Annotation	Unknow
Peak:m/z	Relative Intensity
64.87363	0.2
67.02802	0.2
69.46397	0.4
69.46733	2.4
73.74487	0.2
75.72967	0.2
80.09299	0.2
111.74429	0.2
298.77310	0.2
350.31436	0.3
377.17578	0.2
385.21390	0.3
387.15967	0.5
388.16751	0.5
389.17578	0.5
390.17911	0.4
402.18304	0.8
403.19220	2.4
404.20099	1.1
405.20898	1.4
406.21686	0.4
416.19797	0.9
417.16190	0.7
417.21329	3.0
418.21896	1.6
419.17294	0.4
419.22235	3.2
420.23071	0.5
430.17767	0.7
431.18109	7.6
432.18408	2.3
433.24005	6.7
434.24478	1.5
444.19046	0.4
445.19888	9.1
446.20551	4.5
447.21664	4.4
448.22437	0.5
459.21548	3.6
460.22464	11.0
461.23218	11.2
462.23920	0.7
463.21280	0.4
473.23840	1.7
474.23950	0.8
476.25815	1.3
477.22537	0.8
477.27536	0.3
487.24716	1.1
489.26752	0.4
491.24240	0.8
492.25070	1.1
505.21869	4.3
506.22519	0.4
515.24786	0.4
518.22870	0.5
519.23834	0.8
533.25415	43.0
534.25812	3.3
547.26721	0.5
564.23364	0.5
565.27850	0.8
575.26007	0.6
593.27502	100.0
594.27802	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	595.1646
Annotation	Datiscin
Peak:m/z	Relative Intensity
53.03908	0.3
53.14721	0.2
57.03429	1.8
61.02893	0.6
68.99787	0.3
69.03395	0.9
70.68785	0.7
71.04984	9.6
73.02900	0.3
75.04480	0.3
80.32310	0.2
81.03402	0.6
83.04966	0.6
85.02890	13.1
87.04437	0.3
97.02861	1.1
99.04425	0.4
108.58802	0.2
109.02834	0.5
109.59016	0.3
111.00788	0.3
111.04409	0.3
121.02831	1.3
127.03868	0.7
129.05469	3.7
133.02811	0.3
137.02316	0.6
140.37717	0.2
145.04926	1.0
147.04402	0.4
147.06499	0.8
149.91554	0.3
153.01805	1.8
165.01823	1.0
183.02846	0.5
213.05484	0.9
227.88754	0.2
231.06491	0.4
241.04929	0.4
258.05441	0.6
259.05920	0.3
287.05450	100.0
288.05798	2.0
449.10657	0.7
593.69171	0.3
599.05640	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1647
Annotation	Datiscin
Peak:m/z	Relative Intensity
55.05491	0.2
55.50976	0.2
57.03430	1.5
59.04991	0.2
61.02917	1.7
68.99780	0.4
69.03418	0.3
69.47386	0.8
69.47809	0.3
70.06575	0.3
71.04982	8.6
72.08109	0.1
73.02878	0.6
75.00446	0.1
75.04462	0.4
76.94904	0.1
82.86395	0.1
83.04952	0.4
84.08138	0.2
85.02891	12.3
86.09693	0.2
87.04437	0.3
91.03934	1.1
97.02871	0.9
99.04370	0.2
103.03850	0.1
107.04918	0.2
109.02821	0.2
111.00767	0.4
111.04412	0.5
121.02850	1.6
127.03890	0.5
129.05453	3.5
133.02832	0.4
137.02325	0.4
145.04930	0.3
145.06532	0.2
145.98410	0.2
147.04384	0.4
147.06497	1.0
149.07352	0.2
150.31488	0.1
153.01796	2.2
157.06444	0.2
165.01825	1.1
171.04324	0.2
183.02853	0.6
185.05984	0.2
213.05470	0.8
231.06453	0.5
241.04872	0.8
258.05316	0.8
259.05820	0.2
269.04312	0.2
287.05441	100.0
288.05743	2.0
329.06451	0.2
449.10675	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2744
Annotation	Pheophorbide a
Peak:m/z	Relative Intensity
56.83622	0.3
63.17775	0.2
69.55931	2.2
109.80435	0.3
110.68345	0.3
123.20481	0.3
197.10837	0.3
209.10779	0.3
252.05989	0.3
324.11459	0.3
388.16849	0.4
389.17603	1.1
401.17484	0.4
402.18558	0.8
403.19168	2.3
404.19971	0.8
405.20529	1.9
416.20392	0.7
417.16122	0.6
417.21307	3.1
418.21988	1.4
419.22333	3.3
420.22815	0.4
421.23715	0.4
430.17902	0.9
431.18188	7.6
432.18304	2.1
432.24084	0.9
433.24078	5.2
434.24603	1.2
445.19882	8.7
446.20718	4.5
447.21576	5.0
448.22379	0.5
449.23026	0.4
459.21429	3.9
460.22479	10.2
461.23230	9.4
473.23572	2.1
474.23990	1.0
476.26181	0.7
477.22665	0.8
487.24881	1.1
491.24579	0.9
492.25140	1.6
505.21976	6.2
518.23419	0.5
519.23822	0.9
533.25391	30.1
534.25781	1.6
564.23804	0.6
565.27826	0.6
578.25189	0.4
593.27466	100.0
594.27734	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	592.3319
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02345	1.8
53.03931	4.5
55.01866	14.3
55.05507	10.9
57.03428	16.7
57.07063	3.8
61.02909	5.6
66.93931	1.6
67.05164	2.3
67.05499	36.9
69.03420	64.5
69.07054	9.6
69.28059	2.0
69.72846	12.7
71.01342	1.8
71.04994	9.2
73.02899	7.4
79.05480	34.4
81.03406	34.9
81.07042	41.4
83.04964	7.0
83.08592	6.7
85.02892	100.0
85.06539	3.2
86.09712	2.1
87.04433	4.0
91.05463	29.6
93.07034	40.9
95.04966	9.2
95.08594	34.1
97.02874	33.8
97.06513	6.9
97.10172	3.3
99.04428	12.0
99.08061	2.7
101.02367	8.2
103.03925	4.9
103.05460	2.9
105.07012	26.6
107.04943	4.6
107.08582	19.3
108.04488	2.0
109.02842	8.9
109.06487	7.0
109.10141	17.0
110.07153	2.2
111.04420	7.8
111.08061	4.2
113.09618	1.8
115.03929	6.7
115.05428	2.0
116.06321	1.7
117.06985	15.7
119.08558	25.3
121.06490	5.2
121.10124	24.7
123.04388	3.7
123.08058	4.2
123.11687	7.4
125.09618	3.1
127.03902	64.3
127.78732	1.6
128.06229	2.2
129.05453	4.0
129.06996	8.7
131.04865	3.5
131.08551	23.7
133.06468	2.4
133.10130	22.3
135.08055	4.3
135.11673	19.0
137.05876	3.3
137.09604	5.4
137.13324	2.1
139.07585	2.5
141.06949	5.0
142.07713	2.1
143.08562	9.8
145.04947	36.3
145.06201	2.6
145.10130	21.5
147.08046	4.1
147.11681	16.2
149.09601	5.6
149.13211	6.7
151.07529	3.7
151.11195	1.9
153.09117	1.9
155.08537	4.8
157.10101	10.6
159.08043	3.7
159.11658	20.6
161.09622	5.1
161.13249	8.0
163.05988	3.8
163.07521	3.3
163.11174	6.6
165.09120	4.2
169.10077	8.2
171.08009	3.2
171.11696	10.5
173.13264	14.1
175.11159	4.4
177.09019	2.6
177.12773	3.9
179.10693	2.2
180.08624	14.3
183.11644	7.7
185.09558	3.5
185.13242	7.1
187.11073	5.4
187.14771	4.7
189.12666	4.7
189.16322	2.2
191.14284	1.9
195.11642	1.9
197.13266	2.7
198.46918	1.9
199.11064	2.4
201.12843	4.2
205.12169	3.0
209.13309	3.4
213.16414	8.0
215.17912	14.5
217.12164	2.4
225.12675	4.6
225.16278	1.8
227.17986	4.3
229.12346	3.7
231.17467	6.9
233.18939	14.4
239.17955	2.7
241.19484	2.5
243.17442	2.3
245.19023	5.4
247.20546	2.0
249.18436	6.9
251.20049	5.0
255.17389	1.8
257.18851	4.3
259.16809	2.2
261.14874	2.6
261.18436	3.9
263.20078	6.0
269.18933	4.5
273.18542	4.0
275.20029	18.6
285.18408	3.0
287.20010	6.5
291.19638	4.1
293.21017	2.5
299.19971	6.5
301.18027	2.1
313.21542	7.3
317.20972	3.2
320.26855	1.9
323.20059	6.5
329.20886	2.1
331.22949	2.0
341.21155	28.7
359.22119	44.1
377.23175	56.0
395.24210	18.4
413.37259	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.332
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	7.8
55.01613	1.2
55.01865	14.4
55.05500	9.2
57.03426	5.4
57.07058	1.7
61.02913	1.8
65.03921	0.9
67.01855	1.3
67.05495	30.7
68.64406	0.9
69.03419	34.7
69.07076	4.7
70.18179	4.7
71.04982	11.9
73.02904	9.2
79.05481	37.7
81.03406	37.6
81.07046	28.8
83.04966	3.1
83.08593	4.2
85.02893	16.5
85.06528	1.9
91.05468	14.0
93.07030	38.4
93.07621	2.0
95.04951	4.1
95.08596	25.0
95.99107	0.9
97.02882	36.6
97.06527	1.5
97.10136	1.4
99.04442	59.6
99.08079	1.0
101.02368	4.0
105.07008	9.5
107.08582	15.0
109.02864	31.8
109.06474	1.2
109.10132	14.4
109.10817	1.4
111.04438	8.7
111.08080	1.7
113.09627	1.1
115.03929	1.9
117.06989	5.2
119.08566	11.2
121.10126	27.7
123.08040	1.5
123.11687	7.2
125.09603	2.0
127.03897	100.0
129.05444	2.9
129.06969	2.0
131.08524	9.5
133.10104	11.2
135.08095	1.3
135.11655	12.8
137.13225	1.6
139.11191	1.5
143.08577	0.9
145.04942	18.3
145.10106	8.3
147.11658	7.7
149.09654	2.6
149.13275	6.6
151.11174	1.6
153.09267	0.9
157.10045	1.6
159.08072	0.9
159.11649	6.9
161.09636	1.1
161.13239	2.0
163.11124	1.9
171.11694	2.3
173.04773	0.9
173.13274	4.8
175.11101	1.3
177.12801	1.6
180.08670	1.5
187.14890	1.3
189.16324	1.2
191.17911	1.2
203.14290	0.9
213.16357	4.8
215.17926	14.2
229.12212	1.1
231.17424	8.1
233.18965	17.7
235.00977	0.8
241.19701	1.0
249.18491	10.7
250.19202	1.0
251.20053	7.3
275.20245	1.0
287.20032	2.2
313.21527	1.3
323.20120	2.1
329.21112	3.2
331.22943	1.1
341.20920	4.7
359.22217	5.0
377.23190	10.9
395.24246	71.4
396.24734	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.497
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.6
55.05502	12.2
55.24637	1.2
56.74842	1.2
56.96992	1.4
57.03429	9.0
57.07067	32.8
65.03925	1.5
67.05493	39.7
69.07058	11.0
70.84224	2.9
70.84592	2.2
71.05005	1.4
71.08618	22.6
73.84462	1.3
76.22856	1.5
79.05470	22.1
81.07040	49.8
83.08604	10.9
85.10169	12.2
89.06012	1.7
91.05465	12.5
93.07027	29.4
95.08591	45.7
97.06455	1.9
97.10152	5.9
98.23235	1.5
105.07037	9.2
107.08572	17.4
109.06495	1.8
109.10144	22.0
117.06995	3.3
119.08553	7.8
121.10117	15.3
123.11691	10.1
131.08560	10.9
133.10123	7.4
135.11678	11.8
137.13203	3.0
143.62431	1.2
145.10106	7.5
147.11664	4.3
149.13214	8.4
151.14789	1.7
159.11710	6.8
161.13235	3.1
163.14796	4.1
173.13251	6.5
175.14735	2.4
177.16286	1.9
187.14833	4.8
239.23657	4.1
243.20924	9.5
257.24738	1.4
261.22076	44.6
262.22430	1.7
271.70337	1.4
279.23270	3.0
313.27310	100.0
314.27643	2.5
317.24664	9.2
335.25714	56.7
391.46078	1.3
475.61365	1.5
499.44934	1.7
573.48535	22.2
591.49622	12.0
592.49365	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.3367
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	6.7
53.73848	2.1
55.01871	4.5
55.05495	18.5
56.05017	2.0
56.05970	1.8
57.03417	5.2
57.07055	7.9
59.04965	2.9
61.12893	1.8
67.05492	28.5
68.99773	2.5
69.03417	22.9
69.06715	3.2
69.07059	50.9
70.06577	10.3
71.01295	2.2
71.04984	13.7
71.08588	4.5
71.63493	2.8
72.08138	3.5
74.06055	2.0
79.05482	18.0
81.03409	17.3
81.07045	100.0
83.04974	5.3
83.08597	17.7
84.04479	3.6
84.08113	7.8
85.02892	43.1
85.06527	5.4
86.09677	7.6
87.00819	16.2
87.04439	2.9
91.05466	18.3
93.07026	55.2
95.04959	15.4
95.08592	79.3
97.02873	15.3
97.06502	9.6
97.10149	9.3
99.04436	8.5
99.08077	2.4
102.62464	2.0
105.01825	16.2
105.07013	23.0
107.08576	42.2
109.02863	13.1
109.06490	9.5
109.10139	51.0
111.08057	10.7
111.11690	7.9
116.10732	4.3
117.06989	3.1
119.08559	15.0
120.08073	2.4
121.06449	2.6
121.10125	33.0
123.08022	4.2
123.11678	38.0
125.09550	3.6
127.03912	24.9
129.10176	2.6
131.07526	1.8
131.08519	8.2
133.10115	12.6
135.07994	3.0
135.11671	35.6
136.46249	2.0
137.09567	5.7
137.13231	27.2
139.11150	7.7
145.04942	6.5
145.10135	11.6
147.11688	10.6
148.07530	2.4
149.09657	3.5
149.13297	13.7
151.11122	8.1
151.14778	4.0
153.12691	9.7
155.10669	3.8
155.14246	2.7
157.10165	2.2
159.02859	4.7
159.11668	8.5
161.13185	8.1
161.71638	2.0
163.11130	10.8
163.14815	6.2
165.12721	6.0
167.14241	2.5
169.12170	4.3
173.13179	4.7
175.14844	3.6
177.09048	2.5
177.12750	2.1
177.16389	4.9
181.12201	12.0
191.17857	2.8
199.13185	3.6
201.16370	2.6
203.06966	4.6
213.03923	3.9
215.17906	5.9
221.08000	9.2
226.14287	3.2
227.08794	2.4
231.04968	7.1
244.15306	3.4
245.15686	5.6
269.12869	2.6
271.24081	12.3
277.25241	3.3
289.25198	18.1
293.13614	6.5
295.26288	3.6
299.14575	3.4
307.26218	29.1
325.27350	11.5
330.15680	2.6
343.23102	4.4
415.10132	2.6
432.18842	3.3
434.20682	2.7
450.20096	4.7
494.56726	2.5
519.29242	3.6
591.27844	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.2207
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88289	0.2
55.01862	0.3
55.96953	0.2
55.99594	0.1
56.05033	0.2
58.42539	0.1
60.04515	0.2
61.01134	0.5
67.05164	0.1
67.05478	1.1
68.99765	0.9
69.03409	0.3
69.07036	0.2
70.06577	3.2
70.97148	0.2
70.97469	0.2
72.04492	0.8
72.08146	1.2
74.06049	0.2
78.03784	0.9
81.03396	0.2
81.07040	0.2
84.04506	0.9
84.08123	1.4
85.02882	0.6
85.06538	0.2
86.09692	2.2
88.02197	0.7
88.03972	0.2
88.89689	0.1
95.04936	1.0
99.04449	0.3
99.05562	0.3
101.07050	0.2
102.03747	1.6
102.05569	0.3
105.78006	0.2
109.02839	0.3
110.07168	0.2
112.07555	0.4
112.08730	0.2
113.05948	0.3
114.03737	0.3
116.07075	0.3
120.08055	0.3
123.04416	0.4
124.07565	0.2
126.03519	0.2
127.03889	0.5
129.10216	0.8
131.06343	1.1
132.04788	1.6
140.07071	0.2
142.08623	0.6
147.04382	0.2
149.07408	12.0
151.03871	100.0
152.04193	0.7
159.05832	0.5
184.09662	0.5
197.12735	0.2
209.26941	0.2
215.13826	0.3
217.08130	0.2
222.07397	0.2
227.06766	0.2
243.11514	0.2
261.12631	9.1
279.13766	0.8
299.10480	1.1
306.37628	0.2
313.09106	4.7
328.77905	0.2
347.96762	0.2
384.13083	0.3
453.75674	0.2
461.15820	6.2
485.82455	0.2
568.30200	0.2
573.21088	2.7
591.14215	2.5
591.21295	0.2
591.28687	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.2211
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87403	0.3
51.60346	0.4
54.65570	0.4
55.01865	0.5
61.01128	2.0
67.05483	1.5
67.31110	0.3
68.99767	1.0
69.03403	1.0
69.74408	2.1
70.06590	1.6
72.04509	2.8
76.93298	0.4
78.03777	5.1
81.03425	1.6
84.08131	0.7
85.02885	1.6
85.06546	0.3
86.09680	0.8
88.02198	1.8
93.63838	0.3
95.04957	1.8
97.02869	0.8
98.21463	0.6
99.04448	0.4
99.05517	0.5
99.58401	0.4
102.03754	8.5
103.02149	0.5
109.02866	0.9
113.05972	0.5
114.03764	0.6
114.57655	0.3
120.04803	1.2
123.04409	0.3
124.07590	0.4
126.72894	0.3
127.03918	1.8
129.10316	0.4
130.08595	0.4
131.06369	6.7
131.07346	0.4
132.04773	5.1
139.88640	0.3
142.08614	1.1
145.05032	0.3
149.07422	59.6
150.07774	0.6
151.03883	100.0
152.04260	1.6
159.05872	1.1
169.04929	0.7
175.05336	0.7
184.09706	1.2
191.08488	0.7
211.13280	0.6
222.07550	2.4
232.05161	0.3
243.11482	0.8
261.12640	19.4
279.13693	2.6
289.45679	0.4
295.07993	0.7
299.10568	31.6
300.10822	1.2
308.63904	0.4
311.12799	0.5
313.09097	0.7
341.11810	0.4
411.15768	6.8
429.16907	0.5
461.15839	4.9
528.58423	0.4
573.21216	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	591.1701
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.4
55.01855	1.2
55.05502	5.2
56.05005	1.2
57.07064	1.6
58.73833	0.7
59.74573	0.7
67.05493	5.2
69.03403	3.0
69.07053	6.8
70.06577	4.5
70.46728	1.4
70.47144	2.4
71.04964	1.7
72.08123	2.4
75.15910	0.8
78.04721	0.8
79.05473	3.2
81.03412	3.4
81.07047	19.0
81.72371	0.7
83.04962	2.7
83.08586	2.0
84.04480	1.8
84.08115	3.1
84.14062	0.8
85.02890	5.8
85.06539	1.5
86.06046	1.4
86.09679	3.5
87.00812	1.2
87.06354	0.8
89.03903	1.1
91.04955	0.8
91.05470	4.8
93.07023	7.8
95.04932	3.7
95.08598	12.0
97.02861	2.3
97.06503	1.5
99.08081	0.9
103.05425	1.0
104.06264	3.4
105.01819	1.6
105.03342	1.2
105.06992	4.2
107.04919	3.0
107.08585	6.6
108.66851	0.6
109.02847	2.4
109.06470	1.8
109.10136	7.3
111.04430	1.6
111.08068	2.7
116.10710	1.2
117.03355	1.7
117.07012	0.7
118.04173	1.1
119.04900	2.6
119.08563	4.2
120.08085	1.7
121.06532	1.1
121.10094	4.6
123.04448	1.0
123.08023	1.4
123.11682	6.5
125.09579	1.0
127.03911	4.6
127.11179	1.0
129.10219	1.9
131.04901	6.6
131.08473	1.1
132.05693	11.3
133.02812	2.2
133.10101	2.5
134.03604	1.5
135.04349	1.8
135.11671	5.1
137.05942	2.0
137.09583	0.9
137.13225	2.7
139.11121	1.5
142.08635	1.0
145.02844	2.1
145.04939	0.9
145.06441	0.8
145.10158	1.8
146.03574	1.6
147.04370	3.9
147.11649	2.9
149.05954	2.8
149.13225	2.9
151.03894	1.1
151.11168	1.2
153.05409	1.3
153.12723	1.9
159.04401	3.5
159.11621	2.6
160.05183	6.3
161.02292	1.1
161.13257	1.2
162.03067	1.8
163.03880	4.3
163.11166	1.7
163.14783	1.1
165.05420	3.5
165.12704	1.2
167.06999	4.3
173.02365	6.0
173.13234	1.1
174.03087	1.5
175.03912	6.6
177.05458	11.7
177.12675	1.1
177.16304	0.9
178.06258	1.1
179.03543	0.9
180.07794	1.1
181.04944	9.9
186.03070	4.4
187.03831	4.0
188.04639	13.4
189.16461	0.9
190.02547	1.0
191.03320	2.1
192.04158	3.5
193.04948	4.1
194.05655	3.8
197.08052	0.9
201.05399	3.8
205.04912	15.7
205.06627	1.7
206.05701	21.0
206.07559	1.3
207.06499	24.8
209.08107	1.4
215.03342	1.3
215.17935	2.1
221.04408	1.9
221.06241	1.0
225.07509	0.9
226.14378	1.3
227.14676	1.2
233.19028	1.5
236.04715	1.9
237.05478	1.2
237.07544	9.5
238.08282	15.5
239.09073	1.2
244.15405	7.0
245.04437	4.3
245.15755	3.6
249.05467	1.2
250.06279	1.5
251.07019	2.3
251.20064	3.9
253.04689	1.1
253.07039	2.3
264.04276	1.9
271.24094	1.5
277.25378	1.2
278.05646	2.1
279.06433	3.6
281.04330	1.7
289.25189	4.5
295.06171	1.0
295.26199	1.4
296.06885	1.8
297.07584	2.4
306.05127	1.4
307.05960	2.3
307.26196	7.8
309.03757	1.0
311.09088	2.2
323.05453	1.9
323.09164	1.6
324.06241	3.1
325.06995	1.9
325.27322	2.7
329.14810	3.5
332.32242	0.8
335.05594	1.2
339.08542	8.6
343.23035	1.0
349.07153	1.8
367.08063	100.0
368.08463	2.3
399.10672	29.1
399.15857	1.7
400.10962	0.8
450.19998	3.0
573.27094	1.1
591.18213	2.5
591.26849	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	590.2802
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12621	0.6
53.03931	1.2
55.01851	0.9
55.05490	2.8
57.03408	1.0
57.68248	0.6
67.05496	3.4
69.03420	4.1
69.07056	4.1
70.06596	5.1
70.06919	1.0
71.04964	0.9
71.08598	2.9
71.08944	0.6
71.63097	1.2
72.08139	1.3
73.02900	1.0
74.04379	0.6
74.67792	0.6
79.05463	2.1
81.03388	2.7
81.07040	4.8
83.04968	3.9
84.04485	1.4
84.08119	2.3
85.02886	4.9
86.06058	12.1
86.09692	3.5
87.00815	2.5
87.04423	0.7
87.12829	0.6
91.05432	1.9
93.07030	3.7
94.07327	0.9
95.04942	2.1
95.08585	3.9
96.08118	3.4
97.02863	2.1
98.06042	1.0
98.09667	8.9
99.04448	0.7
99.08067	2.0
101.05988	2.7
103.05469	0.8
105.01878	1.7
105.07018	1.9
107.08571	2.1
108.08145	0.7
108.08887	1.0
109.02839	3.5
109.10130	2.0
110.10454	0.9
111.04420	4.7
111.15182	0.7
112.07573	0.7
116.10712	17.5
119.04931	0.8
119.08546	2.1
120.08123	1.3
121.10103	2.9
122.09635	1.0
122.10439	1.1
123.08046	0.8
123.11658	1.8
127.03896	5.1
129.05470	1.2
129.10217	1.2
131.04916	2.6
131.08481	0.8
132.05672	2.8
133.10104	1.3
135.11642	0.9
135.12573	0.6
136.07573	1.0
137.09563	1.2
137.13220	0.9
139.11157	0.9
139.64185	0.6
140.07007	0.9
140.11531	0.8
142.08603	8.5
142.12262	1.7
143.10634	4.1
145.02817	1.0
145.04904	1.4
145.10165	0.9
147.04370	1.2
147.08215	0.7
147.62717	0.7
149.05995	0.9
155.06996	1.8
159.02899	1.2
160.05165	2.9
162.03108	0.8
162.12752	0.9
163.03896	1.4
164.10686	3.8
165.05389	1.2
167.06976	1.1
167.10774	1.0
173.02415	1.8
175.03922	1.5
177.05435	3.4
181.04919	3.0
182.15340	4.3
184.13376	1.3
186.03111	1.2
187.03812	1.2
188.04640	4.4
190.12312	3.4
192.04150	1.0
193.04959	1.0
194.05670	1.7
198.14844	2.3
205.04921	5.0
206.05753	5.8
207.06509	6.7
208.13315	5.2
209.08273	0.8
214.18089	3.6
226.14346	28.2
237.07542	2.8
238.08342	3.6
244.15410	100.0
245.04437	1.5
297.07703	0.9
324.21698	2.6
324.25812	0.9
327.13406	0.9
328.13538	1.0
339.08578	2.5
342.22702	21.2
367.08090	25.8
367.12701	1.3
399.10672	8.7
449.18637	1.0
466.19757	0.9
467.19968	4.0
474.19699	0.9
492.20761	12.4
528.28113	1.0
572.26257	2.0
590.27869	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	590.2799
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.8
55.01866	0.6
55.05501	2.9
59.04978	0.5
62.06080	0.5
63.08077	0.3
67.05487	0.7
69.03411	2.8
69.07047	1.1
70.06583	1.8
71.04974	0.6
71.08630	2.4
71.13413	0.9
72.08147	1.6
73.02901	0.8
73.59837	0.3
77.22083	0.4
79.05494	0.8
81.03407	2.5
81.07031	1.5
81.34777	0.4
83.04958	2.6
84.08127	1.3
85.02889	3.7
86.06051	12.3
86.09708	0.8
87.00809	1.2
87.04450	0.8
91.05494	0.6
93.06997	1.0
95.04921	0.4
95.08576	1.0
96.08107	3.2
97.02866	2.1
98.06077	0.4
98.09681	7.8
99.04445	1.6
99.08070	2.1
100.11243	0.6
101.06000	2.8
104.07069	1.2
105.01853	0.8
107.08569	0.5
108.08114	0.5
109.02870	2.9
109.10146	0.8
110.09637	0.4
111.04430	4.1
114.09128	0.6
114.74033	0.3
116.10713	18.8
119.08535	1.3
120.08033	0.6
121.08853	0.8
121.10108	0.7
122.09637	0.9
123.08002	0.4
124.07552	1.1
127.03883	3.6
129.01820	0.3
129.05440	1.6
129.10185	0.4
131.59050	0.3
134.09660	0.8
135.10338	0.4
137.09572	0.6
142.08600	8.4
142.12233	1.0
143.10629	3.6
145.04956	1.1
145.10072	0.6
146.09538	0.6
147.06461	0.5
155.06984	1.3
159.02756	0.5
162.12773	0.5
164.10678	4.6
173.08093	1.0
180.13748	0.9
182.15379	4.1
184.13274	0.8
190.12231	3.6
196.13335	0.3
198.14890	2.2
208.13290	6.3
213.03986	0.4
214.17970	4.6
226.14343	29.3
231.04967	0.6
244.15402	100.0
245.15810	0.7
256.79059	0.3
324.21579	2.5
329.12097	0.6
342.22696	19.0
347.13370	0.4
448.21683	1.0
462.22989	0.3
474.19302	1.6
492.20682	14.6
572.26221	1.3
590.27698	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	589.2997
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	1.5
55.01856	0.8
55.05505	3.1
57.03409	0.9
57.07055	1.8
65.03918	0.9
67.05498	7.9
68.99771	1.3
69.03421	3.8
69.07054	4.3
69.55681	0.3
70.66508	1.0
70.66879	0.9
71.04975	1.0
71.08580	0.4
75.99535	0.4
79.05054	0.8
79.05482	9.2
79.05937	0.5
81.03403	7.6
81.07047	9.0
83.04952	1.4
83.08591	0.9
85.02889	2.3
85.06524	0.6
85.10163	0.7
87.04458	0.8
89.05993	1.8
90.06300	0.5
91.05463	5.8
93.07029	8.9
95.04916	2.1
95.08602	5.1
97.02861	3.2
97.06495	0.6
99.04453	0.6
99.08060	0.7
103.05441	1.0
105.07002	4.2
107.04955	2.2
107.08578	4.4
109.02850	2.0
109.06514	0.7
109.10139	2.9
111.04420	1.4
115.05453	0.4
117.07007	2.3
119.08591	3.5
121.06507	3.2
121.10128	5.8
123.04411	5.1
123.08015	0.7
123.11652	1.1
125.05994	2.4
127.03870	1.2
129.06990	1.3
131.04819	0.5
131.08549	3.5
133.08575	0.6
133.10109	3.7
135.08047	0.7
135.11685	3.5
137.09633	0.8
143.08565	1.2
145.10106	2.9
147.08009	0.5
147.11682	2.3
149.05960	22.0
149.09541	1.0
149.13217	2.0
151.07486	0.8
151.11194	0.5
155.08470	1.0
157.10103	0.9
159.11708	2.5
161.13193	0.8
165.41725	0.4
167.07018	8.1
171.11639	1.3
173.09593	0.6
173.13246	1.1
175.11110	0.8
175.14719	0.4
177.05444	36.0
177.11272	0.5
177.12701	0.6
183.07928	0.5
183.11598	0.8
185.13269	1.0
187.11206	0.5
187.14764	0.9
195.06500	100.0
196.06888	0.8
197.07251	0.7
199.11081	0.5
207.06451	0.9
213.16386	0.9
214.44664	0.4
215.17886	2.6
219.06470	0.5
227.17918	0.6
231.17404	0.9
233.18930	2.6
237.07495	0.9
239.14343	0.5
247.20323	0.5
249.18544	0.9
273.18362	0.5
275.20026	1.2
285.07568	0.5
287.19897	0.7
299.20084	0.5
323.19998	0.6
341.21133	1.3
359.22195	2.1
377.23126	2.2
395.24335	0.6
412.11850	0.4
448.41382	1.4
464.09454	1.6
589.22321	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.2063
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	0.5
59.64828	0.3
68.99752	1.1
70.05302	2.0
70.05626	0.3
77.03915	0.5
79.05471	0.5
91.05466	3.8
95.04930	1.1
102.04668	0.6
103.05450	45.4
104.05776	3.5
105.06132	0.4
107.04929	0.7
115.05416	0.7
116.06220	0.7
117.03354	0.5
117.07014	0.4
119.04894	0.5
121.02859	0.6
121.06445	0.4
123.31390	0.3
128.06213	4.8
129.06985	8.3
131.04906	100.0
131.08546	2.2
132.05229	7.2
133.05547	1.2
137.05956	0.9
141.06967	0.8
144.05692	1.4
145.02864	0.4
145.06482	0.9
147.08022	2.3
149.05949	0.4
155.06039	0.4
156.05707	0.5
157.06433	1.2
157.07607	1.5
159.08028	8.2
161.05956	0.9
163.03865	2.7
163.07518	26.9
164.07841	1.8
165.08138	0.5
172.05173	4.3
173.06010	1.1
177.05435	1.3
185.05910	1.0
187.07510	33.1
188.07867	0.6
189.09090	0.8
195.06570	1.2
200.04662	8.9
205.04959	1.1
205.08572	1.6
215.06989	62.6
216.07350	0.9
223.57222	0.4
233.08047	31.9
390.35635	0.4
409.12723	0.7
427.13809	39.6
428.14557	0.6
504.80127	0.4
589.20612	27.4
590.20813	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.3652
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	0.3
56.05021	0.6
58.06607	0.4
59.07382	0.2
60.08154	6.1
67.05508	0.2
69.07040	0.2
70.06579	0.3
71.07360	2.3
71.32963	0.3
81.07054	0.2
86.09692	28.0
90.79809	0.2
95.08665	0.2
98.98438	2.5
103.05463	0.5
104.10721	3.1
107.08575	0.2
119.08567	0.2
123.08024	0.2
124.99986	18.5
127.72691	0.2
131.04900	0.5
132.05263	0.2
133.10130	0.3
143.01022	0.3
179.14302	0.3
184.07310	100.0
185.07625	0.5
216.04114	1.9
217.04509	0.9
231.06497	1.6
232.06828	0.8
425.12357	0.3
426.12607	0.7
570.35748	1.2
582.87604	0.2
588.20819	1.0
588.36536	6.5
589.19446	0.2
605.18195	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.2058
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60948	0.3
51.02361	0.8
53.03917	0.5
55.19492	0.3
57.58629	0.3
63.23351	0.3
67.05481	0.3
68.99764	0.6
77.03926	0.4
79.05487	0.5
91.05459	2.8
95.04947	1.5
103.05449	47.8
104.05779	4.4
105.06125	0.4
105.06982	0.4
115.05444	0.8
116.06229	0.6
117.03381	0.3
128.06204	5.5
129.06985	9.7
129.81200	0.4
131.04904	100.0
131.08501	2.1
132.05240	9.6
133.05518	1.7
133.06465	0.3
137.05922	0.5
141.06972	0.5
144.05672	1.2
145.02786	0.7
145.06450	1.3
147.07993	2.9
155.06036	0.6
156.05699	0.4
157.06439	1.4
157.07597	1.4
159.08032	8.2
161.05980	0.8
163.03856	2.1
163.07510	22.8
164.07884	1.7
165.08064	0.4
171.04434	0.4
172.05186	5.6
173.05927	1.2
177.05437	1.6
184.07286	0.6
185.05937	0.9
187.07513	36.8
188.07880	0.8
195.06551	1.2
200.04669	8.5
205.04924	1.4
205.08560	1.6
215.06989	63.4
216.07343	0.8
231.06549	0.5
231.74750	0.4
233.08043	34.5
234.08405	0.8
351.41602	0.3
363.07156	0.4
409.12201	0.6
426.12979	0.4
427.13806	33.7
428.14182	1.3
531.28961	0.4
542.77789	0.4
589.20599	28.4
590.20935	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.3232
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.2
55.05502	0.3
56.05025	1.5
67.05492	0.3
69.03429	0.3
69.07059	6.0
70.06580	2.5
71.27441	0.2
71.62840	0.2
72.08155	0.6
74.06068	3.0
81.03419	0.4
81.07034	0.3
82.06577	0.3
84.04487	1.1
84.08136	0.6
85.02905	0.5
86.09693	100.0
87.10030	0.5
89.07143	0.2
91.05450	0.3
93.07020	0.4
97.02869	0.2
97.06520	0.3
98.06020	0.9
99.04449	0.2
102.05516	0.6
105.06985	0.3
107.08617	0.2
108.95316	0.2
109.02865	0.6
114.09137	0.2
116.07076	0.6
117.07069	0.2
117.75043	0.2
120.08080	0.4
122.58974	0.2
123.07920	0.2
126.05495	6.7
127.03880	0.4
129.10211	0.4
130.04996	0.8
130.32669	0.2
134.02740	0.2
137.05942	1.6
140.07050	0.4
144.06577	0.7
148.06030	2.5
153.06558	1.8
157.13341	3.9
161.06017	0.2
162.03281	0.2
169.09753	0.8
185.12875	0.7
187.07484	0.3
197.09187	15.6
198.09544	0.3
199.18047	1.0
199.87001	0.2
215.10246	5.3
219.07835	0.4
223.04906	0.2
227.17538	2.0
228.51314	0.2
238.15346	0.4
243.13474	0.3
246.06615	0.4
247.07193	0.5
251.10796	0.4
255.11162	0.2
261.09055	0.5
261.14413	8.5
262.09509	0.6
275.06537	0.3
276.07568	0.3
277.08514	0.3
278.08755	0.4
279.10059	0.4
282.18069	0.5
282.89148	0.2
287.13861	0.3
289.08566	0.4
290.09006	0.5
291.09903	0.4
295.09357	0.3
298.21222	0.4
300.19138	13.8
301.19418	0.5
303.13501	0.3
306.08691	0.3
307.09280	0.3
310.11530	0.6
310.17493	0.5
311.12683	0.4
313.11783	0.3
321.11154	1.1
322.11533	2.1
323.12515	0.4
328.18619	32.9
329.18967	0.7
372.17441	0.2
374.22806	1.0
423.25720	0.2
441.27029	3.7
445.26486	0.2
448.18991	0.2
588.26715	0.5
589.25354	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.4679
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01843	0.6
55.05499	6.5
57.03428	1.2
57.07062	2.5
59.95127	0.6
67.05499	15.6
68.90127	0.6
69.07056	7.7
71.05006	1.1
71.08611	2.0
71.63496	1.0
79.05486	7.3
81.07050	19.1
83.08608	5.0
85.06521	1.6
85.10157	0.7
91.05029	0.7
91.05478	7.3
93.07035	10.4
95.04965	1.3
95.08038	1.1
95.08596	15.6
97.06518	0.9
97.10139	2.7
99.08029	1.5
105.07018	7.9
107.08566	7.3
109.10139	7.3
111.11699	1.1
115.05444	1.2
116.47075	0.6
117.05759	0.8
117.06984	3.8
118.06530	21.1
119.08567	8.1
121.10130	7.1
123.11687	2.6
126.94226	0.6
127.07391	0.6
129.06995	1.7
131.08566	4.8
132.08083	3.9
133.09007	1.1
133.10106	5.9
135.11716	5.0
137.13243	1.1
142.06511	1.7
143.07300	1.7
143.08478	1.0
144.08072	9.8
145.10104	5.2
146.05988	32.7
146.09616	6.2
147.06294	0.8
147.11642	4.4
149.09506	0.7
149.13237	2.8
151.14816	0.7
152.06689	0.7
155.08429	0.7
157.10153	1.9
159.11630	3.7
160.11180	1.2
161.13261	3.4
163.11258	0.8
163.14822	1.0
169.10123	0.8
170.05991	1.8
171.11691	1.2
173.13245	2.6
175.14824	2.2
179.14346	0.9
185.13234	1.5
187.14775	1.1
188.07053	15.6
189.16350	1.0
199.14774	1.2
201.16412	1.1
203.17937	1.1
205.19582	0.9
210.61618	0.8
215.18015	1.9
233.19075	1.5
240.06721	0.7
243.20930	0.8
261.22134	2.2
267.21133	0.7
274.25256	0.9
274.42004	0.7
291.23434	0.6
307.22452	0.7
309.24255	2.5
311.25897	0.9
333.24493	0.9
335.25812	2.5
337.27243	1.2
342.61560	0.8
343.30167	0.7
400.39346	80.1
401.39526	2.2
440.38565	1.3
442.41028	0.7
458.39862	2.5
489.39487	0.9
495.42004	2.2
501.48514	1.3
569.45599	5.8
587.45880	100.0
588.45905	4.4
614.09015	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.1903
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01590	0.2
51.02371	0.3
53.03929	0.4
63.02348	0.2
67.36404	0.1
69.70516	0.8
77.03913	0.4
80.05078	0.1
81.07065	0.2
91.05437	0.2
95.04951	1.2
98.21465	0.2
101.67764	0.1
101.85374	0.1
102.04642	0.3
103.05445	47.0
104.05770	0.5
105.04475	0.3
105.07034	0.2
107.04940	0.2
111.61026	0.1
131.04901	100.0
132.05219	1.5
149.02267	0.2
161.05913	0.2
163.07507	23.3
164.07843	0.4
177.05386	0.3
216.04137	0.9
224.04753	0.2
229.23903	0.1
231.06442	2.0
239.06969	0.5
268.03452	0.2
275.19800	0.1
276.97195	0.1
283.05951	0.9
305.07877	0.2
321.07413	0.4
333.07623	0.2
346.08136	0.3
347.08957	0.3
348.09796	0.2
361.10590	0.8
363.12265	0.6
379.11920	0.2
389.10229	0.2
407.11169	3.3
425.12265	3.3
426.72168	0.1
587.18616	0.2
587.29565	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.4657
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	1.2
55.01869	0.7
55.05502	15.5
57.03424	5.3
57.07068	4.8
62.60168	0.6
65.03918	1.7
67.05494	36.8
69.07054	19.1
70.99841	1.6
71.04980	1.9
71.08611	1.9
79.05477	21.4
81.07042	40.6
83.04965	1.2
83.08611	11.1
85.06516	1.6
85.10192	0.6
91.05463	16.5
93.07030	28.7
95.04964	2.1
95.08588	31.2
97.06515	3.2
97.10158	6.1
99.08054	2.1
100.61185	0.6
105.06287	0.9
105.07009	16.7
107.08573	18.4
109.06505	1.3
109.10136	15.8
111.08060	1.4
111.11691	1.9
113.09604	0.8
117.06993	4.9
119.08560	16.8
121.10129	17.0
123.08029	1.0
123.11677	7.4
125.09648	0.7
128.06232	0.7
129.05403	0.7
129.07001	2.8
131.08546	11.4
133.10114	15.4
135.08055	1.0
135.11674	12.3
137.09619	1.2
137.13194	3.4
141.06979	0.9
143.08519	3.0
145.10094	10.3
147.11674	12.6
149.09610	1.2
149.13228	6.7
151.14816	1.6
155.08549	1.2
157.10097	3.7
159.11656	7.4
161.13232	7.9
163.11168	1.6
163.14786	3.7
165.12761	1.0
169.10175	1.4
171.11668	4.5
173.13252	6.2
175.14815	4.5
177.16336	1.9
179.14270	0.7
183.11678	1.0
185.11671	1.0
185.13115	3.1
187.14769	4.4
189.16364	1.8
191.17987	1.1
197.13239	1.4
199.14819	2.6
201.16371	1.5
203.14336	0.6
203.17932	2.3
205.19568	1.8
211.14903	0.8
213.16373	2.6
215.17926	3.4
217.15921	0.9
217.19501	2.2
219.17380	1.0
219.21075	1.3
227.18010	1.0
229.19601	0.6
231.17506	2.1
231.20972	1.3
233.18988	4.6
235.20544	0.9
241.19460	1.7
243.21115	1.7
245.22778	1.0
247.20515	1.0
259.20563	3.2
259.24252	0.6
261.22113	4.6
263.23676	0.9
269.22784	0.6
273.22101	0.9
273.25745	0.9
275.23782	0.8
277.21640	1.2
279.23080	0.8
287.23669	1.1
298.98782	0.6
307.22638	3.0
309.24142	7.3
311.25720	3.3
315.26825	0.9
317.24701	1.3
329.28308	1.1
333.24261	2.0
335.25644	6.1
337.27524	3.9
339.29340	0.8
383.33173	1.1
400.39014	0.8
447.35440	0.7
475.38199	0.9
477.41010	1.3
489.39706	1.0
495.41971	4.7
513.42810	2.4
517.38776	1.0
569.45569	12.2
583.91748	0.7
587.46552	100.0
588.47510	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	587.1902
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02364	0.3
53.03923	0.5
54.29804	0.3
54.38263	0.2
55.05491	0.3
67.05476	0.3
68.99763	0.9
69.34538	2.5
70.29365	0.2
77.03894	0.3
79.05493	0.4
81.07033	0.3
91.05476	1.8
95.04963	1.3
96.07902	0.3
103.05448	40.5
104.05771	0.6
105.04468	0.3
117.03357	0.5
119.04828	0.3
121.02898	0.4
129.06969	0.3
131.04903	90.3
132.05228	1.4
135.04393	0.4
137.06009	0.3
139.11000	0.3
145.02846	1.2
159.08070	0.3
163.03865	2.0
163.07513	20.7
163.28358	0.3
173.02327	0.5
174.03130	2.2
175.07568	0.6
177.05443	1.4
181.05112	0.3
185.05919	0.7
187.03889	1.6
188.04578	0.5
195.06522	1.1
201.01817	0.9
201.05368	0.4
203.06982	1.3
213.05518	0.8
216.04138	100.0
217.04474	2.1
231.06477	83.8
232.06808	1.6
245.08116	0.6
425.12234	25.3
426.12457	0.8
587.19019	19.3
588.19482	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.1898
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01598	0.2
51.02359	0.3
53.03933	0.6
62.81658	0.2
70.82460	0.7
77.03924	0.5
77.08500	0.2
95.04914	1.1
102.04626	0.2
103.05447	48.7
104.05773	0.8
110.78220	0.2
111.86458	0.2
117.03321	0.3
131.04903	100.0
132.05229	1.7
135.08136	0.2
145.02821	0.3
163.07515	19.6
164.07893	0.5
166.53046	0.2
177.05441	0.6
216.04144	1.1
231.06499	2.6
239.06862	0.5
266.30972	0.2
283.05899	1.2
288.07758	0.4
303.13892	0.2
320.10303	0.2
321.07419	0.4
331.09589	0.3
346.08524	0.4
347.09128	0.4
348.09964	0.3
361.10648	1.1
363.12299	0.6
366.22858	0.2
407.11096	3.8
425.12170	3.6
587.18872	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.1904
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02361	0.4
53.03930	0.2
59.55390	0.2
65.03932	0.3
68.99779	1.5
69.07042	0.2
70.06557	0.4
70.14067	0.9
77.03915	0.6
79.05470	0.8
85.02879	0.4
89.03905	0.4
91.05470	3.2
95.04945	1.5
102.04662	0.3
103.05452	37.6
104.05789	0.4
105.07013	0.7
107.04932	0.5
115.05422	0.4
117.03362	1.0
119.04890	0.5
121.02859	0.8
121.06501	0.2
125.05941	0.4
128.06198	0.3
129.06995	0.6
131.04906	85.5
132.05238	1.1
135.04420	0.6
137.05966	1.3
145.02818	1.4
147.04387	0.3
149.02235	0.2
149.05959	0.4
153.05460	0.5
159.08014	0.4
161.05960	0.6
163.03870	2.9
163.07513	23.2
164.07889	0.3
173.02353	0.5
174.03081	2.4
175.07567	0.4
177.05423	1.2
185.06009	0.3
187.03822	1.2
188.04594	0.4
195.06546	1.5
201.01807	0.9
201.05417	0.5
203.07010	0.8
213.05406	0.5
216.04143	100.0
217.04430	1.9
231.06483	86.2
232.06807	1.5
245.08176	0.4
254.03821	0.2
274.15729	0.2
395.11215	0.8
425.12259	27.9
426.12448	0.6
586.16394	0.2
587.19073	17.6
588.19287	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.1752
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.2
54.17744	0.5
55.01851	1.4
55.05497	1.0
57.03421	1.3
59.40160	0.5
61.02885	0.4
67.05470	1.5
69.03414	5.1
69.07055	1.1
69.63192	3.9
70.06581	5.0
71.04966	1.2
72.08143	1.8
73.02908	0.9
73.54012	0.5
79.05468	1.2
81.03403	3.7
81.07040	2.8
84.04482	1.2
84.08138	2.4
84.08601	0.5
85.02425	0.4
85.02890	9.7
86.09688	3.8
87.00804	2.8
87.10524	0.5
91.05451	1.5
93.07022	2.8
95.04920	1.0
95.08575	2.2
97.02865	3.0
97.06554	0.8
99.04441	2.1
105.01844	2.8
105.06999	1.5
107.04914	0.6
107.08566	1.8
109.02860	5.2
109.06480	0.6
109.10118	2.1
117.01788	0.6
119.08559	1.4
120.08076	1.8
121.10140	2.9
123.11658	2.2
127.03897	7.4
129.01817	0.6
129.10237	1.2
133.10124	0.8
135.11658	0.6
137.05917	3.3
137.09573	0.6
137.13208	0.7
139.11162	0.7
144.05635	0.7
145.04941	2.0
147.02831	0.5
147.11641	1.0
155.04916	0.9
159.02829	2.5
159.09128	1.3
159.11697	0.5
161.05948	0.7
165.12703	0.7
167.10733	0.6
179.08615	0.6
187.07417	1.3
189.06979	2.0
190.07750	2.3
201.07037	0.8
202.07784	1.3
205.06424	1.0
206.07307	0.8
207.08014	2.1
215.08670	0.9
217.06447	3.1
218.07208	8.9
219.07941	2.1
229.06435	8.7
230.07248	2.9
231.05016	1.7
231.07977	1.1
232.08797	0.9
233.09477	2.7
234.06676	5.9
235.07498	6.1
243.08040	0.7
245.05994	2.2
246.06726	16.1
247.07489	6.2
249.09062	6.3
250.09784	2.6
251.06944	2.3
257.05936	5.4
258.06720	3.0
259.07437	2.4
260.08191	1.2
261.09048	29.9
262.06229	3.4
262.09705	1.7
263.07047	7.5
263.10037	0.8
264.07718	0.9
265.08630	2.0
266.09259	1.2
271.07486	0.6
272.08102	0.6
273.05396	1.8
273.08868	0.8
274.06186	12.0
275.06982	5.9
276.07776	0.7
277.08551	16.0
278.09332	10.6
279.06485	2.1
279.09912	1.1
280.41281	0.5
285.12045	0.6
288.07800	1.1
289.08536	30.3
290.09308	10.2
291.06458	5.0
291.09811	1.0
292.07300	0.8
293.08664	0.8
293.11758	1.9
294.08847	7.5
303.23096	1.9
305.08047	1.4
306.08810	17.6
307.09525	3.1
308.10181	0.7
309.11145	29.9
311.12796	1.2
321.11151	100.0
321.24060	1.9
322.11417	1.4
339.12228	4.9
341.13342	0.6
351.12125	1.3
359.13480	0.7
363.12262	0.7
365.14081	0.5
495.16452	0.8
504.69946	0.7
513.17175	0.7
557.16400	1.0
587.25201	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.4518
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	2.8
55.95654	0.6
55.99271	0.5
57.07067	35.4
59.04999	0.8
67.05488	1.1
68.67606	0.5
69.03406	0.6
69.07062	3.0
69.96487	3.2
71.08622	24.0
72.05454	0.5
73.06550	8.8
75.13939	0.5
75.98150	0.5
79.05499	0.9
81.07041	1.2
83.08608	2.3
85.10172	19.6
87.03963	0.9
87.04456	7.0
88.12427	0.5
89.06019	100.0
91.05461	1.1
91.07584	1.0
93.07034	1.5
95.04931	0.5
95.08598	1.4
97.10147	3.6
99.11713	4.0
105.07031	2.3
107.07081	2.9
107.08550	1.3
109.06503	0.8
109.10133	0.9
111.11695	1.1
113.13252	1.4
117.06978	0.7
117.09116	6.8
119.08573	1.7
120.08901	0.7
121.10115	1.4
129.06976	0.5
130.08646	3.6
131.07027	1.8
131.08565	1.2
133.08586	55.4
134.10477	0.7
135.10178	1.5
145.10117	1.3
155.17900	4.4
157.10100	0.8
159.11655	1.0
161.11705	1.8
168.43324	0.5
169.09982	0.6
171.11671	0.6
175.09682	1.8
177.11194	24.0
179.14417	0.6
197.13469	0.5
199.20541	5.3
221.13808	5.8
223.15126	0.5
239.14902	1.7
240.23215	1.7
243.23155	13.6
243.25461	0.9
265.16397	1.3
276.67065	0.5
283.17490	2.2
287.25729	8.9
309.55338	0.5
327.20120	1.8
371.22775	1.5
393.31631	0.7
415.25314	6.3
481.37436	1.0
513.18079	0.6
525.39471	1.2
569.42548	16.8
586.45099	6.0
587.21326	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.2641
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	0.1
56.05020	0.1
68.05016	0.7
69.03409	0.1
69.07066	0.2
70.06581	100.0
71.06908	0.7
71.32974	0.2
72.08152	0.4
74.06068	0.1
79.05501	0.2
81.03401	0.1
81.07046	0.2
83.95095	0.1
84.04487	0.7
84.08114	0.6
85.02908	0.2
86.09693	2.0
87.10018	0.1
88.42715	0.1
91.05484	0.1
93.07033	0.1
95.04937	0.1
95.08616	0.2
97.02829	0.1
97.06528	0.1
98.06050	0.1
101.07130	0.1
102.05552	0.1
103.05489	0.1
104.05330	0.2
107.04934	1.7
107.08585	0.1
109.02854	0.2
109.10148	0.2
112.08731	0.1
116.07079	0.4
120.08103	0.2
129.10242	0.3
130.04964	0.5
132.10208	0.1
136.07520	0.2
145.04898	0.1
147.07649	0.6
171.11221	0.1
183.14896	0.2
189.68552	0.1
234.14908	0.2
239.15082	0.1
260.16086	0.2
317.10269	0.1
330.20334	0.2
331.20551	0.4
335.11227	0.1
396.20126	2.6
436.75229	0.2
496.85361	0.1
568.28748	0.1
586.26361	28.0
587.26697	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.45
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.1
55.01871	1.9
55.05506	13.0
57.03421	4.9
57.07061	3.8
59.50431	1.5
67.05489	41.2
69.07055	15.6
69.57230	12.7
74.36628	1.5
79.05477	26.4
81.07035	39.1
83.08604	9.0
87.04447	2.3
89.06026	2.9
91.05463	21.2
93.07031	31.1
94.07382	1.6
95.04963	4.9
95.08592	32.4
96.08922	1.9
97.06536	1.9
97.10172	5.0
99.08089	1.9
105.07018	20.7
107.08576	16.8
109.06541	3.8
109.10139	21.6
111.08118	2.2
111.11715	2.1
117.07005	12.3
119.08557	21.8
121.10116	17.9
123.11646	8.3
129.07005	6.5
131.08551	16.9
133.10106	22.4
135.11679	15.5
137.13300	2.2
142.07739	2.2
143.08554	6.4
145.10091	18.6
147.11655	12.7
149.09645	2.4
149.13271	5.6
155.08508	3.2
157.10158	8.8
159.11662	14.7
161.13211	8.3
163.14799	3.8
165.09122	2.7
169.10098	2.5
171.11658	8.4
173.13176	11.1
175.14828	4.9
177.16306	1.9
183.11618	1.8
185.13303	5.5
187.14816	5.6
189.16382	3.6
199.14871	5.1
201.16455	3.6
203.17995	2.9
211.14836	2.7
213.16411	7.1
215.18040	4.4
221.15285	2.8
222.15620	2.1
225.16393	2.1
225.32916	1.5
227.18085	2.6
229.19560	2.4
231.17459	3.7
233.19128	2.1
241.19531	2.8
259.20715	2.3
261.22229	3.0
273.22327	1.8
285.22250	1.7
300.55405	1.6
307.22714	4.8
309.24234	5.2
333.24396	4.2
335.25482	3.3
337.27420	2.9
400.38998	1.6
402.94504	1.6
431.42404	1.6
475.39990	2.7
493.40378	6.5
505.36713	3.3
511.41190	3.6
567.43823	13.5
581.85730	1.6
585.45007	100.0
586.45258	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	585.4502
Annotation	Hericene C
Peak:m/z	Relative Intensity
50.67029	0.6
53.03934	2.5
53.85633	0.7
55.01859	2.0
55.05503	13.1
56.24251	0.8
57.03425	4.7
57.07069	4.0
59.04996	0.7
67.05492	36.4
68.05828	0.8
69.06704	1.3
69.07057	14.5
71.04981	1.7
71.08623	0.8
71.24380	1.2
71.24710	1.1
79.05477	21.9
81.03442	0.7
81.07043	42.4
83.04957	1.9
83.08601	9.0
85.06532	2.1
91.05469	17.5
92.05817	0.8
93.07027	31.4
95.04950	2.9
95.08589	31.8
97.06509	1.9
97.10151	5.4
97.46162	0.7
99.08076	2.3
105.07012	17.9
107.08573	17.1
109.06524	1.0
109.10128	18.5
110.18723	0.6
111.08064	2.0
115.66666	0.8
117.07014	9.1
119.08566	17.2
121.10117	15.2
123.08102	0.9
123.11697	8.2
128.06154	0.8
129.05467	0.8
129.06978	4.7
131.08540	13.7
133.10107	17.9
135.08093	0.8
135.11671	11.7
137.13246	2.4
141.07024	0.8
142.07755	1.5
143.08521	5.1
145.10086	13.9
147.11655	12.9
149.13243	5.9
151.11223	1.2
151.14819	1.3
155.08553	1.8
157.10114	7.6
159.11655	10.7
161.13223	7.1
163.11145	1.0
163.14774	2.0
167.08580	1.0
169.10101	2.3
171.11656	6.3
173.13235	9.5
175.14760	5.2
177.16373	1.6
181.10065	1.0
183.11726	2.0
185.13252	6.0
187.14799	6.5
189.16399	3.3
197.13272	2.3
199.14830	3.7
201.16324	3.6
203.17929	3.1
209.13156	1.3
211.14778	2.4
213.14619	0.9
213.16469	4.9
215.17960	4.9
217.19548	2.0
219.17471	0.9
223.14854	1.2
225.16414	1.4
227.18028	1.6
229.19498	1.2
231.17415	4.9
231.21135	1.2
233.19006	2.8
241.19563	2.1
243.20990	0.9
245.18958	1.1
257.19028	0.9
259.20599	2.8
261.22131	2.5
275.20319	1.0
293.21219	0.9
305.21213	1.2
307.22702	5.2
309.24326	4.0
313.25110	0.9
315.23166	0.8
317.25092	0.9
331.26215	0.8
333.24234	2.0
335.25824	5.4
337.27444	3.1
355.30176	0.8
366.05118	0.8
382.82278	0.7
423.32388	0.8
461.32742	1.3
469.33267	0.8
475.39389	1.3
487.38013	0.9
493.40167	5.0
511.41238	2.3
515.37244	1.6
542.96832	0.8
543.41125	0.8
567.44000	11.2
585.44971	100.0
586.45239	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.4505
Annotation	Hericene C
Peak:m/z	Relative Intensity
53.03940	1.7
55.05501	13.0
57.03427	3.7
57.07066	2.4
59.04993	0.7
67.05495	36.2
69.07058	13.8
71.04975	1.7
71.06458	2.2
79.05484	20.8
79.91295	0.8
81.07045	40.7
81.08901	0.6
82.82106	0.7
83.04951	1.6
83.08598	8.2
85.06529	1.7
91.05468	17.8
93.07030	26.5
94.64125	0.7
95.04963	2.4
95.08593	31.9
97.06527	2.3
97.10151	3.2
99.08089	2.2
105.07012	19.6
107.08575	17.9
109.06512	0.9
109.10146	15.1
111.08115	1.1
117.07014	8.0
119.08569	19.6
121.10123	16.5
123.08081	1.7
123.11719	6.0
125.09682	1.4
129.06952	4.2
131.08536	14.7
133.10115	17.5
133.11069	1.3
135.11687	9.1
137.09639	1.4
137.13240	2.5
141.06995	1.1
143.08505	4.6
145.10092	13.8
147.11662	13.9
149.09612	1.3
149.13226	6.6
151.14832	1.6
155.08557	2.3
157.10106	5.2
159.11685	10.6
161.13239	8.2
163.14804	2.0
164.34018	0.8
169.10156	2.3
170.73517	0.7
171.11667	6.3
173.13226	9.3
175.14754	4.0
177.16505	0.7
179.41246	0.9
181.09985	0.8
183.11665	1.4
185.13246	6.0
187.14796	5.4
189.16385	2.8
195.11665	0.9
197.13263	1.6
199.14861	3.7
201.16325	3.9
203.17993	2.2
205.19429	0.9
209.13266	0.9
211.14903	1.2
213.16367	4.5
215.17941	4.2
217.15897	0.8
217.19548	2.6
223.14810	1.0
225.16473	1.4
229.19572	1.0
231.17332	4.1
231.21109	0.9
233.19026	3.5
235.20621	0.9
237.16486	1.1
239.17932	1.3
241.19624	1.6
243.21140	1.1
245.18860	1.6
247.20689	0.8
257.19064	0.9
259.20642	2.8
261.22198	4.1
285.22083	0.9
289.21725	1.2
297.22058	0.8
305.20996	1.7
307.22705	7.5
309.24347	3.3
313.25284	1.1
317.24542	0.8
319.22617	1.1
333.24155	4.0
335.25742	6.1
337.27380	2.5
409.30951	0.8
461.32297	1.1
475.33609	1.5
475.39600	1.5
489.35703	1.6
493.40561	6.3
511.41406	2.5
515.37140	1.5
567.44049	11.5
585.45044	100.0
586.45410	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	585.4504
Annotation	Hericene C
Peak:m/z	Relative Intensity
53.03928	1.7
54.91149	0.6
55.01862	1.3
55.05260	0.8
55.05504	12.6
57.03433	4.5
57.07051	2.5
67.05498	30.6
69.06719	0.8
69.07063	11.5
69.49065	3.4
69.49493	1.7
71.04984	1.3
71.08604	1.0
79.05483	20.8
81.07048	35.5
83.04946	0.8
83.08602	6.6
85.06545	1.7
91.05470	16.7
93.07034	25.2
95.04951	2.1
95.08592	28.2
97.06517	2.5
97.10159	4.2
99.08093	1.9
105.07016	17.6
106.76511	0.6
107.08583	17.1
109.06522	1.1
109.10140	15.1
111.08050	1.4
111.11687	0.7
113.09583	1.0
116.06200	0.6
117.07018	8.8
119.08562	16.1
121.06514	0.5
121.10131	15.5
123.08043	1.3
123.11687	7.3
125.09640	0.8
128.06238	0.7
128.45592	0.5
129.07002	2.9
131.08557	14.4
133.10112	15.5
135.08003	1.0
135.11665	11.6
137.09636	0.9
137.13235	2.5
137.74783	0.6
139.11197	1.0
141.07053	1.1
142.07745	0.6
143.08542	4.9
145.10109	12.2
147.11678	12.1
149.09605	1.0
149.13234	5.0
151.11226	0.8
151.14821	1.0
155.08559	1.5
157.10097	5.1
159.11673	9.6
161.13251	6.9
163.11250	1.1
163.14827	3.5
165.16409	0.9
169.10100	2.0
170.58577	0.6
171.11665	6.9
173.09431	0.6
173.13237	8.0
175.11203	0.9
175.14799	3.8
177.12717	1.0
177.16377	2.2
183.11739	2.3
185.13161	4.2
187.14766	5.7
189.16380	2.3
191.14252	1.0
191.17937	1.0
197.13290	1.6
199.14777	3.0
201.16383	3.5
203.14255	0.6
203.18013	2.7
205.15932	0.7
205.19450	0.9
209.13327	0.7
211.14801	1.5
213.16423	3.7
215.17906	5.5
217.19536	2.3
219.17564	0.7
223.14824	0.6
225.16281	1.0
227.18013	1.5
229.19463	1.4
231.17485	4.2
231.20949	0.9
233.19011	4.2
235.20491	0.8
241.19492	2.2
243.21028	1.0
245.18954	0.8
247.20601	1.0
249.18643	0.9
257.18954	0.8
259.20508	4.1
261.22107	3.9
267.21231	0.6
269.22775	0.8
271.20566	0.8
281.21085	0.8
287.23737	0.8
295.22852	0.9
297.21979	0.7
299.23584	1.3
301.25333	0.7
305.21133	1.5
307.22595	6.9
309.24234	4.6
311.23538	0.7
313.25372	1.6
333.24246	2.2
335.25684	6.5
337.27536	3.0
371.29114	0.6
395.33279	0.7
423.32495	0.7
445.33493	0.7
461.32834	1.0
475.33670	1.2
475.39548	1.3
493.40244	6.0
501.35614	1.0
503.37491	0.7
511.41440	2.5
515.37415	1.5
549.43127	0.8
567.43958	13.1
568.44690	0.7
585.45050	100.0
586.45166	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	585.2678
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05476	0.8
69.03411	0.9
70.12646	0.6
70.13058	0.5
71.04974	0.4
79.05504	0.2
85.06544	0.4
91.05451	0.7
103.05457	0.2
105.07000	1.3
115.05449	1.0
117.07021	2.4
118.97144	0.2
119.08567	0.3
135.08064	0.3
145.06459	3.0
147.08003	0.5
149.05943	0.8
157.06450	0.3
159.08041	1.1
161.05928	1.0
161.09604	0.4
161.89578	0.2
163.07501	0.6
173.05954	8.9
175.07518	4.6
177.05450	1.3
177.09100	0.6
179.08482	0.3
187.07491	2.6
189.09180	0.4
191.07001	7.1
196.08742	0.4
197.09534	0.4
203.07004	21.8
203.10599	0.6
205.08606	1.9
209.08078	1.5
211.11163	0.9
213.08942	0.3
214.09883	0.2
215.07007	2.8
217.08522	0.5
221.08055	100.0
222.08437	2.2
225.09019	0.3
227.07112	0.4
229.12198	2.8
231.10146	0.8
231.13782	0.6
233.08057	5.6
235.09625	0.3
238.91049	0.2
239.10614	1.2
242.09322	0.6
247.13254	0.5
257.09613	0.2
257.11688	9.0
275.12735	36.7
276.13153	0.9
293.13785	56.5
294.14169	1.7
378.37943	0.2
429.35803	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.4201
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.0
55.05492	16.2
57.03407	4.6
57.07064	14.1
57.77436	3.2
67.05492	42.8
69.03429	3.9
69.07055	17.3
70.06578	3.8
70.12399	14.6
79.05476	44.2
80.05832	6.1
81.07034	45.1
82.07367	8.0
83.04967	5.8
83.08600	9.7
83.92415	2.8
85.06530	4.9
88.07623	4.7
89.03162	3.5
89.06025	24.0
91.05467	38.3
92.05751	4.1
93.07024	58.0
94.07364	6.3
95.04974	8.7
95.08589	37.5
97.06497	6.6
105.07007	59.7
106.07318	8.2
107.08577	37.0
108.08895	4.7
109.06506	10.4
109.10143	21.5
110.41447	2.7
111.08070	4.8
115.05392	3.7
117.06980	12.9
119.08555	69.7
120.08834	3.4
121.06478	4.8
121.10116	33.9
122.10460	6.1
123.08027	12.4
123.11698	6.6
125.05905	3.8
128.06198	6.1
129.06978	9.9
130.07716	4.1
131.08548	35.8
132.08842	4.7
133.08575	13.1
133.10085	38.0
134.10435	6.4
135.08012	12.7
135.11650	18.3
136.11922	3.6
137.09613	7.2
141.06992	3.9
142.07724	10.9
143.08528	24.0
144.09261	7.0
145.10085	45.4
146.10443	5.9
147.08035	10.0
147.11639	17.1
148.12003	4.0
149.09589	7.8
149.13235	5.7
151.07526	5.9
155.08534	11.5
156.09294	12.5
157.10118	36.1
158.10857	6.0
159.08044	5.6
159.11655	26.6
160.12073	5.6
161.09608	6.5
161.13234	10.1
163.11209	8.0
165.06921	6.5
165.09033	20.0
167.08479	3.4
167.90079	3.2
168.09206	5.1
169.10089	17.3
170.10768	6.8
171.11656	21.8
172.12312	7.2
173.13208	15.2
174.13765	3.7
175.11145	8.5
175.14803	12.3
177.11221	6.7
177.12689	3.2
181.10097	8.3
181.12152	6.3
182.10829	4.1
183.10228	3.6
183.11626	17.1
185.13252	13.0
187.14810	9.8
189.12704	7.9
190.13420	4.1
191.10625	3.7
193.10098	6.9
193.12033	5.1
194.10881	5.7
195.11687	11.6
196.12427	5.5
197.13182	15.2
199.14723	5.5
201.12689	4.1
201.16292	5.8
203.14268	10.7
207.11644	7.8
207.13657	5.2
208.12474	3.4
208.14407	4.0
209.13237	12.1
209.15222	3.8
211.14771	6.6
213.16388	6.1
219.13838	5.2
221.13345	6.7
221.15334	45.6
222.13762	4.3
222.15820	3.9
223.14781	12.0
225.16391	8.4
234.16068	6.3
235.14745	7.7
247.16879	8.0
251.17982	3.7
259.20517	5.3
260.20911	4.1
261.16135	3.8
263.17889	6.1
281.18866	3.8
283.26190	4.6
299.20117	8.0
308.23175	3.2
311.29324	11.5
325.21442	10.5
328.31873	5.1
337.21735	8.0
352.23883	63.7
365.24551	9.2
371.22736	10.8
398.28085	6.2
404.30475	6.1
412.29538	11.1
425.30237	3.5
438.31076	10.8
486.07169	3.7
489.33789	3.9
491.35089	11.7
492.35364	8.2
504.35849	100.0
566.41248	5.4
584.42676	74.8
584.57001	25.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.4207
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84288	2.9
53.03928	6.1
55.05498	16.2
57.03408	4.8
57.07049	11.6
59.04992	3.9
60.06789	3.5
67.05497	30.7
69.03409	4.6
69.07059	16.1
70.06554	4.9
71.08588	4.3
71.63801	3.7
71.64236	6.2
73.51722	3.1
74.64397	3.2
76.37940	3.5
79.05486	29.8
81.07048	39.1
83.04958	4.8
83.08598	11.0
85.06523	6.0
88.07620	3.4
89.06003	25.9
91.05463	38.1
92.05798	5.9
93.07027	50.1
95.04954	8.2
95.08591	32.8
97.06516	6.9
97.10163	4.0
105.07020	57.7
106.07299	5.8
107.08569	34.3
109.06477	3.9
109.10144	17.0
115.05537	5.7
117.06998	16.6
119.08562	73.1
120.08894	4.8
121.06526	3.7
121.10113	29.7
123.08097	9.7
123.11704	3.7
128.06194	6.1
129.06955	14.3
131.08549	35.9
132.09033	3.8
133.08588	15.8
133.10106	37.4
134.10437	6.1
135.08052	9.0
135.11671	11.7
137.09589	9.8
141.06964	5.3
142.07695	8.2
143.08548	30.1
144.09319	6.1
145.10110	51.2
147.08014	12.4
147.11664	17.1
149.09595	10.4
149.13232	8.1
151.07561	6.7
155.08553	9.7
156.09293	11.5
157.10094	45.8
158.10789	6.7
159.08054	6.1
159.11665	32.5
160.08829	12.9
161.09541	8.9
161.13219	10.5
163.11215	6.6
165.09122	21.1
165.25850	3.9
167.08562	7.5
168.09264	4.9
169.10092	15.2
170.10727	5.6
171.11703	25.8
172.12271	6.8
173.13255	17.2
175.11121	8.3
175.14766	8.5
177.11212	6.2
179.08438	4.9
180.09314	5.3
181.10063	8.1
181.12244	7.0
182.10910	3.9
183.11644	26.5
185.09552	4.6
185.13234	14.7
186.13765	5.1
187.14806	10.6
191.14255	4.6
193.10057	5.6
194.10887	5.7
195.11697	12.1
196.12428	4.9
197.13206	16.2
199.11076	3.8
199.14729	6.8
203.14311	10.6
207.11725	7.9
207.13815	9.9
208.12482	3.4
209.13197	12.0
210.13852	5.1
211.14757	9.5
219.11693	3.8
219.13710	4.7
221.13451	5.1
221.15347	43.2
223.14764	13.7
225.16261	4.4
234.16158	10.3
235.14656	4.6
247.16969	8.2
259.20770	3.7
265.19446	4.1
274.19220	5.1
286.19287	4.9
299.19943	8.4
300.20514	5.3
300.28979	6.9
308.22812	5.4
311.29407	11.4
312.20395	4.7
325.21564	10.4
337.21603	8.8
352.23843	58.9
365.24762	8.7
371.22897	10.1
378.25333	3.7
398.28198	9.1
404.30722	6.7
412.29651	16.5
425.30878	4.3
438.31216	14.1
489.33566	4.9
490.34485	4.0
491.34995	15.1
492.35385	5.5
504.35873	100.0
505.36597	4.2
551.76770	3.8
566.41980	9.6
576.86652	3.9
584.42773	58.9
584.56281	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	584.4204
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89853	1.3
53.03940	4.5
55.01866	1.8
55.05502	14.3
57.03428	2.2
57.07073	11.6
63.55759	1.4
65.03928	3.7
67.05495	30.2
68.13127	1.4
69.03417	3.7
69.07054	15.6
69.53786	12.4
70.06577	3.8
71.04984	2.4
71.08614	3.9
77.03901	2.1
79.05049	2.1
79.05483	29.0
80.05816	2.8
80.06252	2.6
81.07047	42.2
82.07348	1.7
83.04977	4.2
83.08617	7.9
85.06516	4.2
89.06010	3.5
91.05468	57.6
92.05781	2.8
93.07034	57.9
95.04955	28.0
95.08598	42.2
97.06519	4.6
97.10162	2.7
98.21480	3.7
103.05426	2.9
105.07018	91.5
106.07302	3.2
107.04880	1.8
107.08580	50.8
108.08878	1.6
109.06514	8.7
109.10150	22.9
111.08046	4.3
115.05392	7.4
116.06271	2.8
117.06998	30.4
119.08564	100.0
120.09320	6.8
121.06484	5.8
121.10129	39.8
123.08055	15.5
123.11709	8.0
125.09619	2.9
128.06203	11.7
129.06992	23.9
130.07799	9.5
131.07567	2.7
131.08556	57.0
132.09251	4.9
133.06493	4.6
133.08589	2.2
133.10123	57.4
134.10481	4.9
135.08044	13.4
135.11685	22.3
137.09578	6.6
138.10387	8.6
139.11147	3.4
141.06921	7.9
142.07770	16.7
143.08546	46.3
144.09323	12.9
145.06473	3.6
145.10109	68.3
146.10629	4.1
147.08040	6.6
147.11668	26.2
148.12029	1.8
149.09599	10.3
149.13246	7.1
151.11111	3.4
153.07005	3.5
154.07777	3.8
155.08531	19.8
156.09348	16.9
157.10118	52.0
158.10857	7.8
159.08026	11.0
159.11668	42.7
160.12270	2.8
161.09547	8.6
161.13223	9.2
163.11143	5.3
165.06946	7.6
165.12691	2.0
166.07745	2.7
167.08527	11.5
168.09309	9.2
169.10100	30.9
170.10892	8.2
171.11664	33.7
172.12355	5.6
173.09601	3.5
173.13248	30.2
174.13893	2.9
175.11156	4.9
175.14813	18.3
177.12778	4.6
179.08517	11.2
180.09309	6.9
181.10094	19.2
182.10938	7.6
183.11673	30.2
184.12375	7.2
185.09624	3.1
185.13235	20.0
186.13826	3.9
187.11205	5.0
187.14803	18.2
187.39070	1.7
189.12711	5.0
191.14288	4.9
192.09422	4.1
193.10117	12.6
194.10820	8.9
195.11674	25.1
196.12424	7.2
197.13232	27.9
198.13890	3.5
199.11211	4.3
199.14777	9.9
201.12729	4.1
201.16362	10.9
203.08664	1.8
203.14296	3.6
205.10091	2.8
205.15883	2.1
206.10913	5.2
207.11705	14.7
207.13728	4.2
208.12466	6.7
209.13234	31.7
210.13887	6.0
211.11148	2.3
211.14822	15.2
212.11957	1.9
212.15504	2.6
213.12721	3.1
213.16376	7.1
214.16890	2.8
215.14317	3.8
215.17941	1.9
217.10196	2.7
217.15863	5.8
219.11601	7.2
219.17436	3.5
220.12428	4.3
221.13293	12.3
221.15248	3.3
222.13951	4.9
223.14781	13.9
224.15434	2.1
225.12714	3.6
225.16296	8.6
227.14366	3.2
231.11603	3.4
231.17450	6.1
232.17795	3.2
233.13219	6.7
233.15405	4.4
234.13950	2.5
235.14824	7.5
236.15417	2.8
237.16328	10.9
239.17908	5.5
241.15912	3.2
241.19403	2.9
243.11659	2.3
243.17542	2.0
245.13190	4.7
247.14792	5.7
249.16367	5.4
251.18013	6.1
253.15892	2.4
253.19568	1.7
255.17456	10.6
256.26227	1.9
257.13391	1.9
257.18942	2.5
259.14789	2.3
259.20474	2.0
260.15399	2.2
261.16351	6.0
262.17004	2.9
263.17963	4.4
265.15933	2.3
265.19443	4.6
267.20963	3.1
269.18991	4.4
270.19788	4.1
271.20496	3.2
273.16251	2.5
275.17877	4.2
277.19272	2.1
279.17499	2.5
279.20920	2.0
281.18912	4.0
283.20599	4.2
283.26157	2.1
285.22098	2.4
287.17847	2.8
288.20770	2.3
289.19434	2.0
295.20480	2.3
297.22128	5.4
300.28961	6.4
311.29398	10.5
321.22168	5.8
323.23608	1.7
336.25940	2.6
347.23596	2.6
349.25128	2.8
354.25513	14.5
363.27057	2.2
367.26312	1.9
385.96265	1.9
431.66748	1.8
446.31989	5.9
492.35706	12.1
498.47086	3.2
551.38794	2.7
566.41394	7.3
584.42657	59.1
584.56921	21.1
585.42517	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4349
Annotation	Unknow
Peak:m/z	Relative Intensity
54.66142	5.7
55.05493	17.1
57.03442	7.4
62.83216	5.9
67.05495	44.9
69.07044	15.8
69.73292	42.1
70.11481	6.9
79.05492	41.2
81.07040	42.7
82.80765	5.7
83.08603	7.9
91.05485	38.9
93.07056	46.1
95.04959	7.4
95.08596	30.3
104.35015	6.1
105.07016	36.0
107.08575	22.3
107.49993	5.9
109.10155	12.8
116.06086	5.9
117.07031	15.7
119.08571	42.4
121.10124	33.8
129.06999	12.0
131.08519	24.1
133.10164	34.2
135.11667	12.1
136.56946	7.5
143.08516	10.9
145.10110	23.2
147.11641	14.1
157.10133	13.4
159.11673	19.1
161.13266	7.5
169.09995	11.6
171.11626	16.9
173.13274	7.7
183.11710	8.9
185.13185	14.1
199.14832	7.0
201.16151	6.0
202.01103	6.2
211.14771	7.6
213.16531	8.7
223.14827	8.1
231.71764	6.9
241.19728	8.0
259.20419	18.2
307.22711	18.2
317.04803	7.3
466.76315	7.9
524.29004	6.7
565.42279	9.1
583.43347	100.0
584.44263	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	583.4347
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	1.0
53.03935	2.6
55.01854	2.3
55.05500	15.0
57.03428	6.8
57.07060	2.8
64.27036	0.6
65.03926	2.6
66.28574	0.6
67.05491	40.9
69.03435	0.8
69.07053	16.3
70.76080	1.8
71.04975	2.6
77.03901	0.7
79.05477	43.4
81.03427	0.9
81.07040	40.1
83.04966	1.7
83.08598	8.3
85.06530	2.8
91.04880	1.4
91.05463	35.0
93.07026	44.8
95.04941	4.7
95.08585	32.6
97.06522	2.6
97.10162	4.1
99.08089	1.7
103.05465	0.9
105.04503	1.5
105.07008	34.1
107.04946	1.3
107.08571	22.6
107.09280	1.4
109.06494	2.4
109.10133	15.1
111.08054	1.2
113.09651	0.7
115.05495	0.8
116.06280	1.0
117.06994	13.8
119.08559	28.8
121.06535	1.2
121.10123	24.7
123.08066	2.2
123.11682	5.1
125.09663	1.7
128.06219	1.6
129.06982	10.7
130.07802	2.0
131.08545	21.1
133.10104	26.0
135.08046	1.9
135.11665	14.2
137.09589	1.7
137.13249	1.8
139.11182	0.7
141.06998	2.6
142.07797	1.8
143.08533	11.6
144.09384	1.5
145.10100	22.1
147.08046	0.9
147.11653	20.6
147.12770	1.3
149.09622	1.9
149.13254	6.9
151.11130	1.4
155.08525	5.2
156.09302	1.1
157.10103	12.5
157.11287	1.0
158.10966	1.0
159.11661	16.4
161.09613	1.2
161.13228	11.8
163.11160	1.8
163.14795	2.3
165.06975	0.9
167.08568	2.0
169.10091	6.7
171.11644	13.4
172.12268	0.8
173.13223	10.5
175.14769	5.6
177.12784	1.4
177.16325	1.1
179.08514	0.8
181.10075	3.2
183.11664	8.1
185.13213	8.6
187.11194	1.1
187.14771	6.7
189.12747	0.7
189.16380	2.3
191.14265	0.9
191.17889	1.0
193.10115	1.0
194.10948	0.7
195.11679	3.0
197.13219	5.7
198.13991	0.9
199.14769	6.0
201.16313	3.2
203.14334	1.2
203.17989	2.1
205.19501	0.7
207.11711	1.3
209.13275	2.3
211.14828	4.8
213.14630	1.0
213.16400	7.2
215.17892	4.8
217.15845	1.2
217.19470	0.7
221.13211	1.6
221.15378	2.3
223.14827	2.5
225.16328	2.3
227.17958	2.2
229.16019	1.0
229.19615	1.6
231.17336	3.3
231.20995	1.6
233.18993	1.8
237.16618	0.8
239.18001	2.5
241.19521	9.3
243.21066	1.4
249.16331	1.3
251.17926	1.4
253.19717	0.9
255.21198	1.1
257.19019	2.9
259.20514	16.6
261.22174	1.6
263.18060	0.7
265.19473	1.0
271.20654	0.7
273.22198	0.7
275.20096	0.8
277.21805	0.8
283.20490	0.8
286.18793	0.8
289.21924	0.8
297.22076	1.0
305.21228	1.4
307.22592	22.3
309.24396	1.2
311.20169	1.0
311.23584	1.2
313.21774	1.0
315.23141	1.9
325.25296	0.9
331.22772	0.7
333.24164	12.2
335.25766	2.8
351.25876	0.9
353.28183	1.1
367.30240	0.8
393.31628	0.9
399.29254	0.8
432.75049	0.9
473.31894	0.7
473.37997	1.4
487.34113	1.2
491.38882	6.8
499.34329	0.8
509.39886	2.7
513.35541	1.6
514.36182	0.7
565.42535	8.7
583.43451	100.0
584.43896	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	583.435
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	1.9
53.41809	0.7
55.01868	0.9
55.05507	12.0
57.03433	4.2
57.07064	2.7
58.24740	0.7
65.03931	1.5
67.05497	31.5
69.06706	1.3
69.07058	13.7
70.20285	3.5
71.04985	1.9
79.05485	22.3
81.07048	31.9
83.04975	1.3
83.08607	6.3
85.06538	1.9
91.05468	24.0
93.07030	29.4
95.04964	2.6
95.08593	27.0
95.09218	0.7
97.06516	2.4
97.10164	2.2
99.08080	0.7
103.05478	0.9
105.07016	28.5
107.08579	17.6
109.06496	1.1
109.10142	10.4
111.08054	1.8
115.05454	2.2
117.06996	10.1
119.08566	24.1
121.10135	13.9
123.08073	1.7
123.11698	2.8
125.09589	1.2
128.06201	2.4
129.06985	11.9
130.07779	1.0
131.08563	16.4
133.10112	25.2
135.08066	1.3
135.11682	9.2
137.09557	1.3
137.13242	1.3
141.06989	2.0
142.07770	2.5
143.08534	12.1
144.09315	1.3
145.10098	20.7
147.08023	1.9
147.11671	15.3
149.09630	1.7
149.13239	4.1
151.11191	0.9
155.08519	5.9
156.09305	1.2
157.10110	13.3
159.11661	14.0
161.09627	1.2
161.13220	4.6
163.11147	1.1
163.14798	1.9
165.09190	1.0
167.08572	2.1
168.09354	1.4
169.10110	6.6
171.11671	12.6
173.13235	9.0
175.11203	1.9
175.14842	4.1
177.12752	0.8
181.10139	3.0
183.11670	7.4
185.13202	6.9
187.14799	5.4
189.12653	1.4
189.16405	2.3
193.10130	1.4
195.11604	3.3
197.13252	5.6
199.14792	6.5
201.12955	0.8
201.16429	2.2
203.14305	1.0
203.17967	3.2
207.11742	1.1
209.13234	3.8
211.14777	4.1
213.16374	14.9
215.17921	2.2
217.15500	0.6
219.11711	1.2
221.13190	1.8
221.15413	2.8
221.91525	0.6
223.14793	1.8
225.16417	2.5
227.17984	2.8
229.15860	1.9
229.19580	1.1
231.17398	13.1
235.14781	1.5
237.16423	1.9
239.18045	1.8
241.19710	1.7
251.17828	1.2
253.19588	1.2
255.21016	0.8
257.18954	1.0
259.20535	1.9
263.17804	1.0
271.20511	0.8
273.22464	0.7
279.20944	1.0
283.20590	1.4
285.22015	1.1
297.21967	1.1
305.21231	3.7
307.22748	1.2
311.23788	1.0
325.25269	1.5
333.24277	2.1
335.25739	8.8
339.26801	1.2
353.28583	1.0
379.51428	0.7
409.31290	1.1
462.24832	0.7
473.37833	1.7
475.33951	1.2
487.34100	1.0
491.39783	5.3
499.33954	1.0
501.36273	1.0
509.39792	1.8
513.35986	1.6
537.38971	1.0
565.42395	9.5
583.43420	100.0
584.43854	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	583.435
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.9
55.01859	2.5
55.05253	1.4
55.05506	18.3
57.03428	6.5
57.07064	2.7
65.03929	2.7
67.05499	45.7
69.03410	0.8
69.06707	1.4
69.07061	16.5
70.52109	0.6
71.04982	2.5
71.08633	1.5
75.13957	0.7
79.05487	42.6
80.58286	0.8
81.07053	45.0
83.04977	2.5
83.08606	8.6
85.06546	2.9
91.05473	37.4
91.06060	0.9
93.07037	46.2
94.67920	0.7
95.04980	6.2
95.08598	34.8
97.06526	4.0
97.10161	3.2
99.08065	1.6
103.05460	0.8
105.07023	35.4
107.08585	25.1
109.06510	1.9
109.10149	16.8
109.10901	0.9
110.48493	0.8
111.08071	1.7
111.11743	1.1
113.09620	0.7
115.05440	1.2
117.06998	13.1
117.07726	1.3
119.08571	31.7
121.10132	24.5
123.08067	2.2
123.11710	4.3
125.09639	1.8
128.06258	2.0
129.05550	0.8
129.06995	9.8
130.07790	1.5
131.08551	24.7
131.09499	1.3
133.10117	29.2
135.11671	15.3
137.09624	1.9
137.13286	1.4
141.07001	2.9
142.07785	2.7
143.08556	13.1
145.10115	22.7
147.08018	1.0
147.11674	24.6
149.09602	1.4
149.13245	7.9
151.11299	0.7
151.14880	0.9
155.08549	4.9
156.09416	1.3
157.10118	14.5
159.11685	18.1
161.09619	0.8
161.13239	13.5
163.11162	2.8
163.14850	3.3
165.09102	1.1
165.12837	1.0
167.08635	2.0
169.10103	7.2
171.11655	14.8
172.12076	0.7
173.13246	13.8
175.11250	0.8
175.14856	7.1
177.12749	1.0
177.16457	0.8
179.08464	0.9
181.10109	3.7
183.11664	6.4
185.13243	11.4
187.14854	6.9
189.12750	1.3
189.16399	2.4
191.18031	0.9
195.11700	3.1
197.13245	6.3
199.14813	7.1
201.16377	3.0
203.14326	1.5
203.17949	2.0
207.11797	1.4
209.13234	2.7
211.14795	4.4
213.12939	1.1
213.16406	7.6
215.17952	5.1
217.19621	1.0
221.13382	1.3
221.15443	1.9
223.14775	3.1
225.16406	2.9
227.17973	2.2
229.15904	1.8
229.77744	1.2
231.17407	5.2
231.21127	2.0
233.19057	2.8
235.14896	1.0
237.16411	2.4
239.17952	2.9
241.19481	9.8
243.17395	1.1
243.21054	1.5
251.18074	1.5
253.19519	1.1
257.19113	3.5
259.20566	17.6
261.22186	2.3
265.19421	1.5
277.21777	1.0
282.51941	0.8
305.21112	2.8
307.22635	25.4
309.24585	1.1
315.23184	1.1
331.22662	1.4
333.24268	13.4
335.25858	3.5
339.27032	1.4
351.25098	1.0
353.28644	1.2
365.28323	0.9
367.30301	0.8
393.31250	1.6
397.31400	0.9
421.30334	1.0
473.37903	1.7
491.39450	6.6
509.39948	2.9
513.35681	1.5
565.42395	10.9
583.43463	100.0
584.43890	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4347
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	2.4
53.98883	0.8
55.00452	0.8
55.01839	1.0
55.05257	1.1
55.05503	12.5
57.03429	4.9
57.07066	4.9
65.03925	1.6
67.05493	30.6
68.05833	0.8
69.03407	1.6
69.07055	12.1
69.62099	3.2
69.62512	1.8
69.94839	0.7
71.04979	2.7
71.08605	1.3
79.05045	1.7
79.05478	22.1
81.07042	31.6
82.07355	0.9
83.04961	2.3
83.08613	6.1
85.06530	3.6
89.06072	0.7
89.65530	0.8
91.05461	25.7
92.05731	1.0
93.07027	29.4
95.04423	0.8
95.04929	3.8
95.08592	29.5
97.06508	2.7
97.10158	2.2
99.08069	2.0
105.04466	1.0
105.07009	31.2
107.04934	1.0
107.08572	17.0
108.90752	0.7
109.06497	2.2
109.10132	13.4
111.08042	1.4
111.11706	1.0
117.07004	9.3
119.08563	26.5
121.06518	0.8
121.10126	19.2
123.08028	4.5
123.11716	3.6
125.09654	0.8
128.06204	2.3
129.06982	10.9
130.07829	1.1
131.08537	19.2
133.09079	1.7
133.10101	26.7
135.08072	2.4
135.11661	9.9
137.09604	2.3
137.13216	1.1
139.11148	1.2
141.06999	3.3
142.07727	4.2
143.08540	13.7
145.10095	20.8
146.10446	0.7
147.07997	3.8
147.11670	20.6
149.09610	2.7
149.13226	4.8
151.07501	2.6
155.08549	6.3
156.09338	3.5
157.10109	18.9
158.10895	1.9
159.08101	1.1
159.11670	15.7
159.12999	0.9
161.09605	1.3
161.13217	6.8
163.11148	2.8
163.14816	1.1
165.09087	7.8
166.27037	0.8
167.08559	2.4
168.09297	0.9
169.10094	9.0
171.11641	14.8
172.12434	0.9
173.13242	11.7
175.11276	1.6
175.14824	2.7
179.08591	1.2
181.10129	4.3
181.12294	0.8
182.10861	1.7
183.11688	9.2
184.12419	1.3
185.13210	10.6
187.11191	1.6
187.14754	6.8
189.12791	2.3
189.16426	3.7
193.10176	2.0
194.10851	1.2
195.11673	4.6
196.12421	1.0
197.13240	7.4
199.14796	5.4
201.16321	3.9
203.14302	4.4
203.18040	2.9
206.10896	1.1
207.11705	2.3
207.13736	1.6
209.13213	7.1
211.14709	5.7
213.16383	12.2
215.14442	1.0
215.17961	3.3
219.11768	1.0
221.13274	2.8
221.15393	11.8
223.14760	4.5
225.16380	3.1
227.17889	2.9
229.15866	3.0
229.19530	0.8
231.17400	16.4
233.19052	1.7
235.14830	2.1
236.15697	0.9
237.16386	2.1
239.17967	2.1
241.19586	1.1
249.16417	1.5
251.17992	1.5
253.19633	1.5
257.19012	1.5
259.20569	2.5
261.16357	1.0
261.22153	3.3
263.17957	1.3
265.19598	1.5
271.20465	1.3
273.16602	1.1
277.19446	1.3
279.20929	1.3
281.18933	1.1
283.20651	2.0
285.22040	1.2
295.20517	1.4
297.22275	2.2
299.23752	1.1
303.19666	1.4
305.20993	6.5
307.22772	1.8
333.24423	1.1
335.25778	9.4
344.24796	1.0
383.29645	1.0
391.30048	0.9
403.29907	2.3
473.37955	1.6
491.38806	7.7
503.34464	1.2
509.39847	2.8
513.35620	1.3
565.41785	14.2
566.41309	1.1
583.43079	100.0
584.42603	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	583.4345
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02346	0.9
53.03920	2.6
55.01855	1.5
55.05500	14.7
57.03426	4.7
57.07060	2.8
65.03917	2.6
67.05490	32.0
69.07051	10.9
69.27987	0.7
69.50212	6.4
71.04977	1.9
77.60417	0.7
79.05476	26.2
81.07039	31.8
83.04961	1.5
83.08607	7.2
85.06513	3.3
91.05460	24.4
93.07024	24.9
95.04955	3.2
95.08588	25.1
97.06502	2.1
97.10143	2.2
98.21461	1.3
99.08080	1.1
103.05448	0.9
105.07011	24.7
107.08572	15.5
109.06482	1.1
109.10142	11.0
111.08051	1.3
111.11681	0.9
115.05444	1.3
117.06990	9.7
119.08554	23.8
121.09277	1.4
121.10114	13.6
123.08031	1.2
123.11704	3.0
128.06168	1.3
129.06981	9.9
131.08545	21.2
133.10098	25.5
135.08046	1.1
135.11662	8.6
137.09601	1.2
137.13237	1.0
139.32808	0.9
141.06995	2.7
142.07735	1.9
143.08537	11.8
145.10085	19.9
147.08066	1.0
147.11661	16.3
149.09518	0.8
149.13272	3.3
151.14821	1.3
155.08543	4.2
156.09419	1.2
157.10103	12.1
157.11295	1.1
159.11661	11.6
161.13222	5.4
163.14822	2.5
167.08582	1.5
169.10066	6.5
170.10782	1.0
171.11664	13.7
173.13214	10.0
175.14830	2.3
181.10149	3.5
183.11635	6.3
185.13217	9.0
187.14793	6.0
189.16347	1.9
195.11665	4.0
197.13225	4.8
199.14799	5.4
201.16331	4.2
203.14235	0.8
203.17966	3.7
207.11855	0.9
209.13196	2.9
211.14804	4.4
213.14590	1.3
213.16364	14.5
215.14447	0.8
215.17926	3.8
217.19507	0.9
221.13353	1.5
223.14793	1.7
225.16405	2.4
227.17854	2.1
229.15833	1.6
229.19516	1.4
231.17401	16.3
233.18999	1.6
235.14885	1.0
237.16405	1.3
239.17941	2.3
241.19537	1.0
243.21071	0.9
247.14699	0.9
251.17943	1.0
253.19576	0.8
257.19006	1.0
259.20654	1.7
261.22110	1.2
283.20508	0.9
297.21802	1.0
299.23975	0.9
305.21054	4.2
307.23166	0.9
311.23688	1.1
325.25311	2.0
327.23108	1.2
333.24240	1.2
335.25723	8.8
339.26917	1.4
346.87958	0.8
379.24823	0.8
401.49173	0.9
409.30954	0.8
471.35049	0.8
473.38107	1.2
491.38824	7.9
501.35446	1.4
509.39856	2.4
513.35468	1.8
523.38123	0.7
565.42334	7.6
583.43457	100.0
584.43854	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	583.4344
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	3.1
55.01861	2.5
55.05251	1.3
55.05501	16.1
57.03427	8.3
57.07057	3.5
65.03915	3.6
67.05491	41.6
69.07054	14.6
69.25705	2.5
69.26122	7.2
71.04986	2.1
74.81585	0.8
79.05477	41.5
81.03403	2.0
81.07037	41.5
82.52314	0.9
83.04965	1.7
83.08593	10.6
85.06536	3.4
91.04882	1.1
91.05461	35.6
93.07026	48.0
95.04946	5.5
95.08584	35.0
97.06493	3.2
97.10158	3.7
99.08065	1.7
101.29593	0.9
103.05457	1.5
105.07008	39.6
107.04974	1.1
107.08571	25.4
109.06534	1.5
109.10124	18.3
109.10812	1.5
111.08065	2.1
113.09695	1.3
115.05494	1.4
117.06994	13.3
119.08559	34.8
121.10124	25.9
123.08060	2.0
123.11661	5.2
125.09605	1.5
128.06207	2.4
129.05505	1.1
129.06985	10.8
130.07808	1.3
131.08536	24.0
131.09492	1.4
133.10097	28.8
133.11055	1.6
133.95531	0.9
134.10471	0.9
135.08070	1.7
135.11659	13.1
137.09529	2.1
137.13208	1.4
139.11145	1.2
141.06981	2.7
142.07710	2.5
143.08530	14.1
144.09279	1.4
145.10097	21.6
146.10640	1.2
147.08086	1.7
147.11646	23.2
149.09586	3.0
149.13222	7.2
151.11134	1.3
155.08540	5.7
156.09300	1.4
157.10104	14.7
159.11671	19.2
160.53589	1.0
161.09566	1.1
161.13234	10.3
163.11183	3.1
163.14809	3.1
165.09067	1.4
167.08557	1.9
168.09340	1.6
169.10094	8.1
170.10915	1.3
171.11652	13.4
173.13240	12.7
175.11171	1.9
175.14749	6.8
177.12733	1.3
177.16386	1.1
179.08540	1.0
181.10115	3.8
182.10933	2.4
183.11650	7.8
185.13206	10.0
187.14752	7.2
189.12756	1.1
189.16422	3.0
193.10158	1.5
195.11761	4.0
197.13167	6.2
199.14807	6.3
201.16364	3.4
203.14328	1.4
203.17937	1.3
207.11644	1.4
209.13225	5.0
211.14774	4.7
213.16319	6.0
215.14465	0.9
215.17854	4.4
221.13309	2.0
221.15347	2.0
223.14735	2.4
225.16377	3.7
227.17921	1.1
229.15843	1.9
229.19485	1.5
231.17429	4.7
231.21156	1.5
233.18976	2.5
235.14774	1.5
237.16367	2.4
239.18002	2.6
241.19543	8.4
249.16365	1.8
251.17877	1.9
257.19025	2.9
259.20535	15.2
261.21857	1.4
267.17322	1.0
269.19147	1.2
277.21790	1.2
279.21008	1.1
283.20703	1.1
285.22137	0.9
292.75336	0.8
305.21204	2.6
307.22586	19.1
309.24707	1.2
315.23169	1.4
333.24136	11.0
335.25967	3.1
339.26682	1.1
353.28418	1.3
381.31250	1.2
425.19571	0.8
427.32944	0.9
473.37827	1.8
491.39523	6.6
509.39963	3.0
513.35492	1.0
515.38025	0.9
565.42493	9.2
583.43390	100.0
584.43677	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	583.4143
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76448	3.1
53.03925	3.5
55.01894	5.3
55.05489	12.7
55.42429	3.2
57.07068	5.1
67.05479	19.6
69.03408	7.3
69.07047	9.9
69.36347	19.0
69.36772	16.9
71.04975	3.8
79.05479	17.1
81.07037	24.1
83.04955	4.6
83.08601	16.7
85.06498	4.1
91.05465	28.7
93.07032	33.4
94.82253	3.6
95.04928	9.6
95.08588	28.3
97.06528	11.3
104.10707	6.9
105.07024	45.6
107.08568	32.2
109.10131	19.9
113.09602	5.7
115.17193	3.3
117.06985	7.4
119.08566	51.7
121.06507	3.9
121.10128	39.8
123.08048	14.6
123.11784	4.7
128.06206	6.8
129.07014	7.5
131.08549	15.1
133.10110	32.4
135.08051	5.7
135.11661	8.0
137.09608	6.2
139.11211	4.5
142.07747	12.9
143.08517	22.3
144.09232	5.1
145.10092	31.7
147.08031	7.8
147.11684	8.5
149.09612	6.4
151.07515	6.7
155.08534	11.1
155.10651	6.4
156.09288	11.9
157.10074	32.8
159.11662	16.1
161.09587	5.7
161.13147	7.7
165.09073	4.4
167.08536	8.8
167.10667	8.9
169.10139	12.9
171.11723	21.7
173.13228	14.3
175.14742	5.0
179.08577	12.3
181.10129	11.3
181.12196	12.7
182.10976	4.3
183.11595	18.1
185.13168	17.6
187.00198	3.7
187.14743	6.4
191.14293	6.5
193.10135	8.7
194.10796	4.6
195.11647	16.4
196.12326	6.3
197.13246	14.9
199.14801	11.8
201.16339	6.2
203.14264	6.2
207.11647	8.2
209.13249	17.1
211.14705	13.9
213.16347	5.9
215.14259	5.1
217.15903	4.7
219.11703	5.1
220.12486	4.2
221.13174	8.9
221.15358	23.8
223.14835	10.1
233.13213	6.2
233.15401	14.7
234.13831	5.1
235.14735	8.6
237.16370	6.4
241.30571	3.9
245.13222	6.8
247.14662	5.6
249.16293	7.6
251.18030	6.4
257.19034	5.8
261.16415	6.0
277.19601	5.5
283.20328	10.3
331.23953	5.5
361.25150	4.5
363.26752	5.6
366.41498	4.0
397.29321	5.0
491.35165	4.8
535.81976	3.9
565.40338	26.6
583.41321	100.0
584.41437	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	583.4136
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	2.8
55.05495	9.1
57.03431	1.3
57.07075	5.9
59.04974	3.4
60.37207	1.1
65.03915	2.5
67.05497	14.0
69.03413	5.5
69.07056	12.4
71.63456	2.3
79.05478	17.8
81.07034	28.3
83.04951	5.6
83.08603	7.3
85.06514	4.6
91.05460	25.7
93.07026	30.6
95.04952	7.0
95.08595	24.9
97.06522	5.9
97.10153	2.2
103.05460	2.4
105.07009	39.5
107.04924	1.6
107.08567	31.2
109.06501	5.6
109.10142	17.0
111.08071	1.6
113.09625	2.4
115.05412	2.9
117.07005	13.4
119.08559	52.2
120.08851	1.4
121.06475	3.2
121.10117	27.2
123.08043	10.2
123.11681	5.6
125.05943	2.2
125.09601	2.3
128.06178	3.9
129.06981	7.8
130.07767	3.9
131.08556	24.0
132.29761	1.2
133.06438	2.8
133.10110	30.2
135.08038	6.6
135.11656	13.3
137.09607	6.2
139.07500	1.3
139.11148	2.5
141.06996	4.2
142.07738	8.9
143.08543	20.5
144.09335	3.9
145.10097	35.0
147.07997	12.2
147.11639	11.0
149.09602	7.0
149.13196	1.7
151.07506	8.9
151.11176	1.4
153.06955	1.3
155.08548	9.3
155.10597	3.3
156.09303	8.6
157.10101	28.6
158.10802	2.5
159.08038	3.4
159.11653	19.5
161.09621	3.3
161.13248	9.0
163.07616	1.8
163.11156	7.7
164.59325	1.1
165.06905	2.5
165.09071	15.2
167.08519	5.0
167.10645	4.2
168.09280	5.0
169.10086	15.0
170.10851	4.7
171.08035	1.3
171.11667	19.1
172.12451	1.5
173.09604	3.9
173.13225	12.9
175.11226	4.5
175.14793	10.7
177.09058	2.5
179.08539	5.2
179.14297	2.0
180.09311	3.3
181.10100	9.0
181.12161	7.1
182.10886	2.8
183.11670	16.8
184.12418	1.4
185.09636	1.6
185.13193	10.9
187.11125	2.4
187.14757	6.6
189.12682	3.9
191.14250	3.1
192.09294	1.9
193.10161	7.4
193.11826	1.6
194.10939	5.1
195.11684	13.5
195.13654	3.2
196.12444	4.7
197.09529	1.5
197.13264	14.5
199.11165	2.5
199.14766	7.6
201.12720	3.4
201.16374	4.6
203.14236	6.7
205.10083	1.3
206.10931	4.5
207.11658	6.2
207.13808	7.2
208.12421	3.4
209.09506	1.8
209.13223	13.8
209.15111	1.9
210.14096	1.5
211.14732	7.7
213.16403	3.3
215.14375	1.6
217.15921	3.4
218.10991	1.8
219.11688	4.3
219.17325	2.0
220.12381	2.3
221.13220	10.0
221.15367	30.6
222.13950	2.2
223.14771	9.2
224.15535	2.3
225.16379	3.8
227.14445	2.3
229.12192	2.1
229.15866	2.0
230.10899	1.5
231.11798	2.3
232.12386	1.9
233.13223	3.9
233.15404	5.2
234.13982	1.9
235.14796	6.2
237.12688	2.1
237.16403	3.9
239.14192	1.5
239.17928	2.6
241.15858	1.9
245.13208	4.0
246.13969	2.6
247.14757	3.6
247.16978	3.7
249.16359	4.8
251.18042	2.8
257.18982	1.6
259.14920	1.9
260.15530	2.8
261.16269	2.8
261.18692	2.0
262.17389	1.4
263.17755	1.4
265.19537	4.0
267.21063	1.8
273.16278	2.7
275.17889	3.6
277.19226	1.6
283.20535	4.0
285.18787	1.9
285.21951	1.4
287.20111	2.1
289.19455	1.3
291.20987	2.1
297.22064	1.9
303.17801	1.5
303.21185	1.9
307.20358	1.4
311.19986	1.7
331.24084	2.2
341.22510	1.6
349.25256	3.0
361.25378	1.5
375.26898	4.2
385.27441	3.6
390.25046	1.3
397.28848	1.8
399.28949	3.8
415.30054	1.7
417.19525	1.3
425.30368	6.0
456.69183	1.4
477.33325	1.8
491.35110	69.1
492.35413	2.8
504.35580	1.6
565.40338	9.7
583.41333	100.0
584.41772	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	583.4139
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64486	0.8
53.03928	2.3
53.23917	0.8
54.09592	0.9
55.05505	8.3
57.07067	6.4
59.04984	1.9
59.46695	0.7
65.03923	1.9
67.05493	13.8
68.64567	0.9
69.03410	3.5
69.07057	10.3
71.04972	2.3
79.05484	13.2
81.03422	1.1
81.07047	18.6
83.04948	4.1
83.08601	5.9
85.06529	5.5
85.19391	0.9
91.04896	0.8
91.05466	23.2
93.07032	31.9
95.04961	6.3
95.08593	22.2
97.06494	4.1
97.10155	1.3
98.21551	1.6
99.08024	0.9
103.05470	1.6
105.07021	36.2
107.04956	1.3
107.08580	28.6
109.06511	5.8
109.10135	14.0
111.08091	2.6
113.09641	2.0
115.05450	1.9
116.06228	1.2
117.06992	9.3
119.08562	40.7
121.06501	4.4
121.10127	30.5
123.08068	11.3
123.11691	4.8
125.05994	1.0
125.09614	3.7
128.06235	4.5
129.06989	8.9
130.07768	3.6
131.08542	19.7
133.06490	1.2
133.10117	25.7
135.08029	4.0
135.11659	10.1
137.09613	6.1
139.07559	1.3
139.11160	3.9
141.06952	3.4
142.07771	11.2
143.08559	19.3
144.09296	3.0
145.06464	1.1
145.10098	29.9
146.10794	0.8
147.08032	5.4
147.11656	11.2
149.09573	7.5
149.13234	2.0
151.07542	7.8
153.06908	1.8
154.07788	2.3
155.08534	8.6
155.10652	2.6
156.09337	10.3
157.10100	29.5
158.10887	4.1
159.08060	3.6
159.11665	17.7
160.12474	1.0
161.09610	3.5
161.13240	4.2
163.11118	4.9
165.06969	3.2
165.09074	10.0
165.12621	1.1
166.07726	1.6
167.08607	5.4
167.10661	20.3
167.12064	1.4
168.09317	3.0
169.10115	16.2
170.10881	4.7
171.11664	20.4
172.12257	1.3
173.09583	2.8
173.13243	11.4
175.11226	3.5
175.14767	5.5
177.09241	1.1
177.11201	0.9
177.12738	1.3
178.07739	1.0
179.08542	7.2
180.09280	3.2
181.10100	10.1
181.12178	2.3
182.10847	5.2
183.11674	16.5
184.12315	3.0
185.09578	1.4
185.13237	12.1
187.11162	2.0
187.14810	5.1
189.12802	4.9
191.08411	1.0
191.14275	4.7
192.09366	1.4
193.10120	7.8
194.10852	5.7
195.11649	13.6
196.12453	4.3
197.13246	15.6
198.13995	1.4
199.11163	2.0
199.14818	7.6
201.12682	1.7
201.16415	3.4
203.08577	1.2
203.14236	5.3
204.09239	1.1
205.10075	2.6
205.15929	1.4
206.10855	4.4
207.11713	10.9
207.13829	4.9
208.12440	3.7
209.13225	15.2
209.15091	1.7
210.13872	2.0
211.11282	1.0
211.14793	10.5
213.12706	1.1
213.16432	3.4
215.14262	3.6
217.10097	2.0
217.12161	0.8
217.15852	4.3
218.10956	2.0
219.11655	4.8
219.17439	1.5
220.12433	4.7
220.76552	0.8
221.13222	9.3
221.15375	19.3
222.13940	2.5
223.11261	1.1
223.14772	7.9
224.15436	1.5
225.12740	1.3
225.16382	4.2
227.14304	2.5
227.17915	1.1
229.15851	1.4
230.10989	1.6
231.11632	3.8
232.12506	2.7
233.13203	4.0
233.15364	6.3
234.13972	1.9
235.14688	7.5
235.16602	0.9
236.15631	2.2
237.12772	0.9
237.16341	5.4
238.17032	0.9
239.14307	1.6
239.17955	3.2
243.11699	1.5
245.13223	3.8
245.19049	1.1
246.14011	2.0
247.14882	5.4
248.15532	2.6
249.16367	4.5
250.16978	1.4
251.17950	5.5
253.19458	2.3
255.17442	2.5
257.13232	1.4
257.19046	3.8
258.14066	1.8
259.14789	3.5
259.20520	1.3
260.15585	2.6
261.16296	4.9
262.16977	1.1
263.17883	4.8
265.19400	5.2
269.18976	3.5
271.14783	1.7
271.20544	2.2
273.16260	3.7
275.17880	3.6
277.19495	3.0
279.17395	1.0
279.21130	3.0
281.18954	2.2
283.20499	5.3
285.16064	1.2
285.18817	1.1
287.17676	1.6
289.19449	2.5
291.17462	1.4
291.20978	1.7
293.18832	2.1
295.20569	3.5
297.22168	2.5
301.19400	2.2
307.20374	1.2
311.20215	1.5
313.19150	1.4
315.21030	1.6
317.22620	1.4
329.22580	1.1
331.24426	1.8
335.23776	2.3
336.23865	1.0
337.25372	1.4
343.24075	2.0
347.23685	2.0
349.25290	3.7
361.25259	2.5
365.24637	1.5
375.26913	2.5
381.07657	1.0
385.28769	1.0
387.26962	1.0
401.28305	1.0
403.29996	4.8
427.30121	1.5
437.30399	0.9
485.33832	0.9
487.56680	0.9
491.34900	4.1
503.35114	1.1
509.34439	1.1
527.35150	1.2
547.39258	3.4
565.40259	20.4
566.40833	1.2
568.39130	1.2
583.41370	100.0
584.41803	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4131
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	4.0
55.01863	2.1
55.05501	21.3
55.51792	1.6
57.03419	4.1
57.07059	7.3
59.04988	2.1
63.02372	1.7
65.03918	3.2
67.05492	38.7
69.03424	5.3
69.07055	23.4
69.28667	8.1
69.29090	13.5
70.06583	2.0
71.04966	2.3
71.08614	3.3
77.24365	1.9
79.05476	38.7
81.07039	43.7
83.04964	8.0
83.08606	13.2
85.06538	4.0
91.05463	43.9
93.07025	58.5
95.04934	10.6
95.08585	40.7
97.06516	7.7
97.10136	3.2
98.21494	3.9
98.98440	2.5
99.08021	1.9
99.21812	2.1
103.05452	2.9
105.04525	1.9
105.07010	55.5
107.04925	2.0
107.08575	38.5
109.06504	6.0
109.10130	20.0
111.08057	2.8
111.11700	2.7
115.05416	4.3
115.42428	1.7
117.06989	19.6
117.47625	1.8
119.08557	61.0
121.06526	3.3
121.10118	39.5
123.08056	8.2
123.11699	8.1
125.09610	4.1
128.06212	6.9
129.06999	12.8
130.07750	2.8
131.08534	28.4
133.10106	40.7
135.08069	4.6
135.11662	17.0
137.09596	5.5
139.11197	3.3
141.07016	5.7
142.07730	9.4
143.08542	26.1
144.09348	3.0
145.10091	31.7
147.08044	6.3
147.11642	21.7
149.09598	5.4
149.13275	6.3
151.07559	7.2
153.07042	3.1
155.00974	1.9
155.08537	11.3
156.09329	10.7
157.10104	34.0
158.10835	4.0
159.08058	4.7
159.11664	25.4
159.12881	3.2
161.09715	2.4
161.13217	9.5
163.11159	6.2
165.06990	2.9
165.09093	6.8
167.08539	6.7
167.10622	13.1
168.09319	4.5
169.10097	18.9
170.10890	5.8
171.11679	22.6
173.09624	2.7
173.13258	16.8
175.11188	2.6
175.14838	11.4
179.08543	5.7
180.09256	4.0
181.10103	10.0
181.12202	5.7
182.10902	6.5
183.11635	16.1
184.12492	2.3
185.13194	12.4
187.11285	2.1
187.14833	8.1
189.12679	1.9
189.16388	2.5
191.14311	5.2
192.09337	3.3
193.10141	5.9
194.10941	3.5
195.11626	12.6
196.12386	4.0
197.13271	14.6
198.14066	1.9
199.11263	2.3
199.14789	13.4
201.16429	3.1
203.14336	5.0
205.10107	2.7
206.10782	3.6
207.11734	9.1
207.13597	2.8
208.12421	3.9
209.13255	16.1
210.13982	3.5
211.14798	9.8
213.12846	2.2
213.16364	5.9
215.14313	2.2
215.17937	4.1
217.15822	3.4
219.11665	4.1
219.13760	1.9
219.31752	2.1
221.13261	8.6
221.15410	15.7
223.14806	11.7
225.16405	3.3
227.14148	2.6
231.11649	2.0
231.17404	3.9
233.13211	6.0
233.15341	4.1
234.14072	2.8
235.14774	7.2
237.16364	3.6
239.17880	3.3
241.19510	6.7
245.13243	4.8
247.14778	4.7
249.16435	5.3
251.18027	4.5
253.19669	2.0
257.18958	5.4
259.14890	3.3
259.20615	8.1
261.16360	4.7
262.16837	2.1
263.17941	3.2
265.19507	3.6
275.17688	4.0
283.20605	7.0
291.21167	2.6
307.22647	14.3
331.24124	2.4
333.24261	5.3
349.24985	4.4
361.25266	3.0
491.34866	3.8
494.82620	2.3
527.18884	2.3
565.41138	10.7
583.42596	100.0
584.41602	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	583.4136
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.8
55.05502	9.7
56.29005	0.9
56.78193	1.1
57.07067	4.4
59.04976	2.8
63.96795	0.9
65.03922	1.5
67.05212	1.1
67.05495	12.9
69.03416	4.5
69.07059	12.7
69.53590	7.7
69.54736	0.8
71.04981	1.2
79.05053	1.2
79.05477	14.5
81.07043	18.7
83.04967	5.0
83.08611	6.0
85.06535	3.5
91.05464	25.7
91.05999	2.0
93.07028	36.3
95.04942	8.5
95.08592	26.0
97.06525	5.2
97.10159	1.3
103.05473	1.5
105.07018	42.2
107.08581	31.5
109.06500	6.7
109.10139	12.7
111.08060	2.8
115.05436	3.0
116.06207	2.0
117.06992	9.8
119.08560	46.5
121.06483	2.0
121.10124	34.8
123.08054	11.0
123.11694	4.5
125.09641	2.0
128.06212	6.8
129.06982	10.7
130.07764	3.5
131.08556	22.6
133.06467	1.8
133.10117	26.3
135.08051	4.5
135.11684	10.3
137.09608	5.8
139.11169	2.1
141.06935	5.5
142.07756	13.0
143.08531	22.2
144.09373	4.8
145.10091	34.2
147.08044	5.2
147.11667	12.3
148.71269	0.9
149.09602	7.8
149.13216	2.9
151.07529	11.6
153.06969	3.4
153.09081	1.0
154.07716	1.2
155.08545	10.4
155.10643	2.9
156.09332	10.1
157.10097	31.0
158.10881	3.3
159.08034	2.8
159.10408	1.9
159.11664	17.1
161.09630	4.3
161.13252	3.9
163.11139	5.5
165.06987	3.2
165.09062	9.1
166.07742	2.2
167.08575	5.6
167.10657	23.5
168.09338	4.2
168.10883	0.8
169.10115	16.9
170.10901	5.6
171.11658	17.6
172.12451	2.0
173.09636	3.3
173.13228	13.4
175.11139	2.2
175.14767	7.2
179.08521	8.2
180.09323	3.7
181.10094	9.7
181.12143	4.9
182.10907	5.0
182.33382	0.9
183.11673	13.4
184.12473	2.7
185.09561	1.6
185.13214	10.0
187.11263	2.2
187.14755	5.5
189.12724	6.0
191.14305	4.0
192.09299	2.7
193.10121	9.5
194.10921	4.9
195.11684	11.8
195.13492	1.6
196.12450	4.5
197.09494	1.3
197.13220	16.2
198.13951	1.7
199.14767	8.7
201.12740	2.6
201.16377	4.1
203.08533	1.2
203.14313	5.7
205.10034	2.5
205.82576	1.2
206.10867	3.7
207.11716	11.7
207.13843	4.2
208.12427	3.5
209.13245	15.9
209.15260	1.4
210.14073	2.1
211.11212	1.2
211.14771	7.7
213.12837	1.5
213.16432	4.5
215.10648	1.0
215.14316	3.3
217.10028	1.8
217.15958	5.3
219.11694	3.9
219.17517	1.7
220.12428	3.9
221.13226	10.0
221.15385	21.6
222.13927	2.7
223.14754	10.0
224.15565	1.3
225.12761	1.6
225.16341	5.5
227.14429	1.9
229.10152	1.7
229.15961	1.5
230.10870	1.6
231.11671	3.2
231.17393	3.1
232.12488	2.6
233.13226	5.1
233.15399	7.6
234.13997	3.0
235.14790	8.3
235.16797	1.5
236.15416	1.6
237.12624	1.8
237.16302	5.7
239.14148	1.4
239.17918	2.4
241.15872	1.7
243.11617	2.0
245.13150	5.1
246.14095	3.4
247.14743	5.4
247.17009	1.3
248.15569	1.8
249.16330	5.9
250.17178	1.4
251.17952	4.7
253.19592	2.5
255.17363	1.6
257.19028	3.8
258.13943	1.1
259.14764	3.2
260.15610	2.2
261.16278	5.2
262.17203	1.5
263.17883	4.5
265.19571	4.6
268.18094	1.1
269.18948	4.1
270.14365	1.1
271.14691	1.3
273.16397	3.8
274.17105	1.5
275.17819	6.5
277.19522	2.7
279.20990	1.1
281.19077	2.2
283.14871	1.1
283.20544	6.9
287.17831	2.7
287.20581	1.3
289.19498	2.8
291.21191	1.5
293.18976	2.2
295.20596	1.9
297.22229	1.7
299.20316	1.4
301.19293	1.4
303.21146	1.7
307.20746	1.6
309.21896	1.0
315.21088	1.7
316.21558	1.2
319.20615	1.0
323.23944	1.1
329.22659	1.4
331.24197	2.2
335.23624	2.3
337.25107	1.2
343.23904	1.3
345.21997	1.2
347.23563	3.1
349.25204	5.0
351.23395	1.3
357.25821	2.0
359.23422	1.4
361.25476	1.9
365.24918	1.4
375.26813	3.3
385.28452	1.1
399.27017	1.3
403.29865	4.5
427.29999	1.2
491.35239	1.6
547.39270	3.6
565.40387	18.8
583.41400	100.0
584.41772	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	583.4135
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.4
55.05503	12.6
57.07064	11.3
59.04988	4.0
61.84824	1.2
65.03906	1.8
67.05497	21.6
69.03410	7.2
69.07064	11.4
70.55222	1.9
70.55576	3.9
71.04990	1.6
72.22070	1.1
77.03888	1.3
79.05042	2.2
79.05477	22.4
81.03416	1.6
81.07043	24.3
83.04950	6.1
83.08594	9.4
85.06518	5.4
91.04893	1.3
91.05465	38.4
93.07024	47.4
95.04945	8.7
95.08587	30.7
96.45419	1.1
97.06501	3.2
97.10130	1.4
98.21425	1.5
103.05476	2.8
105.07008	56.7
107.08572	36.6
109.06519	6.7
109.10136	15.9
111.08083	1.4
115.05442	3.6
116.06201	1.8
117.06993	12.8
119.08564	63.8
121.06480	4.1
121.10119	38.2
122.07204	1.4
123.08046	14.5
123.11684	5.8
125.05912	2.7
125.09618	2.2
128.06206	11.0
129.06963	11.7
130.07773	5.1
131.08546	29.1
132.09288	2.0
133.06525	2.1
133.10110	29.4
135.08044	6.2
135.11679	12.2
137.09576	9.0
139.11153	2.3
141.06961	7.1
142.07761	17.2
143.08539	34.2
144.09309	5.6
145.10107	45.4
145.11259	2.4
147.08020	13.4
147.11668	14.0
149.09612	4.8
149.13239	4.9
151.07478	9.3
151.11069	2.1
153.06969	4.4
154.07791	3.5
155.08511	16.8
156.09319	15.6
157.10104	44.2
158.10902	7.5
159.08052	3.1
159.11661	21.0
161.09578	6.2
161.13231	7.2
163.11160	7.2
165.06979	6.3
165.09085	29.2
166.07761	3.6
167.08536	9.4
167.10652	8.0
168.09335	6.4
169.10101	25.0
170.10887	7.7
171.11662	28.1
173.09576	1.6
173.13219	19.2
175.11223	2.9
175.14789	6.6
179.08484	12.7
180.09297	5.4
181.10092	12.8
181.12218	5.4
182.10873	6.4
183.11665	21.2
184.12436	4.7
185.09560	2.0
185.13229	13.1
187.14827	5.6
189.12730	4.9
191.14253	6.8
192.09309	3.6
193.10095	12.4
194.10869	10.1
195.11691	15.8
196.12436	5.2
197.13219	21.0
199.11157	1.3
199.14825	14.9
201.16295	1.6
203.14247	11.7
204.09338	1.5
205.10202	2.8
205.15897	2.1
206.10915	4.9
207.11678	17.8
207.13789	5.8
208.12376	6.9
209.13208	22.3
209.15063	2.0
210.13966	4.2
211.11278	1.9
211.14719	9.2
213.12833	1.8
213.16388	4.9
215.17926	1.5
217.10034	2.3
217.15846	9.1
218.10893	3.2
219.11679	8.2
220.12421	6.2
221.13229	15.8
221.15369	53.1
222.13849	3.0
223.14787	13.3
225.16351	6.7
227.14255	2.8
227.17976	1.5
229.10175	2.2
230.10915	1.7
231.11722	3.5
231.17401	3.4
232.12398	3.6
233.13222	9.0
233.15359	3.8
234.13889	3.6
235.14813	10.6
236.15565	3.1
237.16405	9.4
239.14333	2.2
239.17975	3.0
243.11687	2.5
243.17477	2.3
244.12582	3.2
245.13213	4.7
246.14059	3.9
247.14688	9.3
247.17024	1.8
248.15608	2.2
249.16365	9.3
250.17049	2.0
251.17938	4.6
253.19537	2.2
255.17566	1.5
257.13190	1.8
257.18933	6.7
258.13986	3.6
259.14819	3.2
260.15491	4.5
261.16367	7.8
262.17130	2.8
263.17914	5.6
265.19489	5.6
267.17447	2.1
269.18933	3.1
271.14746	2.6
271.20435	1.8
273.16232	4.2
275.17755	8.5
277.16452	1.3
277.19464	4.4
279.20920	2.5
281.18805	2.9
283.20502	14.9
287.17535	2.2
289.19543	3.9
293.19000	2.5
295.20468	4.5
297.22162	4.7
299.20496	2.0
300.20874	2.0
301.19287	3.0
309.21951	1.5
311.17786	1.4
313.21939	1.7
315.20929	2.4
316.21576	1.5
331.24121	6.4
333.21924	2.1
343.24332	2.0
347.23856	1.9
349.25241	7.3
357.25760	1.7
361.25107	2.3
365.24945	2.0
375.26926	6.2
403.30032	4.8
411.27789	1.4
491.35077	5.5
503.35150	3.3
547.39447	2.5
565.40332	19.0
570.45868	1.4
583.41400	100.0
584.41333	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	583.4134
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66763	1.5
53.03922	2.1
55.01857	1.6
55.05503	11.1
57.03419	2.2
57.07071	5.5
59.04972	2.2
65.03906	1.4
67.05490	18.2
69.03417	5.4
69.07053	11.8
69.57325	2.4
69.57720	7.8
76.77991	1.2
78.87611	1.0
79.05479	19.6
81.06573	1.4
81.07049	23.2
83.04964	3.9
83.08591	5.0
84.06528	1.3
85.06517	2.3
91.05465	24.4
93.06454	2.2
93.07030	34.4
94.07359	1.1
95.04935	7.6
95.08588	24.5
97.06528	2.4
97.10157	2.6
98.21471	1.7
103.05450	2.2
103.11887	1.1
105.07011	38.4
107.04890	1.4
107.08562	25.0
107.09277	1.6
109.06514	3.7
109.10139	12.6
111.08041	1.9
115.05417	2.5
117.07008	10.2
119.08556	41.4
121.06487	2.9
121.10117	25.5
123.08031	11.7
123.11682	4.1
123.71058	1.3
125.06022	1.4
125.09580	1.3
128.06168	5.3
129.07008	11.1
130.07770	3.3
131.08543	20.5
133.06410	1.7
133.10104	22.8
135.07986	5.7
135.11665	6.9
137.09613	7.5
141.06955	4.7
141.36935	1.3
142.07765	11.2
143.08542	20.3
144.09270	3.9
145.09019	2.0
145.10097	27.6
147.08018	9.8
147.11659	12.4
149.09581	2.9
149.13242	1.9
151.07529	10.9
155.08539	8.2
156.09331	11.9
157.10103	29.7
158.10847	3.9
159.08018	1.8
159.11661	16.1
161.09633	2.8
161.13264	6.8
163.11191	2.4
165.06934	2.3
165.09071	18.7
167.08516	3.7
167.10693	5.7
168.09311	2.9
169.10104	14.1
170.10858	6.2
171.08191	1.3
171.11659	22.1
173.09613	2.9
173.13245	11.3
175.11052	2.7
175.14818	6.0
179.08517	5.4
180.09294	2.6
181.10065	8.3
181.12135	2.4
182.10884	4.2
183.11678	15.8
184.12444	3.5
185.09607	1.4
185.13217	12.6
187.11166	1.6
187.14825	5.8
189.12723	3.0
191.14246	3.3
192.09378	1.8
193.10094	7.0
194.10844	5.3
195.11667	11.8
196.12483	2.2
197.13229	11.8
199.11150	1.6
199.14799	8.0
201.16353	1.8
203.14258	9.0
204.09279	1.1
205.10164	2.0
206.10901	2.8
207.11638	9.4
207.13571	2.2
208.12431	4.8
209.13225	14.1
210.13936	1.7
211.11121	1.3
211.14729	7.0
213.16368	3.3
215.14183	1.7
215.17990	1.2
217.15808	4.7
219.11655	3.9
220.12393	2.4
221.13210	8.3
221.15340	37.4
222.13873	1.9
223.14795	6.8
225.16306	3.7
227.14236	1.5
229.85405	1.3
230.10907	1.4
231.11600	2.8
231.17323	2.0
232.12523	2.7
233.13190	5.7
233.15341	3.0
234.13969	2.0
235.14760	6.7
236.15321	2.2
237.16371	4.6
239.17950	2.8
241.19484	1.6
243.11934	1.2
245.13203	2.0
246.13892	2.0
247.14767	3.3
249.16333	5.3
251.17932	3.4
257.13342	1.3
257.18942	4.8
259.14685	3.4
259.20621	2.6
260.15579	2.2
261.16315	4.8
262.04071	1.2
262.17163	1.3
263.17957	4.0
265.19427	3.4
269.18979	1.2
271.14786	1.5
271.20468	2.1
273.16299	2.0
275.17798	5.1
277.19482	2.4
279.20773	1.2
281.18948	1.6
283.20529	8.6
287.20212	2.2
289.19235	1.6
295.20703	2.5
297.21973	2.8
300.20749	1.5
301.19293	1.6
307.22903	2.7
331.24200	3.0
347.23495	1.5
349.25296	2.7
357.25363	1.3
373.63821	1.5
375.26807	4.2
403.29810	5.0
469.55405	1.3
491.34753	1.7
503.34921	2.8
547.39227	2.2
565.40210	19.5
566.41193	1.4
570.89984	1.2
583.41376	100.0
584.41711	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.3286
Annotation	Unknow
Peak:m/z	Relative Intensity
68.05028	0.5
70.06580	58.3
70.68328	0.3
70.68686	0.9
84.07656	0.3
84.08105	1.6
95.92827	0.3
98.21318	0.3
100.07703	0.2
107.04931	3.9
126.09116	1.1
126.96953	0.2
129.27100	0.3
136.11217	1.1
145.06512	0.5
148.50301	0.3
150.12811	0.6
164.91354	0.3
170.27739	0.3
177.64627	0.3
244.16977	0.5
256.16901	5.0
274.17972	100.0
275.18185	1.3
286.55441	0.3
324.59442	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4134
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	4.9
55.05498	17.7
57.07054	9.5
59.04982	3.5
65.03934	2.7
67.05163	2.2
67.05490	25.8
69.03404	9.2
69.07058	23.8
69.34923	5.5
69.35352	8.5
71.04958	3.2
79.05476	29.7
81.07040	35.0
83.04964	9.4
83.08604	10.4
85.06528	6.9
87.04473	1.9
91.04874	2.2
91.05457	47.1
93.07024	63.3
95.04939	11.7
95.08586	35.2
97.06513	7.4
98.21456	1.9
99.08048	2.4
103.05472	2.4
105.04532	1.6
105.07006	80.2
106.07303	1.7
107.04940	1.8
107.08572	49.3
109.06476	11.1
109.10128	24.2
109.36184	1.1
111.08046	3.4
113.09638	3.6
115.05393	6.1
116.06195	1.9
117.06982	17.0
119.08555	81.3
121.06459	4.3
121.10117	60.9
123.08053	15.0
123.11690	7.6
125.09596	5.6
128.06207	10.4
129.06979	20.6
130.07762	8.4
131.08539	36.9
133.06535	2.7
133.10098	46.4
135.08040	9.4
135.11670	18.3
137.05832	1.4
137.09602	11.2
137.13210	1.6
139.11176	4.1
141.06967	8.8
142.07756	24.1
143.08536	46.4
144.09373	7.7
145.06430	2.4
145.10088	53.9
146.10725	1.3
147.07991	9.3
147.11644	21.6
149.09587	10.1
149.13243	4.0
151.07512	6.0
151.11180	3.5
153.06998	4.3
154.07751	3.0
155.08522	18.9
155.10660	5.4
156.09338	16.8
157.10103	62.1
158.10846	9.0
159.07974	6.4
159.11662	31.7
159.12961	1.5
160.12447	1.6
161.09529	7.3
161.13243	8.8
163.11139	7.2
163.14844	1.7
165.06987	5.9
165.09090	15.5
166.07750	2.6
167.08589	9.2
167.10640	43.1
168.09317	8.7
168.85735	1.2
169.10088	32.4
170.10899	9.3
171.08087	2.7
171.11642	31.7
172.12360	3.1
173.09607	4.2
173.13222	27.5
175.11143	4.9
175.14775	11.1
177.12721	1.8
178.07784	1.9
179.08514	15.4
180.09329	5.7
181.10086	16.6
181.12143	6.8
182.10828	8.2
183.11647	30.3
184.12418	7.1
185.09570	4.2
185.13237	15.6
187.11098	4.1
187.14777	7.8
189.12752	6.1
191.08569	1.9
191.14279	10.1
192.09308	4.2
193.10063	15.3
194.10876	10.3
195.11668	24.3
195.13445	2.5
196.12405	6.0
197.13208	21.2
198.14052	2.7
199.11125	2.4
199.14795	27.8
200.12111	1.3
201.12758	2.6
201.16312	6.5
203.08600	2.0
203.14258	8.0
203.53558	1.2
204.09390	1.8
205.10124	4.9
205.15923	2.7
206.10857	8.3
207.11658	22.3
207.13737	3.9
208.12454	9.5
209.13231	27.4
209.15138	1.7
210.13817	3.4
211.11180	3.2
211.14810	15.8
213.12686	1.6
213.16367	4.9
215.14322	5.3
217.10156	3.7
217.15828	21.8
218.10887	3.1
219.11621	6.8
219.17401	2.2
220.12437	7.1
221.13229	18.0
221.15373	25.2
222.13943	3.9
223.14787	16.8
224.15442	2.2
225.12689	2.5
225.16371	5.7
227.14323	2.9
227.17863	2.1
229.10046	1.5
229.15862	1.9
230.10959	2.5
231.11678	5.7
231.17479	2.0
232.12468	5.1
233.13187	11.1
233.15381	17.2
234.14009	3.6
235.14742	11.5
236.15474	2.3
237.16379	9.3
239.14247	2.5
239.17908	4.6
241.19582	2.4
243.11577	2.2
245.13216	7.7
246.14087	5.3
247.14813	9.7
247.16998	2.2
248.15536	2.9
249.16325	10.0
250.16966	2.2
251.14340	1.5
251.17986	6.2
253.19417	1.7
255.17415	2.9
257.13260	2.0
257.18985	6.9
257.70163	1.3
258.14133	1.7
259.14767	5.6
260.15540	4.2
261.16348	8.2
262.17093	2.5
263.17825	6.7
265.16449	1.4
265.19394	7.3
265.22101	1.4
267.17419	2.4
267.21085	1.4
269.13290	2.0
269.18967	5.0
270.13892	1.4
271.14783	3.8
271.20535	1.9
272.15463	1.7
273.16040	6.0
273.18839	2.4
274.17105	1.8
275.17810	8.7
276.18616	1.6
277.19510	3.9
279.17563	1.7
281.18982	3.2
283.20435	16.5
285.16119	3.4
287.17557	2.2
287.20276	2.2
289.19415	3.4
290.20386	1.6
291.21124	1.6
293.19009	2.6
295.20563	3.9
299.20056	3.6
301.19406	3.9
305.18951	1.6
309.21909	2.0
311.20313	2.0
313.19327	2.7
317.22397	1.4
319.20694	1.6
329.22818	1.5
331.24222	4.6
333.22192	2.2
341.22614	1.9
343.24167	2.4
347.23453	2.0
349.25299	9.0
359.23380	2.1
361.25092	3.5
365.24872	2.1
367.88919	1.5
375.26758	2.6
383.27209	1.5
401.28448	2.7
403.29999	2.7
427.29904	2.5
491.34985	4.6
526.02386	1.4
547.39331	4.3
565.40308	18.0
566.40460	1.7
583.41345	100.0
584.42065	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.4194
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.9
55.01857	2.1
55.05258	0.6
55.05505	8.7
57.03438	2.9
57.07057	1.1
65.03894	0.5
67.05498	19.6
69.03391	0.7
69.06718	0.8
69.07064	11.0
69.61921	2.1
69.62352	1.7
71.04984	1.4
79.05486	18.3
79.05953	0.9
81.03391	0.7
81.06570	1.1
81.07052	20.9
83.04959	1.0
83.08610	4.7
85.06525	1.5
91.05473	15.8
93.07033	18.4
95.04939	2.5
95.08597	17.2
97.06520	2.2
97.10146	1.7
99.08089	0.9
103.05455	0.7
105.07018	13.0
107.04965	1.2
107.08578	12.5
109.06506	1.5
109.10143	6.7
111.08078	1.2
115.05450	1.4
117.07006	8.3
119.08575	13.1
121.06532	0.6
121.10136	8.9
123.08048	1.2
123.11700	2.3
125.09675	0.7
128.06223	1.6
129.05505	1.0
129.07005	8.3
131.08543	11.4
133.10121	10.6
133.74527	0.5
135.08018	3.9
135.11694	4.9
137.09622	0.8
141.06956	3.4
142.07796	1.5
143.08551	9.0
145.06415	0.6
145.10106	11.4
147.08086	0.7
147.11684	5.5
149.09587	2.8
149.13245	2.0
151.11198	0.8
153.06989	1.1
154.07687	0.7
155.08553	7.3
156.09305	1.2
157.10110	10.6
159.11662	7.5
159.12825	0.7
161.09610	1.0
161.13182	2.9
163.11215	0.8
163.14944	0.5
165.07040	0.9
166.07826	0.8
167.08519	4.4
168.09256	1.3
169.10103	9.6
170.10867	0.7
171.11658	9.0
173.09598	0.9
173.13223	5.3
175.11273	1.1
175.14767	2.6
177.86269	0.5
179.08569	1.9
180.09373	1.3
181.10132	4.8
181.11714	0.5
181.12273	0.5
181.94672	0.5
182.10872	1.0
183.11673	10.2
183.13194	0.8
185.13235	6.2
187.11212	1.0
187.14804	2.3
189.16405	1.2
191.14290	6.3
192.09496	0.7
193.10120	2.5
194.10915	0.5
195.11670	5.9
196.12428	0.7
197.13246	6.7
199.11058	0.5
199.14833	5.1
201.12781	1.2
201.16426	2.3
201.77103	0.5
205.10162	1.1
205.15865	0.6
207.11697	2.1
208.12505	0.7
209.13271	5.5
210.13814	0.6
211.14792	6.2
213.14700	0.6
213.16429	3.5
216.70334	0.5
219.11745	0.8
221.13261	2.1
223.14803	4.0
225.16400	3.1
227.17989	1.5
229.15880	2.4
231.17680	0.6
233.13269	1.2
235.14717	2.7
237.16406	3.4
239.17929	2.1
241.19579	0.9
247.14705	0.9
247.16960	1.4
249.16440	1.5
251.17979	1.7
253.19554	1.3
261.16223	0.6
261.22134	0.7
263.17990	1.1
265.19537	0.8
267.17413	0.5
267.21222	1.0
275.20218	1.4
277.19495	1.2
279.21173	0.8
281.19116	0.6
281.22757	0.6
283.20474	0.9
285.21994	0.6
290.20499	0.5
293.22714	0.6
295.20508	0.9
297.18686	0.6
309.22025	0.8
311.23450	0.7
313.21539	1.2
321.21921	0.7
323.23889	0.9
325.21429	0.6
335.25989	1.1
337.21625	0.8
337.25281	1.0
349.25235	0.8
351.26788	1.1
353.24551	0.6
355.25955	0.9
363.26578	0.7
365.28607	0.9
377.28104	0.8
389.28302	0.6
391.30258	0.8
401.28473	0.7
419.29279	0.7
471.36377	1.8
473.32669	0.9
483.34888	1.1
489.37299	8.6
499.34470	0.6
507.38699	2.7
511.34036	2.3
512.34930	1.0
513.36249	0.7
525.39258	0.7
545.40033	0.8
563.40900	8.8
581.41949	100.0
582.42419	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.4193
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.1
55.01860	1.4
55.05500	10.3
57.03433	2.7
57.07067	2.3
65.03938	1.1
67.05494	18.1
69.03416	0.7
69.07054	10.8
71.04980	1.4
71.63296	0.4
74.53413	0.4
79.05480	13.5
81.03387	0.8
81.07043	19.8
82.32102	0.4
83.04963	1.6
83.08608	6.3
85.02859	0.4
85.06526	1.0
91.05463	11.9
93.07026	16.3
95.04951	2.5
95.08593	15.6
95.09209	0.5
97.06513	2.9
97.10135	2.3
99.08099	0.9
101.54284	0.4
103.05434	0.7
105.07011	15.1
107.04967	0.5
107.08574	11.7
107.09278	0.8
109.06526	1.6
109.10139	7.1
111.08054	1.1
115.05443	1.1
116.06283	0.4
117.06992	8.0
119.08560	14.6
121.06500	0.7
121.10124	9.4
121.10989	0.5
123.08055	1.4
123.11696	2.2
125.09615	1.6
128.06207	3.0
129.05533	0.7
129.06995	9.0
130.07806	0.4
131.07573	0.7
131.08543	11.4
131.09488	0.8
133.06483	0.5
133.10107	12.2
135.08031	1.1
135.11664	4.5
135.12582	0.6
137.09624	1.0
137.13234	0.6
139.11188	1.1
141.06963	4.9
142.07727	3.1
143.08533	12.9
144.09326	1.1
145.06538	0.5
145.10094	12.2
147.08014	0.6
147.11662	6.1
149.09627	2.4
149.13222	2.3
151.11086	0.4
153.07033	1.1
153.12717	0.5
154.07736	1.3
155.08531	9.5
156.09392	2.5
157.10100	14.8
158.10878	0.7
159.08057	0.9
159.11665	8.5
161.09598	0.8
161.13182	2.4
161.86708	0.4
163.11168	1.2
163.14796	1.0
165.07065	1.4
166.07776	0.7
167.08545	4.9
167.10648	2.1
168.09355	1.8
169.10095	11.6
170.10913	1.3
171.10266	0.4
171.11661	11.8
171.13101	0.7
172.08752	0.4
172.12462	0.5
173.13242	5.8
175.14809	2.3
177.12700	0.8
177.16399	0.6
179.08522	4.0
179.14325	0.5
180.09369	1.4
181.10127	7.1
181.12198	1.1
182.10980	1.5
183.11661	12.4
184.12421	0.8
185.09598	0.7
185.11615	0.7
185.13206	7.4
187.14769	3.5
189.12880	0.7
189.16357	0.9
191.08606	0.4
191.14296	0.6
192.09300	0.9
193.10118	3.7
194.10941	1.7
195.11665	8.5
195.13528	0.3
196.12480	1.2
197.13232	9.9
197.14993	0.6
199.11214	0.5
199.13283	0.5
199.14787	6.3
201.12749	1.0
201.16429	1.7
203.14354	0.6
203.17999	0.6
205.10150	1.1
205.15875	0.7
206.11012	0.8
207.11655	4.8
207.13486	0.6
208.12485	1.0
209.13239	7.6
210.13945	0.6
211.11206	0.4
211.14804	6.1
213.12904	0.7
213.14703	0.6
213.16400	3.7
215.14342	0.8
215.17953	0.7
217.15855	0.7
219.11742	1.9
219.17476	0.4
220.12376	0.8
221.13243	4.2
221.15393	1.4
222.14099	0.4
223.11259	0.5
223.14804	5.8
225.12816	0.6
225.16393	4.8
227.14415	0.5
227.18044	1.8
229.15875	0.8
229.19670	0.5
231.17592	0.8
232.12630	0.6
233.13226	2.2
233.15347	0.9
235.14735	3.5
237.16368	4.0
239.17911	3.4
241.15791	0.6
241.19673	1.0
245.13261	0.7
247.14867	1.2
247.17036	0.5
249.16396	2.8
251.14383	0.4
251.17886	2.7
253.15887	0.7
253.19482	1.3
255.17419	0.5
257.19022	0.6
259.14807	0.9
261.16275	1.1
263.17905	1.9
265.19525	1.7
267.17432	0.8
267.21088	1.0
269.18976	0.7
271.20520	0.6
273.16330	0.8
275.17642	0.9
275.20148	1.3
277.19489	1.3
279.17377	0.7
279.21204	0.6
281.19006	0.9
281.22626	0.5
283.16977	0.5
283.20587	1.0
289.19147	0.5
291.21045	0.8
293.18976	0.5
293.22424	0.6
295.20526	1.0
297.21970	0.5
299.20096	1.0
305.22400	0.7
307.20511	1.3
307.23798	0.5
309.22110	1.1
311.20245	0.9
311.23419	0.6
313.21747	0.5
317.22345	0.5
321.22168	1.1
323.20273	0.5
323.23779	1.3
327.23096	0.7
333.22015	0.8
335.23459	0.6
337.25186	0.9
339.23273	0.6
347.27219	0.7
349.25272	1.1
351.23007	0.7
351.26871	1.1
353.24573	0.9
353.28333	0.5
363.26871	0.7
365.24402	0.6
365.28372	1.1
367.26389	0.5
373.24875	0.5
377.28461	1.0
379.26141	1.0
389.28036	0.5
391.25650	0.7
391.30182	1.3
395.27496	0.6
401.28275	0.7
403.29941	0.8
405.31674	0.6
407.29401	0.9
419.29404	1.4
421.31094	0.8
433.30203	0.6
471.30518	0.5
471.36172	2.7
473.32944	0.8
483.35083	0.6
487.34369	0.5
489.37241	11.6
493.32880	0.6
499.34039	0.5
507.38251	4.9
511.34299	0.8
525.39001	0.5
527.38947	0.5
545.39716	1.3
563.40851	13.7
581.41870	100.0
582.42047	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.2519
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78556	0.1
55.69374	0.1
58.21797	0.1
59.04975	0.1
62.06070	0.4
69.03429	0.3
70.06570	0.1
71.36356	0.3
79.05487	0.3
81.07059	0.2
93.07024	0.2
97.02883	3.7
107.04960	1.1
119.03547	0.4
121.06464	0.2
136.06171	100.0
136.26170	0.1
137.04570	0.6
137.06653	0.8
149.05995	0.3
178.07214	0.2
254.24748	1.1
278.74255	0.2
348.06998	33.0
348.54184	0.1
349.07278	0.6
368.24429	0.3
376.41180	0.2
477.95313	0.1
580.38446	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.42
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01846	6.1
55.05505	22.0
57.03424	6.3
57.07061	3.5
67.05500	46.1
69.07059	25.4
70.54362	3.7
71.04986	5.4
71.63692	4.7
71.64049	3.3
75.86809	3.1
79.05488	30.9
80.63772	3.7
81.07049	51.3
83.04962	3.4
83.08604	17.0
85.06553	3.4
91.05470	16.0
93.07034	43.0
95.08048	4.3
95.08600	62.5
97.06529	5.7
97.10168	6.9
98.06207	3.6
99.04456	5.4
100.76486	3.3
105.07007	13.4
107.04963	5.0
107.08574	30.8
109.10140	16.3
111.08080	3.6
117.07056	6.3
119.08575	12.6
121.06484	6.1
121.10136	19.0
123.08041	3.0
123.11712	6.8
129.93991	3.3
130.07753	3.6
133.10104	7.4
135.11668	47.7
145.10114	24.7
147.11699	5.1
163.11166	62.7
181.12195	9.7
227.12766	79.5
234.83517	3.0
245.22557	3.5
283.15366	96.8
308.04770	3.3
337.27325	100.0
366.63489	4.3
379.00323	3.4
391.75577	3.5
465.35010	4.3
545.31506	3.6
545.38269	89.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.3979
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74067	2.0
53.03930	3.9
55.05502	16.9
57.03431	2.5
57.07058	4.5
59.71546	1.6
60.58742	1.6
65.03913	3.2
67.05492	19.6
67.57260	1.5
69.03415	3.8
69.07059	15.0
69.76514	12.6
71.41344	1.7
79.05481	20.3
80.89091	1.8
81.03408	2.6
81.07034	25.6
83.04946	4.9
83.08605	10.3
91.05462	29.1
93.07024	33.4
95.04935	9.8
95.08588	25.6
97.06487	10.3
97.10131	2.3
98.98463	3.5
103.05478	2.6
105.07010	40.8
107.08568	25.3
109.06496	8.1
109.10136	13.7
111.08037	2.6
115.05445	2.3
117.06997	12.4
119.08549	40.9
121.06462	5.5
121.10126	35.4
123.08015	10.8
123.11666	3.6
125.05930	2.4
125.09626	3.8
128.06180	4.8
129.06985	10.0
130.07732	4.8
131.08528	25.7
133.06419	2.5
133.10094	31.6
135.08044	7.2
135.11658	11.9
137.09657	4.5
139.11180	4.2
140.51350	2.3
141.06934	5.1
142.07771	9.3
143.08545	20.3
144.09358	2.5
145.10104	30.9
147.08011	12.2
147.11667	12.0
149.09586	12.4
151.07532	9.7
151.11159	2.7
153.06917	2.0
153.09122	1.9
154.07655	1.9
155.01007	3.4
155.08508	8.0
155.10628	2.0
156.09352	5.8
157.10095	26.3
158.10860	5.6
159.07996	5.8
159.11656	15.9
161.09550	6.2
161.13220	4.8
163.11160	4.3
165.06960	5.6
165.09087	12.2
166.07784	2.2
167.08527	4.6
167.10640	26.6
168.09262	4.3
169.10089	13.0
170.10886	5.4
171.11639	17.5
173.09586	6.6
173.13237	15.3
175.14714	5.8
179.08536	8.3
179.10573	1.9
180.09299	5.6
181.10112	8.5
181.12283	4.4
182.10905	3.8
183.11655	17.1
184.12354	2.5
185.09673	2.8
185.13268	12.0
187.07622	2.1
187.11171	3.7
187.14812	6.2
188.92421	3.7
189.12767	3.5
191.14342	3.0
193.10109	5.1
194.10866	4.3
195.11700	13.8
195.13333	2.2
196.12479	5.9
197.13251	10.8
199.11227	2.3
199.14752	9.3
201.12717	2.6
201.16377	3.0
203.14304	4.3
206.10884	3.8
207.11639	9.0
207.13629	4.3
209.13173	12.1
210.13942	2.0
211.11028	2.3
211.14787	7.3
213.12740	3.5
213.16248	3.2
217.10086	2.1
219.11589	3.6
220.12520	2.7
221.13190	10.0
221.15367	32.3
223.14774	8.5
225.16307	4.2
227.14462	2.3
231.11655	3.9
231.13780	2.4
232.12401	3.1
233.13248	4.6
233.15350	7.1
235.11263	3.6
235.14713	4.5
237.16370	5.1
239.17860	3.8
241.19278	2.3
242.17645	2.2
245.13194	2.6
247.14766	4.7
247.16994	2.3
249.16434	3.2
251.17755	2.6
257.13199	2.5
257.19009	4.7
258.13882	2.4
259.14685	3.9
261.16229	3.3
263.17932	3.1
265.19513	2.4
269.19110	2.3
275.17889	3.2
283.14990	2.0
285.16278	2.4
289.19327	2.3
291.21121	2.1
299.20071	3.3
312.20642	5.2
339.28763	3.3
347.23795	2.2
361.25449	2.5
373.25354	4.6
425.28366	2.5
537.45599	3.2
540.20782	3.0
563.38812	16.9
581.39960	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	579.2815
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.9
55.01855	3.4
55.05250	1.1
55.05497	10.9
57.03425	6.8
57.07067	4.6
65.03921	1.5
67.05493	62.3
69.03407	3.8
69.07055	12.8
69.97340	4.9
71.04964	1.8
71.08612	1.5
73.02895	3.6
79.05476	35.3
81.03413	6.9
81.07041	75.0
83.04962	2.1
83.08591	7.9
85.02901	2.9
85.06529	2.7
85.10165	1.2
89.82615	0.8
91.05457	18.1
93.07027	45.2
95.04964	3.0
95.08588	58.6
97.02858	1.8
97.06537	4.1
97.10158	4.9
98.98444	17.3
99.04432	2.7
99.08077	1.7
105.07008	17.4
107.04929	1.5
107.08573	31.4
107.19661	0.8
109.02869	7.2
109.06464	2.0
109.10138	34.4
110.03642	3.0
111.04425	3.9
111.08070	2.7
113.09631	1.4
117.06995	7.9
119.07770	1.5
119.08558	16.1
121.10122	30.8
123.08055	1.4
123.11687	17.8
125.09635	2.1
127.03875	3.1
129.06970	2.1
131.08542	19.7
132.99478	1.4
133.10110	16.0
135.08047	1.3
135.11674	23.7
136.06133	0.8
137.09596	2.6
137.13234	6.0
139.11162	1.9
143.08522	1.0
145.10089	15.3
147.11678	12.5
149.09631	1.7
149.13229	18.8
151.11220	1.4
151.14789	2.7
153.12701	1.1
154.94080	1.3
154.99852	1.6
155.01021	17.6
157.10063	1.0
159.11661	13.1
161.13237	8.9
163.11142	1.0
163.14781	12.7
165.12744	2.3
171.11633	1.5
172.95212	1.9
173.13248	14.6
175.14812	3.1
177.12804	1.3
177.16350	6.0
179.14253	2.0
185.13176	1.2
187.14819	8.4
189.16298	1.1
190.96240	1.2
191.00102	3.9
191.14282	1.7
201.16383	2.8
209.01118	1.0
215.17928	1.7
219.17401	1.8
228.97812	1.2
232.72696	0.8
233.22574	2.2
243.21027	28.1
245.22548	3.2
261.22095	100.0
262.22318	2.4
263.23694	8.0
279.23138	5.0
303.23096	1.8
315.22839	1.4
317.06268	3.1
317.24805	2.0
335.25754	21.7
335.29813	1.1
337.20715	1.0
337.27332	15.9
351.22894	1.3
353.26797	83.4
354.27087	2.7
369.24347	2.1
377.26859	2.1
389.26816	1.2
408.21121	0.9
433.20447	1.8
443.27872	1.7
451.21271	2.2
469.22440	2.0
473.19730	6.1
487.23642	1.2
507.24133	1.4
516.23584	1.2
543.25800	0.9
561.27448	11.5
561.36517	1.3
579.27942	2.8
579.38983	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	579.282
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	2.3
55.01848	2.8
55.05506	12.3
57.03429	6.1
57.07074	5.3
63.55075	0.7
65.03922	2.4
67.05494	69.5
68.47604	0.7
69.03415	2.7
69.06712	1.2
69.07053	14.1
70.01971	3.5
71.04998	3.8
71.08613	1.5
73.02892	3.2
75.04478	0.8
77.03902	1.0
79.05479	33.3
79.77678	0.8
81.03399	8.9
81.07043	77.1
83.04956	2.8
83.08606	9.0
85.02882	4.1
85.06514	3.0
91.05465	19.8
93.07028	46.0
94.07345	0.8
95.04973	3.5
95.08592	65.6
97.02853	1.6
97.06503	3.6
97.10146	5.3
98.98449	38.1
99.04440	4.0
99.08067	2.3
105.04501	1.0
105.07012	18.2
107.04877	0.9
107.08576	33.0
109.02876	10.6
109.06490	1.7
109.10135	32.3
110.03648	3.5
111.04435	3.6
111.08044	1.7
111.11707	1.3
113.09615	1.3
116.99496	1.9
117.06983	8.3
119.08559	15.6
121.06499	1.0
121.10128	30.7
123.08073	1.9
123.11674	16.3
125.09560	0.9
127.03892	4.8
127.11098	0.9
131.08542	18.5
133.10120	15.7
135.07921	0.8
135.11664	24.4
137.09586	2.0
137.13220	8.7
139.11145	2.3
141.12703	1.2
143.08551	1.8
145.10106	16.8
145.61305	0.8
147.11658	13.7
149.09592	1.2
149.13235	17.7
151.11145	1.4
151.14778	3.1
153.12764	1.6
155.01013	39.6
155.08549	0.9
157.10069	1.4
159.08107	1.0
159.11671	13.7
161.13242	9.7
163.11183	1.6
163.14786	14.2
165.12738	2.3
165.16383	1.3
167.14120	0.8
169.10078	1.4
171.11720	1.6
173.13228	14.4
175.14795	5.2
177.12743	1.1
177.16362	5.9
179.14264	3.0
183.11725	0.8
187.14784	7.3
189.16396	1.4
191.00108	3.4
191.14272	1.3
193.15662	0.7
197.13454	0.9
199.14819	0.8
201.16348	3.0
203.17862	0.8
205.15811	2.0
215.17982	1.4
219.17361	2.1
233.18770	0.8
233.22665	3.3
243.02493	0.8
243.21039	29.2
245.22572	5.3
259.20575	1.4
261.22095	100.0
262.22549	1.6
263.23630	13.5
279.23160	2.9
299.05112	0.8
303.23178	2.0
317.06290	7.0
317.24277	1.0
335.25769	12.4
337.27316	29.6
351.22745	0.8
353.26822	88.1
354.26968	1.8
369.24075	1.7
377.26797	1.5
425.28867	2.1
433.20294	0.9
443.27859	1.6
451.21268	2.4
468.09818	0.8
469.22269	1.5
487.23535	2.1
507.23758	1.7
525.24811	1.5
543.26361	1.2
561.27380	9.8
579.27997	3.4
579.39398	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	576.3518
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02351	2.7
53.03933	11.5
55.01851	7.7
55.05500	25.0
57.03415	8.5
57.07067	13.2
58.07380	2.2
65.03376	2.3
65.03908	3.4
67.05492	71.8
67.05856	3.4
69.03418	39.1
69.07056	17.0
71.04971	7.4
71.08620	5.4
71.57700	2.3
71.58093	3.2
73.02902	3.5
79.05476	88.3
81.03403	75.6
81.07040	74.6
83.04955	10.0
83.08621	13.6
85.02879	27.7
85.06505	4.7
85.90349	2.3
91.05459	49.7
93.07022	100.0
95.04946	15.4
95.08587	55.7
97.02876	38.6
97.06490	8.7
97.10120	4.1
99.04435	9.0
99.08068	6.0
103.03943	5.0
103.05434	3.3
105.07012	40.5
107.04927	34.5
107.08568	36.3
108.04443	8.3
109.02869	21.0
109.06503	7.6
109.10129	27.3
111.04414	10.3
111.08057	4.4
115.05356	2.6
117.06986	16.3
119.08542	37.0
119.09340	3.7
121.06480	5.8
121.10117	61.3
123.04390	3.8
123.07970	4.5
123.11697	13.8
125.09591	5.3
127.03889	17.8
127.07507	2.5
128.06227	2.9
129.05443	5.8
129.06978	16.6
130.07819	2.9
131.08536	31.3
133.06485	5.2
133.10095	41.1
135.08014	7.6
135.11659	31.2
137.09581	5.8
137.13261	3.2
139.11215	2.8
141.07039	3.0
143.08536	11.6
145.04935	6.1
145.06396	3.6
145.10081	29.4
147.08093	4.9
147.11653	27.6
149.05998	2.6
149.09613	7.3
149.13237	15.0
151.11137	5.3
155.08510	6.7
157.10068	13.5
159.08057	4.6
159.11656	29.1
161.09618	4.8
161.13235	7.4
163.11163	7.2
163.14825	2.9
165.09111	8.9
169.10110	7.3
171.08086	3.5
171.11673	13.8
173.09567	4.3
173.13219	20.1
175.11182	6.1
175.14804	4.6
177.12727	6.9
179.10637	2.9
179.14310	2.8
181.10068	3.7
183.08047	2.6
183.11653	6.0
185.13188	7.3
187.11130	4.4
187.14780	3.9
189.12762	4.3
189.16264	3.7
193.12238	3.4
195.11693	3.8
197.13138	3.8
199.11024	3.4
201.12685	6.3
203.10678	3.3
205.19417	3.9
211.11218	3.1
211.14749	4.0
213.16321	6.5
215.14413	3.5
215.17921	29.6
217.19505	2.5
219.13673	3.3
225.12767	2.9
227.14447	3.1
227.17924	3.1
231.17401	10.2
233.18938	24.6
237.09499	2.8
239.17863	5.4
239.23636	2.4
243.13782	3.8
245.19019	5.2
247.20355	2.8
249.18451	10.2
251.20119	6.2
255.17368	3.4
257.19019	5.5
261.18500	4.4
263.20053	6.1
269.18927	3.1
275.19992	16.6
287.20135	3.5
289.14380	2.5
291.19482	3.5
299.20038	7.5
305.18848	4.1
313.21515	6.5
313.27228	11.1
314.27750	5.7
315.28027	3.8
317.20959	4.0
323.19977	8.7
341.21042	25.5
359.22089	24.1
360.22156	3.8
377.23196	37.7
395.24161	12.0
435.40176	3.6
576.48407	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	575.6116
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	39.3
57.07067	73.1
67.05499	45.9
69.07059	80.2
71.04980	3.0
71.08624	59.2
71.63654	5.1
76.77290	2.3
79.05453	9.3
81.07047	86.6
83.08608	58.2
85.10178	38.6
87.04431	10.3
87.31010	2.6
91.05399	3.0
93.07013	9.6
95.08594	100.0
96.08904	2.5
97.10156	55.4
99.11695	3.7
107.08561	6.1
109.09440	4.7
109.10138	62.9
111.11696	38.1
113.13250	4.5
121.10105	4.1
123.11701	23.5
125.13275	15.5
127.14827	2.9
135.11687	4.1
137.13206	10.1
139.14801	6.2
151.14764	12.8
165.16359	14.4
196.62363	2.7
221.22678	3.8
482.39063	2.7
540.43439	3.7
557.60083	17.4
575.41461	4.8
575.49860	39.5
575.60675	10.5
576.52118	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	576.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.1
55.05504	23.0
67.05485	0.8
69.03418	2.9
69.07047	1.2
69.12965	0.4
70.06583	2.7
71.63085	0.8
72.08133	1.1
72.55908	0.4
73.02895	0.7
73.06163	0.5
73.06548	9.5
74.06044	0.6
81.03399	2.0
81.07031	1.1
84.08119	1.9
85.02886	4.6
86.06062	0.6
86.09687	1.8
87.00827	1.5
89.16206	0.4
91.07583	1.2
93.07051	0.6
97.02897	1.4
99.04411	0.7
105.01849	1.1
105.07074	0.4
107.08591	0.8
109.02866	2.2
116.10684	0.9
117.06957	0.5
120.08078	1.7
121.02821	1.9
121.10135	0.8
127.03893	4.1
129.10242	1.1
133.10056	0.5
137.09636	0.8
149.02321	100.0
150.02739	0.8
153.01801	1.9
154.02196	0.5
159.02895	0.8
167.03391	2.6
190.04927	1.0
191.14249	0.6
203.06952	3.0
212.16447	0.8
221.08060	42.9
222.08412	0.6
230.17499	1.7
231.04871	1.1
249.05905	0.5
273.07648	0.5
275.12671	0.5
293.13776	21.7
311.14871	1.8
382.09879	0.9
389.76981	0.4
400.10962	1.4
469.13181	0.6
473.19119	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.1964
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96524	0.4
69.03413	0.8
69.55137	0.4
70.06239	0.5
70.06581	4.5
71.20042	1.1
72.08139	1.9
74.06052	0.8
76.71076	0.5
84.04498	1.1
84.08120	1.9
85.02896	3.3
86.09689	2.4
88.03983	0.5
88.13869	0.4
89.03925	0.6
91.05460	1.7
95.04929	0.4
97.02892	1.2
98.97578	1.3
107.04939	0.7
115.05492	0.7
116.98569	0.6
117.03339	0.6
117.06989	2.0
119.08530	0.9
127.03851	1.0
128.06177	1.2
129.07001	2.3
129.10286	1.1
131.08530	1.0
135.04425	2.0
135.08150	0.5
136.07652	0.5
137.05919	0.5
145.02823	1.3
145.04927	0.7
145.06467	4.4
146.07225	0.4
147.04396	3.2
147.08029	2.9
157.06448	1.5
158.99586	0.5
159.08014	3.9
161.05939	1.4
162.06717	1.6
163.03874	13.5
164.04181	0.5
172.05225	0.9
173.05969	3.7
174.06836	0.5
175.03781	0.7
175.07558	2.9
177.05458	0.7
177.09076	2.8
185.05872	0.9
187.07510	3.9
189.05388	0.9
190.06236	5.3
191.06963	0.9
193.08478	0.5
201.05380	1.4
202.06061	0.6
203.07005	1.0
204.07846	0.5
205.08566	33.1
206.08905	0.7
215.06950	2.0
218.05760	0.6
219.06483	3.7
223.09598	1.0
233.08046	66.9
234.08389	0.7
251.09102	100.0
252.09351	0.7
284.16034	0.5
321.10049	0.9
322.03204	0.4
339.10938	0.7
398.12421	0.4
413.14276	1.8
441.14203	1.2
514.95673	0.5
575.31763	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.4359
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	5.8
57.03424	2.1
57.07066	44.3
59.04972	0.9
59.30937	0.9
65.37901	0.8
65.80314	0.8
65.90268	0.8
67.05501	5.7
69.03440	1.0
69.07049	7.3
71.08617	35.7
71.63536	1.3
73.06540	7.0
76.89211	0.9
79.05485	1.8
81.03398	1.7
81.07057	6.6
83.08601	7.8
85.10167	32.2
87.04461	7.9
88.13377	1.0
89.06016	100.0
91.05464	1.7
93.07054	2.3
95.05036	0.8
95.08594	7.5
95.62579	1.1
97.10153	4.3
98.98454	14.3
99.11729	2.9
107.07055	4.5
109.02885	1.9
109.10153	2.9
117.09124	6.1
119.08580	1.0
121.10094	1.2
123.11628	1.5
124.78111	0.8
130.08609	3.5
131.07014	3.1
131.08640	1.0
132.56409	1.1
133.08578	55.5
135.10196	1.1
141.16368	4.1
155.01024	11.1
161.11751	2.4
175.09647	1.3
177.11201	28.7
185.17538	1.2
185.18985	6.1
220.73849	0.9
221.13850	5.1
226.21587	2.0
229.21600	14.0
239.14868	2.5
239.23767	1.4
265.16348	1.4
273.24219	9.6
279.90289	0.9
283.17520	2.9
289.14124	1.1
311.25745	2.8
313.27319	54.0
317.06290	1.9
327.20074	1.6
335.07266	1.7
371.22791	1.3
393.24152	2.8
401.28741	1.3
415.25302	5.9
511.38406	1.0
526.42328	1.2
537.27924	2.6
555.40894	18.5
572.43201	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	571.4714
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.1
55.05252	1.4
55.05503	17.9
57.07061	7.2
59.18956	0.8
59.26084	0.9
59.83755	0.9
60.04496	2.5
64.67006	1.3
67.05491	14.3
68.94376	1.1
69.07059	19.8
71.04955	1.1
71.08610	4.8
71.49384	1.6
71.49718	1.6
71.65298	1.0
79.05479	14.0
81.07043	14.4
83.04965	1.2
83.08602	18.3
85.10159	1.8
89.06016	4.1
91.05460	8.1
93.07022	15.2
95.04941	1.4
95.08596	11.3
97.06526	1.1
97.10149	13.8
105.07018	5.0
107.08582	7.4
109.10143	4.1
111.11716	5.0
117.06976	2.6
119.08572	3.2
121.10124	9.4
123.11662	1.7
125.13258	1.0
128.96338	1.2
131.08542	3.3
133.08594	2.3
133.10106	3.9
135.11662	3.9
145.10120	2.5
145.96616	4.9
146.97437	11.1
147.11688	1.5
149.13249	2.1
150.23100	1.1
159.11732	1.5
161.13237	2.0
163.97697	15.9
164.97699	1.8
169.99103	1.0
173.13304	1.8
173.43892	1.0
179.82249	1.1
181.98781	4.0
186.99220	1.8
187.97722	1.8
205.98755	17.7
206.86710	2.5
207.87444	5.2
210.89766	1.1
216.88908	1.1
219.87572	1.2
224.87732	6.6
225.88551	12.5
226.88464	1.4
230.89160	1.5
233.89021	2.0
234.89876	41.3
235.89929	4.8
243.87561	1.2
247.90834	2.8
248.87834	15.5
248.90144	2.2
249.88191	2.6
250.89400	10.3
251.89561	1.4
252.91002	4.0
257.91425	7.5
258.89673	6.1
259.90240	1.5
261.22122	2.8
262.89438	1.7
265.91757	1.7
266.88898	15.3
271.89386	2.5
274.89368	4.5
275.89923	3.4
276.90927	64.8
277.91006	9.2
289.91809	15.1
290.91855	3.5
291.89728	1.3
295.92865	4.4
299.92511	13.9
300.91034	3.8
313.91708	1.6
316.90463	3.1
317.24557	2.0
318.91937	25.3
319.92245	4.1
331.92798	33.2
332.92950	6.0
336.93118	5.9
337.93695	5.0
341.93494	6.0
355.92789	4.4
360.95300	2.0
361.93710	7.0
362.94324	1.3
378.38016	1.3
384.95389	1.3
434.56946	1.2
463.87750	3.5
481.89066	2.4
485.02277	1.2
506.89676	4.8
520.87292	1.3
524.90509	1.1
529.88849	6.3
530.89240	3.4
535.48810	1.9
547.90039	7.9
548.90021	1.9
553.49957	3.7
565.91034	100.0
566.91162	36.1
571.47009	73.5
572.47260	1.9
588.92578	3.8
589.92639	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.4348
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	6.5
55.01860	8.5
55.05252	5.7
55.05501	64.1
57.03432	3.9
57.07055	9.3
60.17068	3.3
62.06061	3.5
67.05493	72.1
69.03414	5.3
69.06711	5.8
69.07056	60.2
71.04979	10.7
71.63291	5.8
74.48657	3.5
79.05487	43.1
81.07050	78.0
83.08607	36.0
85.02892	4.4
85.06527	5.5
89.11265	3.4
91.05464	49.7
93.07030	49.2
94.55808	4.5
95.04952	7.1
95.08588	65.1
97.06498	13.9
97.10159	41.3
105.07014	53.3
107.08586	42.4
109.06508	7.9
109.10155	37.2
109.36582	3.5
117.06999	35.4
119.08572	42.4
121.10132	34.4
121.37149	3.6
123.11706	13.1
125.09554	19.3
127.03867	4.3
128.84489	3.9
129.07002	11.6
131.08545	55.4
133.10091	43.9
135.11658	20.6
137.09683	4.6
139.11078	4.0
141.06949	5.0
143.08553	26.2
145.10107	52.0
146.10468	3.9
147.11667	26.4
149.13249	11.6
155.08521	10.2
157.10098	25.0
159.11667	47.6
161.13213	11.4
163.14810	4.4
167.08580	4.5
169.10146	12.5
171.11665	23.6
173.13176	24.8
175.14764	7.5
181.10089	4.7
183.11688	11.6
185.13260	16.0
187.13263	4.2
187.14726	16.5
189.11244	13.4
195.13812	4.8
197.13260	9.3
199.14767	10.3
201.16331	9.1
209.13295	5.5
211.14821	8.0
213.16469	9.5
215.17984	9.1
223.14915	3.8
225.16425	7.4
227.18019	4.9
229.19489	4.4
239.17920	4.2
243.20923	3.9
253.19379	4.4
261.18427	3.4
273.18195	3.8
275.03821	3.3
275.20013	7.1
276.90878	4.3
277.21664	17.1
279.23282	4.3
285.21991	4.3
291.23453	4.3
303.23071	9.2
310.75034	3.8
313.00284	3.7
315.22968	9.4
317.24725	7.1
341.24542	3.8
367.30017	7.9
383.28970	7.7
383.33389	6.9
385.30939	89.3
386.31430	4.4
397.30701	4.1
423.32266	4.5
431.31873	5.1
441.33591	4.6
459.34570	13.7
473.36160	8.2
499.38580	8.2
516.50183	3.8
517.40186	19.6
535.41589	29.0
536.41803	4.2
553.42505	100.0
554.42645	8.9
565.90814	6.7
571.43109	88.0
572.43372	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	571.1282
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.9
55.01857	1.5
57.03423	1.8
57.82730	0.7
61.02901	3.0
67.01839	1.5
68.99783	2.0
69.03072	1.1
69.03419	18.6
71.02691	1.5
71.03049	0.8
71.04991	4.3
72.33372	0.6
73.02889	1.1
81.03404	28.3
83.01362	0.7
83.04986	0.8
83.92718	0.6
85.02888	64.1
86.18419	0.7
87.00805	6.4
94.06084	0.6
97.02874	26.5
99.04436	24.4
103.03288	1.2
103.03920	15.1
103.04545	1.2
105.01861	2.8
109.02858	47.9
127.03894	100.0
128.04224	1.0
129.01787	4.0
133.02827	2.8
145.04929	16.3
147.02863	3.2
159.02901	4.4
163.05965	3.7
169.04938	2.8
179.03368	21.0
187.05984	9.1
213.03922	10.0
229.07025	2.2
231.04955	16.7
233.01907	0.9
235.97273	0.8
247.57513	0.7
249.06042	1.9
253.07016	2.1
271.07996	1.1
273.05969	6.1
291.07056	7.3
312.50919	0.7
332.36008	0.8
339.06958	3.9
357.08145	3.0
375.09140	13.1
393.10242	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.5078
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.1
55.01871	0.7
55.05504	10.2
56.05032	4.9
57.03428	1.0
57.07067	6.3
58.06591	0.8
60.04517	67.4
63.83938	0.4
65.03922	0.7
67.05493	13.7
68.05030	0.6
69.07058	12.5
70.06570	2.3
71.03384	0.6
71.03719	0.7
71.04976	0.6
71.08623	3.6
72.04491	2.8
74.06075	2.3
79.05479	9.1
80.05001	0.9
81.03410	3.6
81.07046	15.7
82.06570	3.3
83.04971	1.2
83.08607	9.3
84.04490	0.5
84.08153	1.0
85.10179	1.3
86.06058	3.0
89.06023	2.8
90.05535	3.0
91.05463	9.4
91.05997	0.7
93.05776	0.5
93.07031	8.7
94.06562	4.9
95.04949	3.1
95.07331	2.0
95.08588	14.3
96.08118	2.2
97.06525	1.3
97.10156	4.9
98.06081	1.9
105.07019	5.8
107.08576	4.6
108.08136	1.5
109.06516	0.9
109.10139	5.2
110.09695	0.8
111.08083	1.0
111.11758	0.9
112.07618	1.0
114.09142	0.6
116.07103	0.4
119.08568	6.4
121.10122	5.0
122.09682	1.4
123.08094	1.2
123.11654	2.2
125.13264	0.5
131.08565	0.5
133.08633	2.0
133.10118	4.6
134.09618	0.5
135.10724	0.6
135.11652	3.1
136.11234	0.6
137.09613	1.3
137.13312	1.1
147.11646	2.2
149.13252	0.9
151.11139	0.4
155.14328	0.4
161.13344	0.8
163.14799	0.6
175.14799	0.6
177.11330	1.0
177.16394	0.5
217.19438	0.5
219.21098	0.8
233.22670	0.9
234.22194	0.6
245.22620	4.4
250.25200	3.3
254.24689	0.7
260.23642	0.6
262.25256	31.1
263.23605	5.9
266.24817	1.2
268.26349	0.9
272.25787	7.6
272.28452	0.5
280.26321	30.2
298.27356	11.1
314.26788	3.7
316.28491	1.7
326.26877	0.5
344.28067	0.9
356.91989	0.4
371.22662	1.9
402.93646	0.5
504.47833	1.0
516.47675	4.6
534.48798	18.6
543.91522	0.4
552.49805	100.0
553.50281	1.3
565.90826	1.2
570.51227	16.1
571.46924	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.5083
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89436	0.4
53.03938	1.1
55.01846	0.7
55.05503	10.9
55.96067	0.4
56.05028	4.5
57.03414	0.9
57.07067	6.8
58.02953	0.6
58.06601	0.9
58.33917	0.4
60.04515	75.2
62.80445	0.4
63.76994	0.6
65.03918	0.9
67.05491	15.3
68.05000	0.7
69.03378	0.4
69.07056	13.3
69.98109	1.4
69.98525	0.7
70.06584	2.6
71.05000	0.8
71.08617	3.5
72.04501	5.0
74.06065	3.1
79.05477	10.0
80.05013	1.3
81.03400	3.6
81.07046	16.2
82.06577	3.0
83.04979	0.9
83.08604	9.5
84.04466	0.4
84.08138	1.1
85.02887	0.7
85.10175	1.4
86.06049	3.1
88.07607	0.4
89.06010	3.4
90.05540	2.9
91.05466	9.8
91.05993	0.7
93.07030	10.2
94.06548	4.3
95.04955	2.3
95.07354	1.5
95.08593	14.7
96.08135	1.7
97.06528	1.7
97.10163	6.1
98.06039	1.9
100.07618	1.0
105.07013	6.3
107.08569	5.1
108.08113	1.9
109.06542	1.0
109.10132	6.3
110.09690	1.2
111.08097	1.1
111.11713	1.3
112.07585	0.8
114.09202	0.5
117.07014	0.4
119.08563	7.3
121.10124	5.2
122.09641	2.3
123.08038	1.1
123.11681	2.2
125.13257	0.5
126.09184	0.5
131.08627	0.5
132.25987	0.4
133.08655	1.9
133.10117	5.7
135.10718	0.5
135.11632	2.7
136.11217	1.0
137.09627	1.0
137.13255	1.0
147.11676	2.1
149.13264	1.2
161.13249	1.1
175.14818	0.7
177.11203	0.9
193.51312	0.4
219.21237	0.4
222.22258	0.5
233.22643	1.1
234.22108	1.0
237.22142	0.7
238.25362	0.4
245.22563	4.7
250.25328	3.7
252.26744	0.9
254.24834	0.7
262.25256	31.5
263.23581	6.4
266.24741	0.8
268.26279	1.8
269.37369	0.4
272.25781	8.0
278.24783	0.4
280.26303	30.4
281.26974	0.6
298.27374	10.9
298.30652	0.6
314.26852	2.9
316.28546	2.3
344.27890	1.4
356.27881	0.7
371.22821	1.6
443.31070	0.4
504.47726	1.2
516.47650	4.3
534.48718	16.8
535.48883	0.9
536.01520	0.4
552.49792	100.0
553.50098	5.6
565.91217	1.3
570.51117	16.0
571.48938	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.5077
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.3
54.08593	1.1
55.05499	15.1
56.05028	5.7
57.07059	6.1
59.93011	1.1
60.04515	72.7
60.30347	1.2
60.88465	1.6
65.03893	1.3
67.05492	18.6
69.07056	17.8
69.42799	2.1
69.43208	8.5
70.06555	1.8
71.04956	1.3
71.08611	4.6
72.04496	4.4
74.06062	2.2
79.05479	14.6
80.04984	1.2
81.07047	17.7
82.06574	2.7
83.08608	10.4
84.08114	1.2
85.10168	1.8
86.06022	2.1
89.05112	1.3
89.06014	9.8
90.05537	3.8
91.05461	7.6
93.07027	12.4
94.06532	4.1
95.04944	3.7
95.07276	1.6
95.08593	17.2
96.08112	2.5
97.06486	1.3
97.10154	7.5
98.06036	2.0
98.20695	1.1
105.07016	7.2
107.08622	6.4
109.10097	6.6
111.08079	1.7
116.07079	1.6
119.08545	5.2
121.10145	6.9
123.08010	1.8
123.11710	1.5
133.08588	5.7
133.10091	6.2
135.11688	3.2
147.11682	1.8
149.13203	1.4
177.11214	3.3
188.07217	1.3
216.15540	1.3
225.70473	1.2
245.22528	4.6
250.25247	2.9
262.25259	28.2
263.23660	3.9
268.26172	1.6
272.25800	4.8
276.90802	1.4
280.23245	1.9
280.26276	28.8
298.27359	10.3
314.15341	1.4
314.26813	2.4
327.13092	1.3
344.27762	1.6
371.22861	7.2
484.48550	3.4
516.47345	3.7
534.48560	16.4
552.49792	100.0
565.90887	4.0
570.51550	22.8
571.46857	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	570.5082
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.1
55.01852	1.7
55.05507	9.9
56.05026	4.2
57.03410	0.7
57.07061	5.4
58.06583	0.7
60.04518	80.7
61.68976	0.7
67.05497	15.2
69.03413	0.9
69.06708	1.2
69.07058	15.1
70.06577	2.7
71.02052	1.4
71.02399	1.0
71.08604	3.4
72.04528	3.8
74.06066	2.4
74.64127	0.6
75.10503	0.6
79.05482	10.0
80.04972	0.8
80.41465	0.7
81.03402	3.3
81.07046	17.6
82.06570	3.0
83.04971	1.7
83.08605	9.4
84.04488	1.0
84.08154	1.0
85.10161	1.6
86.06055	2.9
89.06020	1.0
90.05539	2.8
91.05470	9.0
93.07025	11.3
94.06541	5.6
95.04973	2.2
95.07351	1.9
95.08592	16.0
96.08131	2.1
97.06543	1.4
97.10155	5.6
98.06052	1.8
100.07597	1.4
105.07001	5.7
107.08582	5.7
108.08104	1.4
109.06535	1.4
109.10152	6.4
110.09669	1.0
111.11708	1.9
112.07587	1.2
114.09164	0.8
116.07081	0.9
119.08550	6.9
121.10134	6.8
121.10928	0.9
122.09653	1.5
123.08045	1.3
123.11707	1.8
130.05373	0.6
133.08586	0.9
133.10139	5.5
135.10519	0.8
135.11688	2.9
136.11185	1.2
137.09633	1.4
147.11650	2.2
149.13252	1.0
161.13239	1.6
163.14798	1.2
179.83354	0.7
219.21175	0.8
233.22621	0.6
236.23723	1.0
238.47073	0.7
245.22679	5.1
250.25221	3.9
260.23557	0.7
262.25253	33.8
263.23581	5.2
268.26331	1.9
272.25806	6.3
280.26309	29.2
286.17020	0.7
298.27356	12.9
314.26608	3.4
316.28552	2.7
324.28723	0.8
344.28134	1.1
368.31696	0.8
370.75754	0.7
516.47833	4.0
534.48792	18.8
552.49805	100.0
553.50183	2.3
570.51025	13.4
571.46655	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.4565
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	2.3
57.07065	30.0
59.04981	1.0
67.05483	2.1
69.07052	4.7
70.10033	3.2
71.08617	24.7
73.06548	5.7
73.41880	0.6
79.05481	1.3
81.07041	1.5
83.08593	2.7
85.10168	14.9
87.04445	5.9
89.06011	100.0
91.07556	0.8
93.07032	0.9
95.08596	1.6
97.10155	3.3
99.11710	2.6
105.06998	1.1
107.07036	4.5
107.08593	1.1
111.11697	2.6
113.13268	1.9
117.09121	5.5
125.13234	1.6
127.14814	1.2
130.08632	3.9
133.08577	53.1
135.10092	0.8
161.11668	1.2
177.11188	24.0
183.21053	4.0
191.10655	1.4
195.12424	0.7
221.13768	5.1
227.23665	3.5
239.14935	2.7
265.16339	1.2
271.26273	8.5
276.90939	0.8
283.17447	4.5
295.10052	0.8
315.28943	5.3
327.19952	3.3
331.92844	0.9
356.32605	0.7
371.22711	15.6
484.44797	1.6
509.40268	1.5
552.49750	0.8
553.43030	15.9
563.52930	0.8
565.91071	3.3
570.45752	6.2
571.47003	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.3475
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.7
55.01857	2.6
55.05508	8.8
56.83289	0.8
57.03431	9.0
57.07063	2.7
61.02910	2.3
65.03909	1.4
67.05492	18.1
69.03067	1.8
69.03419	23.5
69.06710	1.3
69.07059	17.8
70.06592	1.2
71.01340	1.5
71.04962	1.2
71.08617	2.3
71.17178	1.0
71.17510	1.8
73.02892	3.5
79.05479	2.8
81.03040	0.6
81.03404	19.1
81.07048	21.7
83.04953	2.6
83.08613	9.4
85.02894	33.4
85.10144	1.5
87.04416	1.2
91.05457	1.1
93.07037	2.3
93.19140	0.8
95.08594	38.0
97.02881	26.5
97.10144	9.7
99.04430	8.4
101.02437	1.4
101.59216	0.8
107.04940	1.9
107.08578	0.8
109.02866	100.0
109.10143	14.6
111.04415	8.4
111.11707	7.0
121.10114	2.0
123.04461	1.4
123.11697	6.9
127.03898	37.6
129.05449	2.0
137.13249	5.6
139.62762	0.8
145.04944	19.5
146.05296	0.9
157.04956	2.9
163.05988	2.4
171.06516	2.1
175.07431	1.0
183.17465	1.0
185.18889	0.9
191.17950	1.4
193.19449	8.2
209.18944	1.2
211.20569	13.3
241.21664	5.7
271.22610	1.1
293.13675	1.6
311.21829	4.3
329.23184	17.8
337.23810	4.6
355.24731	5.6
364.04544	1.0
416.72629	1.0
449.14999	1.0
570.37988	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	570.4568
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91369	0.9
55.05494	2.7
57.07067	53.0
59.04969	1.0
67.05508	4.1
69.07059	8.9
69.32410	0.6
69.66631	5.8
71.08623	48.4
71.60206	0.7
73.06546	5.3
79.05485	2.8
81.03417	4.6
81.07037	4.2
83.08627	3.8
85.10172	34.3
87.04464	6.7
89.06018	100.0
89.33675	0.8
91.05448	2.0
93.07011	2.4
95.04946	0.8
95.08588	2.6
96.67263	0.8
97.10134	3.6
99.11721	7.6
105.07008	2.9
107.04926	2.4
107.07046	3.2
107.08538	1.7
109.10144	1.0
111.11726	4.1
113.13255	7.0
113.99423	0.9
117.09116	7.2
119.08545	1.7
121.10120	1.5
121.50964	0.7
125.13257	2.4
127.14822	2.6
130.08620	2.2
131.07022	1.9
133.08586	63.5
135.10126	1.5
137.09560	0.9
144.90977	0.8
160.11177	0.8
161.11684	1.4
165.08992	1.0
177.11203	30.5
183.21121	1.4
210.67426	0.9
221.13815	8.1
227.23730	1.4
239.12685	3.4
239.14937	2.5
242.13313	0.8
268.26294	1.2
271.26245	7.5
283.17538	4.8
310.08185	0.8
315.28979	8.6
327.20093	4.1
331.92767	0.9
335.25760	2.5
361.44730	0.9
371.22681	18.8
458.63992	0.9
465.37830	1.7
499.33972	1.5
500.34433	1.0
509.40173	1.7
552.49231	0.9
553.43030	33.7
565.90582	1.2
570.45538	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	570.3479
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83900	2.8
53.03931	7.5
55.01862	6.9
55.05503	16.1
57.03428	19.0
57.07060	8.7
57.48677	3.3
61.02911	7.1
61.13449	2.8
64.09107	3.3
66.04856	3.3
67.05494	36.1
69.03421	63.3
69.07053	34.5
69.72443	24.4
70.06549	4.0
71.04984	4.0
71.08624	7.8
73.02898	17.8
79.05480	7.2
81.03415	24.4
81.07054	41.7
83.01340	3.5
83.04975	7.3
83.08607	18.2
85.02893	100.0
85.10151	6.1
87.04472	6.2
93.07017	5.7
95.08595	71.8
97.02887	53.4
97.10143	23.5
99.04468	16.5
107.04933	4.9
109.02869	91.6
109.10151	33.1
111.04408	10.2
111.11687	14.6
115.03868	3.4
118.24184	3.1
119.08637	3.5
121.10120	4.6
123.11677	12.5
127.03903	99.7
129.05400	4.2
131.08604	3.6
137.13258	5.7
143.33667	3.3
145.04944	57.7
147.10417	13.3
160.11235	7.1
163.06015	5.2
171.06477	7.5
174.12834	3.6
180.08667	3.4
191.64012	3.4
193.19492	10.5
209.08713	3.9
211.20563	31.4
222.78542	2.9
227.19994	5.2
241.21599	7.6
271.22626	8.7
283.22491	3.3
311.22086	16.5
329.23148	63.7
337.23718	14.2
355.24646	27.6
373.25977	4.3
385.41574	3.1
408.32471	16.5
419.31082	3.3
493.39590	3.8
570.27130	15.6
570.37561	35.0
571.27277	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	568.4267
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02354	1.6
53.03927	3.1
55.05503	8.4
57.07069	10.6
59.04968	1.8
65.03919	4.2
67.05494	17.4
69.03411	3.7
69.06715	1.3
69.07057	14.0
69.64763	8.9
70.06578	1.7
71.08605	1.4
77.03910	1.7
79.05480	25.3
80.06249	4.2
81.07040	35.9
83.04959	3.4
83.08603	7.0
85.06522	3.1
85.10167	1.3
86.67583	1.1
88.07633	2.0
91.05465	47.6
92.06255	1.6
93.07028	53.7
94.06498	1.4
94.07825	1.8
95.04952	39.2
95.07306	1.2
95.08585	28.8
97.06521	2.0
102.09145	3.2
103.05435	9.3
105.07012	88.0
106.07822	1.9
107.04959	3.7
107.08579	42.2
108.09367	2.3
109.06496	6.2
109.10132	18.7
111.08056	2.4
115.05424	3.9
116.06217	1.5
117.06999	28.9
118.07769	2.8
119.08558	100.0
119.35171	1.1
120.08082	2.9
120.09393	9.0
121.06485	2.3
121.10117	30.7
123.08054	14.2
123.11679	6.2
125.09592	2.2
128.06201	9.4
129.06992	18.3
130.06537	2.5
130.07761	9.3
131.04895	4.9
131.08548	50.8
132.08063	2.1
132.09314	10.7
133.10107	52.4
134.10899	5.7
135.08026	5.2
135.11661	17.3
137.09601	5.5
138.10388	6.4
139.11159	2.5
141.06963	7.7
142.07755	16.8
143.08534	43.5
144.09309	13.8
145.10098	82.8
146.10883	5.3
147.08031	3.9
147.11650	21.2
149.09592	4.7
149.13225	3.7
151.11150	3.0
151.14783	1.2
153.06998	2.4
154.07736	2.4
155.08524	16.3
156.09322	19.8
157.10107	49.1
158.10880	10.7
159.08008	2.7
159.11661	38.7
160.12408	2.1
161.09602	5.7
161.13190	6.9
163.11174	2.9
163.14842	1.4
165.06967	4.4
166.07759	2.2
167.08548	8.5
168.09349	5.2
169.10100	26.3
170.10938	9.5
171.11667	33.4
172.12463	7.3
173.09505	1.6
173.13240	27.2
174.14017	1.5
175.14790	16.9
177.12737	5.3
179.08516	9.0
180.09291	3.9
181.10092	15.5
182.10945	8.9
183.11662	28.6
184.12440	4.0
185.13223	23.6
186.14073	5.9
187.14786	13.3
189.12686	4.3
191.14322	9.7
192.09457	1.3
192.15050	2.4
192.17461	1.5
193.10106	8.8
194.10876	9.3
195.11653	20.3
196.12422	7.8
197.13239	23.2
198.13986	4.6
199.11125	1.7
199.14763	11.0
200.15475	1.6
201.12732	3.6
201.16252	5.9
203.14285	3.1
205.10100	2.1
205.15826	1.7
206.10962	3.0
207.11659	8.4
208.12431	4.4
209.13217	24.7
210.14059	3.4
211.14772	18.5
213.16325	3.9
215.14311	1.8
217.15849	4.7
218.16701	1.8
219.11627	3.0
219.17424	2.5
220.12550	3.2
220.20538	8.6
221.13194	8.1
222.13922	2.8
223.14761	11.4
224.15639	5.4
225.16270	5.8
226.17097	3.1
228.10275	1.3
231.11569	1.7
233.13167	4.0
234.13892	1.7
234.22064	5.8
235.14790	6.6
237.16335	6.7
239.17944	5.2
241.19505	2.2
242.18867	1.5
246.13914	2.1
247.14763	1.5
248.23712	4.7
249.16316	4.4
250.16997	1.3
251.17917	4.8
253.19460	2.7
257.18994	1.7
259.14758	2.3
259.20514	2.3
261.16345	1.8
263.17853	3.7
265.19470	4.5
267.17374	1.2
267.20917	1.8
269.19025	1.4
270.19785	2.0
271.85193	1.2
273.16351	2.0
275.17926	1.9
277.19452	2.5
279.21014	1.2
283.20538	4.1
283.26138	2.8
284.29422	5.1
285.22018	3.2
291.20944	1.6
292.22833	1.6
295.20544	1.5
296.21194	1.3
297.22012	3.1
303.21066	1.7
305.22565	3.4
309.21872	1.5
311.29367	3.9
312.32712	1.9
320.25293	1.2
323.23553	5.5
335.23337	1.7
337.25153	2.7
338.25974	43.8
349.25339	1.3
351.26483	1.6
362.25879	2.2
374.37671	10.6
376.39075	1.8
382.27194	2.0
415.30048	1.6
420.30301	2.5
430.32230	14.1
476.36444	21.8
524.44611	41.6
568.47021	46.8
568.56488	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	568.3469
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83015	0.3
53.03950	0.3
55.05503	4.2
57.07061	0.6
67.05487	0.7
68.05017	0.7
69.03419	2.4
69.07059	3.9
69.38119	0.3
69.38435	2.9
70.06583	10.7
71.08620	0.5
74.92332	0.3
75.59033	0.3
79.05524	0.4
81.03405	0.4
81.07043	0.7
83.08610	4.3
84.04470	0.4
84.08136	0.7
85.02892	0.4
85.95856	0.3
86.06056	8.8
86.09674	0.7
87.04457	12.2
91.05454	0.4
93.07026	0.5
97.02946	0.4
97.06544	0.4
97.10171	1.6
98.06042	59.0
98.20666	0.5
104.07092	0.4
106.32687	0.3
107.04935	3.5
110.07118	0.4
112.07584	0.4
126.09158	0.4
127.03891	0.3
129.10280	0.3
156.17464	10.2
184.07310	1.0
224.20067	8.1
242.21109	100.0
243.21465	1.4
274.45477	0.3
286.90204	0.3
406.29425	4.1
424.81381	0.3
513.21136	0.3
568.34747	47.8
569.35327	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.008
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45718	0.9
68.59840	0.8
70.43748	1.8
72.77055	0.7
82.92730	1.0
87.58446	0.7
94.92952	1.1
98.98483	0.8
101.49525	0.7
112.89552	1.5
123.94077	3.0
139.91452	100.0
184.93303	0.8
185.04199	8.1
203.05240	21.1
222.98735	0.8
223.97351	1.6
224.89206	18.8
224.93854	3.2
224.98531	3.5
281.92575	3.5
303.99289	1.0
365.10501	72.0
381.07877	92.0
382.08237	1.8
496.17133	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.2954
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	8.6
55.01849	9.6
55.05502	19.8
57.03410	8.5
57.07038	3.5
57.94719	2.1
61.02894	5.6
67.05486	27.9
69.03112	2.3
69.03418	23.8
69.07051	72.1
69.14487	2.1
69.26273	2.5
69.56475	20.5
70.06571	15.1
71.01318	6.2
71.04961	6.7
71.08620	19.0
71.13696	2.5
71.64515	2.0
72.08118	3.7
73.02903	6.5
73.06518	8.3
74.06049	3.0
79.05476	28.1
79.63486	2.3
81.03399	35.6
81.07032	24.5
83.04942	10.4
83.08604	19.1
84.04472	2.9
84.08100	10.4
85.02886	45.9
85.06532	4.3
86.09663	7.6
87.00816	23.3
91.05454	22.3
93.07024	26.9
94.88805	2.2
95.04932	9.0
95.08588	24.0
97.02878	31.2
97.06503	21.3
99.04409	8.5
99.08074	17.2
100.07611	3.4
100.11239	36.0
101.11565	6.2
105.01831	24.0
105.06995	17.2
107.04917	3.8
107.08531	11.5
109.02848	29.2
109.06485	5.0
109.10151	11.2
111.04422	8.9
113.09616	7.8
114.09129	3.4
115.07549	6.8
117.06995	6.5
119.08529	14.2
120.08064	5.7
121.10119	25.5
123.11697	3.0
123.92883	2.6
125.05949	3.8
127.03897	44.2
128.07042	4.1
129.01788	3.6
129.06984	3.2
129.10239	4.2
131.08516	7.5
133.10100	19.3
135.08012	4.6
135.11678	6.0
137.09576	8.4
139.08659	2.2
139.11108	18.8
142.08583	3.6
143.07002	42.6
145.04922	12.9
145.10095	5.0
147.07970	4.2
147.11607	11.6
149.09569	10.4
149.13174	2.3
151.11154	25.2
155.10623	18.2
157.10085	3.1
159.02834	5.4
161.08067	31.6
161.09431	3.9
163.11057	3.2
165.09084	3.1
165.12746	7.2
167.10648	34.4
173.09525	3.4
175.11156	3.0
181.12218	3.1
182.15334	11.7
183.15768	5.0
184.07243	3.3
185.11685	45.0
189.16331	2.8
191.10500	3.2
203.17873	13.7
209.11615	12.5
209.16458	5.3
210.14891	11.2
213.03886	7.1
213.16365	5.4
221.18991	5.4
226.19208	2.6
231.04918	18.5
231.17372	14.9
247.13422	3.0
248.71056	2.3
249.06071	4.5
249.18446	76.9
251.12720	3.7
251.20004	15.2
257.11530	4.3
267.19485	100.0
275.12625	7.2
285.20593	6.7
289.25327	3.8
293.13898	2.5
331.13791	6.8
375.21341	2.8
379.13678	2.8
386.14511	2.1
397.14822	10.1
415.15793	5.5
424.07654	2.7
479.22449	8.7
504.39938	3.6
558.92432	4.2
567.85541	3.2
567.93036	20.1
568.43921	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	566.3529
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.8
55.01853	4.0
55.05494	9.2
57.03419	7.0
63.43963	2.4
67.05497	18.8
69.03416	4.8
69.07056	13.5
69.19271	2.6
69.47301	2.4
70.06577	4.1
71.02098	7.3
71.04977	3.5
75.20143	2.5
78.69556	2.3
79.05491	19.6
81.03403	55.0
81.07043	14.6
83.04977	3.0
83.08611	6.9
84.08122	3.5
86.09695	3.3
91.05468	23.0
93.07041	20.3
95.04966	14.4
95.08589	9.7
96.08094	5.7
97.06521	8.0
97.10146	9.8
98.21407	2.4
105.07035	12.3
107.04948	15.4
107.08573	10.0
109.06477	7.9
109.10151	6.3
110.07165	2.5
111.08063	4.1
112.54615	2.6
117.03359	2.9
117.07009	5.8
119.08591	14.5
121.06488	10.2
121.09342	2.5
121.10139	10.4
123.04443	4.2
123.07986	4.8
125.09599	8.2
129.06984	5.5
129.10208	3.0
131.04955	2.7
131.08484	5.5
133.10114	4.2
135.08017	6.5
135.11652	4.0
137.09615	10.6
141.06912	3.9
143.06995	6.6
144.58920	2.3
145.06451	6.1
145.10114	3.0
147.08049	8.8
147.11700	4.3
149.09544	3.4
157.10112	5.6
159.11737	2.9
161.09712	2.9
163.11082	4.1
165.09094	10.4
165.25983	2.7
169.10104	3.5
171.08113	4.3
173.09529	2.8
175.11099	3.6
177.05408	4.8
183.08038	3.3
187.11124	4.0
193.12154	7.3
210.21985	2.4
215.68245	2.4
227.10599	4.1
239.12659	14.8
241.12242	2.8
242.44038	2.5
267.01166	2.5
267.15839	16.8
274.76657	2.5
311.20142	5.2
321.18503	4.4
328.86719	2.4
329.21127	6.0
339.19461	15.5
357.20493	18.9
375.21854	3.3
413.23160	7.6
431.24240	100.0
449.25281	69.5
463.27115	12.4
480.18750	3.6
481.27637	6.5
522.20331	12.4
566.18951	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	565.4032
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	3.0
55.05505	5.9
57.07073	4.6
57.40107	0.8
59.04984	1.2
62.21747	0.9
65.03921	2.1
67.05493	14.1
69.03416	3.3
69.07056	12.1
71.04980	1.6
79.05049	1.1
79.05478	14.6
81.03412	1.2
81.07043	18.4
83.04966	3.7
83.08603	4.7
85.06524	2.6
85.84171	0.8
89.06019	3.0
91.05466	23.4
93.07027	27.0
95.04940	6.1
95.08588	19.2
97.06503	3.2
97.10186	1.1
98.20739	2.6
103.05456	3.4
105.07014	63.9
106.07323	1.6
107.04914	2.0
107.08574	27.7
109.06478	3.4
109.10133	14.1
111.08098	1.5
111.11680	1.0
113.09626	1.0
115.05436	2.7
116.06123	1.2
117.06985	8.3
119.08559	46.9
121.06481	2.1
121.10119	36.3
123.08080	5.0
123.11674	6.0
125.05960	3.4
128.06172	5.7
129.06976	8.6
130.07767	3.3
131.08545	20.2
133.08629	1.7
133.10110	29.4
135.08026	4.2
135.11670	12.6
137.09596	4.8
139.11111	1.1
141.06935	4.4
142.07748	14.5
143.08534	21.6
144.08261	0.9
144.09312	3.5
145.10097	28.5
147.07999	6.2
147.11674	10.1
149.09589	8.6
149.13220	1.6
151.07527	3.3
154.07756	1.6
155.08487	9.9
155.10562	1.9
156.09311	10.3
157.10106	30.8
158.10841	4.7
159.08092	2.7
159.11670	16.3
161.09663	2.6
161.13222	5.1
163.11198	4.6
163.14967	1.0
165.06969	3.8
165.09088	9.1
166.07761	2.6
167.08553	5.4
167.10667	17.0
168.09323	3.7
169.10089	12.7
170.10806	4.7
171.11655	19.2
172.12450	1.0
173.09726	1.1
173.13242	15.2
175.11125	2.5
175.14758	5.2
178.07698	1.9
179.08543	6.2
180.09315	2.9
181.10077	10.1
181.12137	4.4
182.10909	5.2
183.11665	12.0
184.12473	3.8
185.13182	11.8
187.14821	5.6
188.92436	1.3
189.12685	2.7
189.16373	1.3
191.08562	1.5
191.14314	2.1
192.09279	3.4
193.10091	9.9
194.10867	7.5
195.11679	14.3
196.12404	4.1
197.13239	14.9
198.14075	1.0
199.14760	15.0
201.16412	3.5
203.08578	1.3
203.14343	4.2
205.10080	2.3
206.10851	5.0
207.11673	11.5
207.13716	2.1
208.12457	4.4
209.13249	14.0
210.14053	2.2
211.14702	7.0
213.16454	2.7
215.14249	3.6
217.10150	1.5
217.15933	1.3
218.10939	1.4
219.11649	5.1
220.12460	3.2
221.13228	12.2
221.15373	13.3
222.13948	2.7
223.14787	8.5
224.15533	1.3
225.12817	2.2
225.16310	4.1
229.10103	1.3
229.15892	1.8
231.11685	3.4
232.12473	2.3
233.13211	5.8
233.15372	5.1
233.43796	1.0
234.14096	2.5
235.14828	7.9
237.16319	5.9
239.17944	4.0
242.10777	1.3
243.11624	2.6
244.12415	1.7
245.13261	3.7
246.14017	3.4
247.14774	5.5
247.16939	2.2
248.15569	2.1
249.16315	5.5
250.17067	1.6
251.17873	7.5
253.19490	3.2
257.13220	2.3
258.14111	1.4
259.14801	3.9
260.15579	2.2
261.16318	6.2
262.17056	1.6
263.17865	6.1
265.19467	6.7
269.13364	1.1
269.19049	1.7
270.13892	1.2
271.14758	2.3
272.15488	1.7
273.16302	3.2
274.16827	1.1
275.14029	0.9
275.17978	4.2
277.19534	4.3
279.21127	1.6
281.19073	1.2
283.14774	1.4
283.20578	1.4
285.16324	2.9
287.17889	3.2
288.18564	1.2
289.19458	1.9
291.21042	1.4
293.13422	1.0
301.19376	2.1
303.20895	1.6
310.17035	0.9
313.27423	1.7
315.21130	2.2
317.22531	2.1
327.21002	1.8
329.22507	1.6
331.24179	4.5
341.22647	2.2
343.24200	2.9
345.26129	1.2
357.25745	3.0
365.24731	3.1
385.28833	1.5
387.27142	1.4
425.28421	1.4
443.29630	0.9
456.09937	1.0
458.01111	1.2
473.33997	7.8
485.34253	1.5
501.72174	1.1
547.39105	10.8
565.40289	100.0
566.40765	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	565.4031
Annotation	28380-31-6
Peak:m/z	Relative Intensity
53.03936	1.5
55.05485	4.9
57.07056	5.4
67.05495	12.0
67.37724	1.4
69.03438	2.2
69.07064	7.4
71.04964	1.8
79.05482	11.3
81.07043	16.2
83.04960	3.9
83.08614	3.6
85.06532	2.3
91.05456	18.1
92.17710	1.5
93.07026	21.3
95.04945	5.9
95.08583	15.0
97.06522	2.1
103.05408	1.7
105.07014	30.9
107.08566	20.6
109.06480	4.6
109.10135	13.2
117.07013	5.5
119.08560	34.6
121.06483	2.9
121.10123	27.2
123.04456	1.6
123.08056	6.5
123.11707	4.5
125.05908	2.4
128.06216	5.0
129.06987	5.1
130.07816	1.6
131.08536	12.1
133.10101	26.2
135.08015	2.0
135.11682	6.7
137.09612	4.6
141.06973	2.4
142.07765	6.5
143.08536	13.7
145.06497	1.4
145.10104	25.3
147.08022	3.8
147.11630	9.6
149.09604	7.1
153.06944	1.6
155.08571	5.6
156.09299	8.0
157.10117	23.5
159.07983	2.1
159.11679	12.5
161.09579	1.9
161.13202	3.7
163.11198	3.2
165.07004	1.7
165.09111	5.3
167.08551	5.3
167.10675	8.9
168.09392	1.6
169.10109	12.1
170.10886	4.3
171.11639	18.6
173.09676	1.6
173.13228	13.7
175.11148	1.9
175.14822	6.9
176.08983	1.4
178.07617	1.5
179.08534	4.4
181.10103	7.3
181.12244	3.7
182.10904	4.2
183.11693	10.8
184.12462	2.1
185.13245	12.5
187.00757	1.6
187.14803	4.8
188.92346	1.6
189.12842	1.9
193.10126	9.9
194.10875	6.0
195.11649	10.7
196.12498	4.7
197.13217	11.6
199.14828	9.6
201.12781	1.6
201.16382	3.6
203.14307	4.4
205.10135	2.5
205.29253	1.6
206.10915	4.0
207.11664	6.2
207.13565	1.8
208.12468	4.5
209.13249	13.5
210.13841	1.6
211.11212	2.1
211.14792	8.1
213.16284	3.8
215.14328	7.4
217.15929	1.9
219.11615	3.9
220.12453	2.1
221.13255	9.7
221.15381	8.1
222.14063	3.9
223.14844	8.9
225.16420	4.0
226.93846	1.8
231.11646	3.0
232.12433	2.8
233.13165	4.8
233.15211	3.0
234.13948	1.7
235.14886	7.2
237.16350	4.9
239.17934	3.2
241.15823	1.8
244.12411	1.6
245.13278	2.4
246.14005	2.9
247.14839	4.6
248.15666	3.0
249.16336	3.1
251.17918	4.4
253.19461	3.5
257.13461	2.1
257.18857	2.3
260.15555	2.7
261.16333	4.4
263.17914	4.6
265.19458	4.9
271.14893	2.0
273.16315	2.8
275.17926	3.7
277.19479	3.6
279.20959	2.9
282.13876	1.8
283.20746	2.1
287.17780	2.1
289.19388	3.0
295.20459	1.9
309.16516	2.2
313.27481	3.5
329.22638	2.9
331.24130	3.7
347.23846	2.1
357.25757	1.6
365.24661	2.0
473.34061	2.3
509.33997	2.9
514.19940	2.0
547.39520	15.9
565.40289	100.0
566.40765	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.4403
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38488	0.4
53.03904	0.7
67.05455	0.7
69.33126	0.3
84.79071	0.4
84.98550	0.3
91.05465	4.7
93.07020	0.7
95.04955	9.7
95.08559	0.6
103.05447	1.7
105.06950	0.4
107.07298	0.3
109.06501	0.4
118.06524	6.1
119.04923	15.9
119.07249	0.4
120.08043	0.7
121.06415	1.4
123.04408	24.5
124.04697	0.3
130.06474	0.4
132.08051	5.1
133.08797	1.2
137.05894	0.7
144.08011	0.6
146.09630	10.7
147.04385	8.9
160.11198	2.1
165.05461	3.9
174.12778	0.4
188.14253	0.7
202.15846	0.7
230.18971	0.6
244.20624	0.5
246.22186	0.7
258.22061	0.9
262.21619	0.8
272.23691	1.4
274.25287	0.8
400.39310	79.1
401.39615	2.2
421.41913	0.4
453.01804	0.4
458.39636	0.4
489.20447	0.5
564.44037	100.0
565.44354	3.7
591.24432	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1175
Annotation	Isorhamnetin 3-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
53.03938	1.4
54.91206	0.1
55.01861	1.2
56.34648	0.1
57.03435	0.7
61.02917	0.7
67.05495	0.2
68.99765	0.6
69.03416	5.3
69.07049	0.2
70.06573	0.3
71.01517	0.2
71.01859	0.3
71.04970	0.5
73.02900	1.1
81.03402	6.9
81.07007	0.2
84.08121	0.3
85.02889	8.4
86.09686	0.5
87.00815	3.5
87.04438	0.2
91.03929	0.5
91.05476	0.1
93.03348	0.3
93.07005	0.2
95.04948	0.5
97.02274	0.2
97.02875	3.2
97.06489	0.2
99.04434	1.9
105.01848	2.2
107.08539	0.1
109.02858	4.7
117.01830	0.8
120.08025	0.1
121.02843	0.8
123.04388	0.9
124.01514	0.2
125.02333	0.6
127.03896	6.7
129.01820	0.7
129.10204	0.1
135.04399	0.2
137.02321	1.9
141.05415	0.3
145.04938	2.1
147.02882	0.4
149.02315	0.3
151.03865	0.6
155.04857	0.2
159.02866	3.3
159.04034	0.1
163.03908	0.4
167.03365	3.1
179.03346	1.3
180.04141	0.2
183.04356	0.3
187.07532	0.2
197.04427	0.5
209.04430	0.1
213.03963	0.3
215.07047	1.0
219.02931	0.2
228.04068	0.2
231.05013	1.0
233.08070	0.3
243.06493	2.9
255.37383	0.2
256.03802	0.2
261.07626	0.4
271.05963	1.4
273.03922	0.2
274.04684	2.6
274.07468	0.2
279.12399	0.2
287.05377	0.3
288.06073	0.6
299.05487	0.8
302.04172	2.2
317.06500	100.0
318.06851	1.5
335.07990	0.8
353.09094	0.6
359.07736	0.2
377.09033	0.2
521.14203	0.1
539.13580	0.2
565.12958	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	564.4406
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03901	0.6
57.07035	0.5
63.58440	0.4
65.03889	0.6
67.05459	0.7
81.06994	1.1
83.08532	0.5
91.05473	4.3
93.07002	0.7
95.04956	9.7
95.08583	0.8
103.05445	1.1
107.07288	0.5
117.05714	0.4
118.06522	8.4
119.04119	0.9
119.04922	15.3
119.08517	0.6
120.08049	0.4
121.06451	1.1
123.04415	23.1
130.06474	0.5
132.08060	4.3
133.08784	1.1
136.61566	0.3
144.07988	0.5
146.09621	8.6
147.04385	8.8
160.11150	1.8
163.93217	0.4
164.06970	0.4
165.05443	4.2
174.12682	0.7
188.14284	0.6
202.15724	0.5
258.22253	0.8
260.23581	0.6
272.23676	1.1
274.25180	0.6
286.25317	0.5
307.19455	0.5
314.28561	0.5
335.25720	0.5
374.83090	0.5
400.39316	76.4
401.39569	3.5
450.63336	0.5
491.08578	0.4
564.44043	100.0
565.44623	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	561.1742
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	19.6
63.79221	1.9
69.54688	6.5
69.55117	7.0
70.06548	1.9
79.05516	1.7
81.07037	2.2
83.04968	32.7
91.05460	3.7
99.27687	1.7
101.05964	1.7
105.06983	1.9
107.04979	1.8
112.22527	1.7
117.06998	2.7
128.06206	2.1
129.06996	2.3
130.96997	1.5
145.06483	3.0
145.22823	2.0
151.59329	1.7
160.05203	5.1
161.05966	2.8
163.07573	1.9
171.08099	1.7
173.02313	2.6
175.07523	4.8
185.05946	7.8
187.03853	3.0
188.04649	51.0
203.03424	6.8
203.06982	87.5
206.05653	1.7
208.35316	1.6
209.44072	1.6
211.07460	2.4
212.23706	1.9
213.05452	5.4
216.04106	17.4
226.09735	2.0
230.24867	1.7
231.06477	100.0
239.10478	2.1
241.12125	4.7
243.10025	2.2
254.09421	2.1
257.08099	3.6
267.10156	4.5
269.11673	16.4
285.11343	2.4
295.09760	2.1
313.10593	3.9
331.11710	83.0
335.80197	1.7
392.94644	1.9
461.12299	3.0
523.05127	1.8
561.17377	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	561.2892
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	3.3
55.05504	7.5
56.05024	1.1
56.73055	0.8
57.03414	2.7
57.07059	4.6
65.03933	1.2
66.03840	0.9
67.05495	50.8
69.03416	5.9
69.06759	0.9
69.07061	8.6
70.02993	0.9
70.04065	0.7
70.06580	9.3
71.01351	0.9
71.04971	2.1
71.08620	12.0
71.63181	0.9
71.63566	1.0
72.08140	2.2
73.02888	1.5
79.05484	12.3
81.03408	2.2
81.07046	57.7
81.22155	0.8
83.04961	2.2
83.08591	5.7
84.04494	2.1
84.08125	10.2
85.02884	7.8
85.06538	2.1
85.10168	10.3
86.09691	1.5
87.00815	3.6
87.04478	1.1
88.03978	2.8
91.05472	8.5
93.07018	11.6
95.04979	1.7
95.08592	43.1
97.02863	6.2
97.06499	4.4
97.10163	3.1
99.08085	11.5
102.05529	1.3
102.36067	0.9
105.01859	2.6
105.07029	8.0
107.04918	1.3
107.08553	9.3
109.02864	0.9
109.06534	0.8
109.10140	15.3
111.08077	2.5
111.74011	0.7
113.05206	0.8
113.09623	10.9
115.03910	7.0
117.07005	2.7
118.55688	0.8
119.08543	5.3
121.10136	8.4
123.08044	1.7
123.11690	8.7
125.09606	1.0
127.03938	1.7
129.06955	0.8
129.10210	3.5
131.08549	3.2
133.04939	1.5
133.10117	8.8
135.08046	1.2
135.11673	5.6
137.13232	6.4
139.11136	1.0
145.10107	3.1
147.11670	6.7
149.09621	1.5
149.13208	5.1
151.11154	3.1
151.14801	3.6
153.12758	1.4
159.11665	2.4
161.04425	1.6
161.13251	2.9
163.11108	1.2
163.14796	5.4
165.12698	4.3
167.14319	3.0
173.11890	1.1
173.13245	4.1
175.14742	0.8
177.12691	1.8
179.14317	2.9
181.12248	1.4
181.15849	1.8
185.05678	1.0
187.14816	1.4
191.14206	1.4
195.13792	6.2
201.03903	5.8
201.05493	0.9
209.15390	3.1
213.14793	3.4
219.04999	2.5
223.16933	2.3
229.05052	1.0
233.22519	1.2
243.21027	6.2
247.04520	4.7
261.22070	8.0
277.21521	4.7
279.23141	100.0
280.23453	1.4
295.22577	3.5
297.24081	4.2
301.03455	1.9
313.03333	3.8
355.07999	2.0
399.10583	14.9
467.41135	0.9
561.39673	9.1
561.95599	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.2
57.03425	0.3
57.07066	1.6
61.02914	0.7
65.03934	0.5
69.03416	1.6
70.06579	0.4
70.35910	0.6
71.04987	0.2
72.08147	0.2
73.02902	0.2
81.03407	0.7
84.04505	0.1
84.08126	0.5
85.02892	8.2
86.09690	0.5
87.04446	0.2
87.31685	0.1
88.03960	0.2
88.55399	0.1
91.03955	0.3
91.65572	0.1
93.03343	0.2
97.02874	2.1
99.04437	0.4
101.03886	0.1
109.02193	0.1
109.02853	0.7
111.04372	0.3
120.08087	0.3
121.02852	2.6
121.03748	0.2
127.03885	1.8
129.10246	0.1
144.30757	0.1
145.04939	2.5
149.02318	100.0
150.02641	1.1
163.05983	1.0
167.03362	1.8
180.08673	0.3
190.04919	0.5
201.83159	0.1
205.08569	4.2
223.09616	18.5
224.09943	0.4
227.45467	0.1
290.93640	0.1
325.11151	0.3
342.13681	0.3
565.14972	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.3783
Annotation	Unknow
Peak:m/z	Relative Intensity
55.00058	14.8
62.01218	14.4
62.05253	14.6
67.05490	77.8
69.07057	27.5
69.95623	42.9
69.96036	54.2
79.05476	53.6
81.07039	91.3
83.08611	14.8
88.95819	16.0
91.05447	25.1
93.07032	60.6
95.08578	60.9
97.10168	20.8
98.20703	19.6
105.07035	25.3
107.08615	35.3
109.10126	40.4
119.08579	34.0
121.10114	39.0
123.11588	19.9
129.29144	18.1
131.08569	27.0
132.99495	17.6
135.11673	18.2
146.79366	14.8
159.11676	25.7
163.14752	16.9
172.69858	16.9
212.99133	20.1
223.97166	38.0
243.21126	34.7
261.22000	100.0
335.25598	26.5
345.04196	16.5
353.26910	47.3
415.25681	17.2
473.19611	19.4
501.22449	25.4
552.22992	23.4
560.36932	24.2
561.27478	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	560.3786
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	8.0
55.05495	13.7
67.05493	57.7
67.91522	5.8
69.07076	15.6
70.81832	14.8
70.82145	8.5
77.23803	6.0
79.05478	35.3
81.03387	5.9
81.07036	61.3
83.08608	14.7
84.61729	5.8
91.05464	24.5
93.07057	32.3
95.04927	7.8
95.08592	45.1
97.86840	7.0
104.10714	17.0
105.07059	16.4
106.31133	6.9
107.08580	28.8
109.10136	28.9
119.08575	17.1
121.10057	16.2
123.11665	11.1
131.08545	10.2
133.10081	20.8
135.11703	23.9
145.10092	11.3
147.11642	7.6
149.13242	12.2
159.11696	8.9
163.14886	9.4
177.16420	11.8
178.39471	6.6
184.07304	10.9
187.14839	9.9
215.17822	7.2
243.21112	32.5
261.22107	100.0
283.15472	7.1
335.25787	24.1
345.61548	6.9
353.26822	59.5
370.40536	6.2
543.35840	8.7
553.55743	7.1
560.28357	8.1
560.36896	23.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.2741
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	8.2
54.05643	2.2
55.01852	7.6
55.05497	18.2
57.03431	3.6
57.07054	3.5
62.00253	2.0
65.34180	2.1
67.05492	27.9
67.41292	2.2
68.99773	4.3
69.03415	19.7
69.07056	11.7
69.07428	2.1
70.06539	8.8
70.06894	9.8
71.04982	5.0
71.08627	22.9
72.08141	3.7
73.06548	10.9
79.05479	23.9
81.03407	35.3
81.07046	33.2
83.04949	5.9
83.08599	3.9
84.08118	3.5
85.02887	21.2
85.06484	3.4
85.10169	3.1
86.09687	10.2
87.00817	8.6
91.05473	25.5
91.07550	3.8
93.07035	24.7
95.04966	13.1
95.08599	25.5
97.02898	13.5
97.06503	7.7
99.04437	4.5
99.08076	14.8
100.45694	2.3
105.01842	5.1
105.07009	22.5
107.04916	7.9
107.08585	15.5
109.02865	37.4
109.06503	5.8
109.10148	10.2
111.04426	4.5
111.08070	4.0
113.09610	6.6
115.05448	2.2
117.07020	13.1
119.08539	17.6
120.08096	9.4
121.06491	7.7
121.10110	14.0
123.04395	4.0
123.08045	14.1
123.11669	5.1
127.03905	21.0
129.06970	3.5
129.10190	3.3
131.08528	15.8
133.06451	5.8
133.10106	14.5
135.04350	2.4
135.08051	6.1
135.11699	15.6
137.09578	3.2
137.13211	3.1
141.06985	4.8
143.08528	4.2
145.06454	8.9
145.10120	12.2
147.08037	6.2
147.11664	10.1
149.02304	26.4
149.09612	4.7
149.13231	6.1
151.07513	5.4
151.11157	6.5
153.12674	3.4
159.02878	3.9
159.08044	2.8
159.11690	9.2
161.05981	4.8
161.08459	2.4
161.09607	13.9
163.11156	6.4
165.12744	5.8
169.08609	2.9
169.10100	7.7
171.11746	3.0
173.05875	3.0
173.09612	5.7
173.13188	4.1
174.06306	3.8
175.07446	2.6
175.11165	4.5
177.12737	6.9
179.10638	3.4
181.10002	2.3
185.13252	2.3
187.07541	6.1
187.11113	5.5
188.07802	4.1
189.12576	2.7
191.10585	2.9
191.14272	7.6
193.12196	4.7
203.06999	7.6
203.10741	2.5
204.07356	3.9
205.08530	5.6
206.08922	6.6
213.03943	11.0
215.06969	14.2
215.14218	2.4
215.17937	3.7
216.07320	10.4
221.08078	43.4
222.08392	29.5
229.12257	2.9
229.19534	5.2
230.12398	2.7
231.13776	4.6
233.08118	16.6
233.18893	2.8
234.08420	22.5
236.09856	4.0
239.17978	3.1
247.13326	4.0
247.20636	4.6
249.22043	12.3
251.20030	12.1
257.11707	9.3
257.18991	10.0
258.12134	11.9
275.12732	34.2
275.20059	44.8
276.13074	41.0
291.22568	2.8
293.13797	64.5
293.21063	57.0
294.14114	100.0
295.14371	4.4
311.22137	16.1
316.62637	2.5
335.22064	5.4
357.24286	4.0
359.22247	3.9
377.23154	10.3
383.22064	5.4
389.96783	2.3
395.23996	3.5
401.23096	7.5
419.24323	10.0
487.23184	3.2
505.24026	5.1
523.25385	31.0
559.30566	19.2
562.36884	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.6011
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03299	1.4
50.24819	1.4
53.03916	2.2
55.05500	23.1
56.68623	1.5
57.07066	46.8
58.20309	2.0
67.05490	42.0
69.07053	43.6
69.28357	11.5
69.28781	4.3
70.06572	3.8
71.08620	33.7
79.05477	6.6
81.07042	70.6
83.08604	34.5
85.10165	20.1
88.07579	1.7
89.06013	2.4
91.05508	1.6
93.07031	4.9
95.08589	100.0
97.10152	34.4
99.11723	4.6
102.05573	1.8
109.10135	61.2
111.11702	23.4
117.07485	1.6
118.06530	4.2
118.46641	1.5
121.10130	1.9
123.11681	20.6
125.13235	12.1
130.04971	7.9
137.13243	13.2
139.14803	4.5
141.16447	1.6
146.09639	4.1
151.14795	7.1
165.16391	6.9
179.17856	3.5
193.19495	2.4
212.20427	1.6
235.24252	1.7
253.43602	1.6
256.26239	2.4
283.26257	6.4
284.26620	4.6
291.30356	2.6
300.28989	2.7
301.29251	1.9
305.31989	2.7
333.35196	2.4
347.36810	2.2
361.37997	3.5
428.42407	27.9
429.42520	3.4
485.86765	1.7
516.77893	1.6
557.46350	17.7
557.52570	22.0
557.59900	35.3
558.46271	5.2
558.60504	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.4671
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07086	1.7
59.42825	0.5
63.12650	0.6
67.05524	1.3
69.07070	0.8
69.32330	1.1
69.32729	6.1
70.06614	1.8
71.67398	0.6
81.07071	2.4
84.04496	5.1
85.02895	8.1
86.06099	0.8
89.05542	0.6
89.06059	1.9
93.07084	1.1
95.08617	1.8
102.03684	0.7
102.05550	2.4
105.07115	0.8
109.10163	1.0
112.03994	1.0
113.02376	0.8
118.06528	8.6
119.08570	0.8
130.04988	23.6
131.07297	0.9
132.08083	6.0
133.08812	1.5
133.10190	0.8
135.11679	0.7
144.08051	1.1
146.09622	11.5
160.11269	2.3
161.28477	0.7
188.14391	1.0
202.16037	1.5
216.17490	0.8
228.11594	0.6
246.22255	0.8
256.26373	0.7
258.22253	1.0
272.23746	0.9
274.25381	0.9
283.26407	2.0
284.26639	1.3
286.25369	0.9
288.26736	0.8
300.29285	0.8
301.29410	0.9
389.90805	0.7
425.77692	0.6
428.42474	100.0
429.42798	1.3
517.06036	0.7
539.45776	0.7
540.44122	5.1
557.46515	77.1
557.53424	7.1
558.46698	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.4189
Annotation	Hericene A
Peak:m/z	Relative Intensity
50.73327	0.9
52.71392	0.9
53.03933	1.4
53.68430	1.1
55.05501	10.7
57.03430	5.3
57.07053	4.0
60.70614	0.9
67.05489	32.1
69.07051	13.2
70.02037	4.3
71.04975	2.4
79.05473	21.0
81.07040	34.2
83.04951	1.4
83.08604	8.2
85.06519	2.9
89.06005	1.9
91.05454	18.6
93.07025	27.5
93.07612	1.5
95.04938	2.8
95.08584	29.1
97.06506	2.9
97.10146	4.0
99.08054	3.0
105.07007	18.5
107.08570	15.3
109.06462	1.4
109.10117	13.4
117.07014	9.2
119.08553	17.3
119.09343	1.4
121.10114	14.8
123.11687	5.8
125.09623	1.3
129.06990	4.7
131.08527	12.1
133.08580	1.4
133.10097	16.9
135.11662	10.3
137.13220	3.0
139.11099	1.0
141.06964	1.5
143.08543	6.2
145.10088	14.3
147.11655	12.0
149.09540	1.3
149.13211	6.3
151.11174	1.7
155.08540	2.9
157.10049	7.8
159.11639	11.8
161.13239	6.5
163.14783	2.6
169.10081	2.7
170.96187	0.9
171.11638	6.6
173.13246	8.9
175.14838	4.1
177.16405	1.2
181.10097	1.5
183.11670	3.0
185.11757	1.3
185.13162	5.5
187.14771	5.7
189.16319	2.4
191.18086	1.1
197.13222	2.7
199.13162	1.1
199.14767	2.4
201.16371	3.8
203.17937	2.9
209.13261	1.6
211.14738	2.4
213.16299	7.4
215.17900	6.3
217.19452	2.0
223.14760	1.1
225.16254	1.8
229.19481	1.7
231.17395	7.8
233.18999	6.7
235.20457	1.2
237.16507	1.6
241.19385	1.3
243.21022	1.6
245.18959	1.9
253.19609	1.4
257.18900	1.0
259.20474	1.4
271.20544	1.7
299.23709	1.2
305.21082	3.2
307.22522	9.6
309.24127	4.8
313.25000	1.1
327.26727	1.1
359.64029	1.1
447.36316	2.0
465.37015	5.3
471.47488	1.3
483.38333	3.7
487.34402	1.7
513.48260	1.2
539.40808	12.4
557.41870	100.0
557.51392	6.3
558.42053	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	557.4196
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	11.9
57.03423	4.8
57.07071	15.8
58.07428	3.0
64.66245	2.0
67.05500	34.6
69.07063	16.6
70.06579	6.7
70.06937	2.2
71.08620	7.8
74.47887	1.9
79.05489	25.4
80.32258	2.0
81.07048	40.1
83.08611	8.1
85.10170	3.7
88.07657	2.5
89.05990	4.1
91.05466	19.8
93.07043	36.0
95.04974	2.5
95.08602	33.0
97.06534	2.1
97.10161	4.5
99.08068	3.4
104.32565	2.6
105.07026	18.7
107.08591	19.3
109.10133	19.7
117.07002	8.0
119.08557	18.8
121.10096	15.3
123.11702	7.2
129.05421	2.2
129.06990	8.2
131.08563	12.8
133.10107	21.9
135.11655	17.9
136.11977	3.2
143.08533	6.2
145.10129	12.9
147.11655	15.4
149.13258	7.2
157.10135	7.4
159.11667	12.6
161.09628	2.4
161.13312	5.7
163.11183	4.1
163.14757	2.4
164.11496	3.7
166.47957	2.0
169.10107	3.1
171.11658	6.7
173.13225	7.5
175.14803	6.2
181.10052	2.3
183.11671	2.5
185.13220	6.2
187.14857	5.6
189.16498	3.9
197.13272	4.0
199.14813	3.9
203.17918	2.2
205.15750	2.5
205.19588	2.6
211.14893	2.7
213.16425	5.0
215.17929	10.0
217.19507	2.5
227.12755	6.4
231.17474	7.3
233.18962	8.1
239.17973	3.6
250.16252	2.5
255.21164	2.5
256.26306	4.8
283.15222	5.7
283.26285	14.0
284.15576	5.2
284.26712	11.9
300.28970	7.1
301.29211	7.6
305.45074	2.8
307.22675	11.2
309.24255	5.9
313.27499	4.7
314.27615	7.6
417.72342	2.3
465.37259	7.7
475.34351	2.8
475.90582	2.0
483.38339	3.4
522.38812	10.0
539.40656	13.9
556.22955	2.6
557.41815	100.0
557.53101	54.5
558.41669	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	557.2985
Annotation	Chaetoglobosin M
Peak:m/z	Relative Intensity
53.03936	0.7
55.01852	1.4
55.05500	5.6
57.03435	5.1
57.07067	48.6
58.07408	0.7
59.04979	0.7
64.97223	0.5
66.80220	0.7
67.05167	0.8
67.05495	12.1
69.03400	1.1
69.07059	8.5
69.75054	3.1
69.75463	1.4
70.92231	0.6
71.04978	0.6
71.08623	33.3
72.08971	0.8
73.02914	0.9
73.06544	0.7
75.04480	3.1
79.05481	1.8
81.03416	1.4
81.07048	17.8
81.41057	0.6
83.08609	11.5
85.02883	1.1
85.06535	0.7
85.10171	19.5
87.22334	0.7
89.06024	6.4
90.06306	1.1
91.05444	1.2
93.07017	1.3
95.08594	26.1
97.10162	8.4
98.21465	1.2
99.04444	1.4
99.11717	1.7
107.08560	0.9
109.02867	3.1
109.10140	12.5
110.03623	1.5
111.04340	0.7
111.11680	1.8
113.13255	0.8
123.11699	5.2
125.13234	1.3
127.03902	1.4
130.61264	0.6
131.08505	0.6
133.08560	3.9
133.10123	0.7
134.08911	1.0
137.13261	3.0
139.14819	0.7
159.11687	0.6
177.11177	1.7
191.00056	1.5
204.38867	0.6
221.22664	2.2
239.23660	38.0
257.24744	4.7
283.26318	1.0
298.27435	1.3
313.27325	100.0
314.27716	1.5
331.28259	4.4
515.59009	0.7
539.28717	2.1
540.41699	2.1
557.37628	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.1196
Annotation	Unknow
Peak:m/z	Relative Intensity
54.39261	2.5
56.96553	10.8
66.44702	2.3
69.03413	4.9
70.06580	4.5
71.61858	3.9
77.00903	3.7
81.03374	2.5
82.20144	2.7
84.08129	4.0
84.96026	5.5
85.02885	5.8
97.02876	6.1
98.97575	19.9
101.00878	11.0
109.02892	3.8
110.97560	5.4
112.36669	2.4
113.00851	2.7
114.70296	2.4
116.98592	16.4
119.01909	65.8
124.82784	2.4
125.91512	2.4
127.02395	3.5
127.03867	2.6
128.98595	9.2
131.01909	28.9
133.03490	7.8
134.99683	5.8
135.05011	3.7
136.06133	6.7
136.49748	2.3
137.02939	16.3
141.03932	3.7
143.00162	3.4
143.01886	28.4
145.03452	54.6
146.99663	15.5
147.01395	2.9
147.04337	4.2
149.02946	8.0
152.05721	4.3
153.03920	3.1
155.01863	18.6
157.03461	10.2
158.99635	5.7
159.05032	30.3
159.94467	2.3
161.01248	7.0
161.02934	55.2
162.99074	2.8
163.04506	17.6
165.00703	10.0
167.01869	6.1
169.03438	41.3
170.99585	7.3
171.01366	5.4
171.05045	13.6
173.02927	46.0
175.04477	8.6
177.00684	6.1
179.01912	4.6
181.03407	6.4
182.99779	2.6
183.05159	3.4
185.02922	61.8
186.03128	2.8
187.04509	99.5
189.00685	8.1
189.02438	19.5
189.06029	7.3
197.02885	18.8
198.72382	2.6
199.04471	22.5
201.00764	19.1
201.06070	4.2
203.02194	3.8
203.03955	24.8
205.00125	5.3
205.05586	3.4
207.03413	4.0
210.06110	4.6
211.04543	20.6
213.02446	18.3
213.06046	3.2
215.03999	14.0
217.05537	4.0
219.01738	23.3
221.05057	7.2
223.01259	8.5
223.04517	5.1
225.02475	7.4
227.03926	12.0
229.05528	8.5
231.03523	34.6
233.05023	3.3
237.02763	10.5
241.02364	2.5
243.03711	4.3
245.05052	98.1
247.01181	9.9
257.01370	7.3
257.05118	3.3
261.02750	26.9
263.06003	13.1
265.02292	4.4
271.06537	14.9
275.02454	52.9
275.06049	14.4
277.02374	3.6
279.03677	12.5
287.02454	21.3
289.07489	2.7
291.04019	4.3
293.03485	21.5
293.06824	4.2
297.04684	4.1
305.03461	23.5
305.07159	9.6
307.03265	7.0
315.05704	7.1
316.05090	5.3
321.04764	14.5
333.06894	5.8
335.04645	30.6
335.08289	4.5
341.03461	6.9
349.04385	3.8
359.04547	25.6
365.09286	10.3
377.05585	69.6
381.06985	3.8
395.06689	100.0
399.08044	4.8
439.13010	9.2
539.10608	10.0
557.11829	52.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.5292
Annotation	N-(palmitoyl)-phytoceramide
Peak:m/z	Relative Intensity
55.05508	3.4
56.05030	0.4
57.03420	0.9
57.07066	12.9
58.06587	0.9
64.80634	0.4
66.25576	0.4
67.05492	5.3
69.07062	4.6
70.06586	12.1
70.78671	0.4
71.08624	6.5
71.41603	1.0
72.08157	1.5
73.02900	1.1
79.05499	2.0
81.07047	6.1
83.08604	4.2
84.08130	1.4
85.06548	0.6
85.10158	3.2
86.09687	2.0
87.04455	0.6
88.07619	6.4
89.06022	3.0
91.05476	1.2
93.07033	2.9
95.08591	5.7
97.06538	1.1
97.10170	1.4
102.09161	2.1
105.07028	0.8
107.08572	2.0
108.08676	0.4
109.10155	2.3
111.08065	0.5
114.09149	0.4
119.08559	0.7
121.10148	1.3
123.11660	0.7
125.09599	0.7
132.10197	4.6
133.08626	1.3
133.10141	1.0
135.11693	0.6
146.09682	0.7
146.11732	4.9
149.13251	1.4
161.13254	0.5
167.14317	0.7
177.11259	1.1
199.93823	0.4
212.23819	2.0
238.25290	0.9
241.17964	0.8
256.26315	10.6
259.19009	5.7
263.23792	0.6
272.25876	1.5
283.26285	41.8
284.26672	0.8
300.28934	23.4
311.29413	3.0
318.30081	1.8
324.52344	0.4
337.27386	2.8
371.22885	1.6
442.44220	1.4
494.50339	0.5
511.96097	0.5
521.42181	4.3
538.51678	0.5
540.25183	0.5
556.52905	100.0
557.53503	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	556.238
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	1.3
53.03925	1.7
55.01853	4.9
65.03918	2.6
69.03407	2.5
69.62629	3.8
69.63058	4.2
70.06573	4.3
77.03907	1.2
79.05471	5.0
83.31739	1.1
84.08131	1.6
85.02882	6.7
85.55937	1.2
86.09694	1.1
91.05468	35.7
93.07021	2.2
94.04137	1.4
95.04963	2.5
97.02866	2.4
103.05448	42.6
105.03379	7.7
105.07011	21.0
107.04919	4.1
109.02891	1.6
109.06491	7.4
115.05421	4.1
117.06974	1.7
118.04201	1.2
119.04927	51.2
119.08553	1.1
120.08078	0.9
121.06472	4.5
122.03610	4.5
123.08054	3.2
127.03862	1.9
129.06917	1.9
129.10170	1.5
131.04906	100.0
132.05511	1.3
133.02802	7.4
133.06477	22.6
134.03522	1.1
137.05957	80.3
143.06036	2.8
144.05701	1.4
145.04982	1.8
145.06477	2.2
147.04387	21.5
147.08014	2.9
149.05977	7.4
150.06717	1.8
151.07518	25.8
159.08054	3.3
160.34996	0.9
161.05956	88.8
162.06735	8.1
163.07518	58.2
164.82872	1.2
165.05484	5.4
172.05179	1.6
173.05905	1.3
175.07524	19.1
179.07018	25.0
187.07518	10.9
190.06235	1.3
191.08531	2.4
193.08528	5.8
205.08565	11.9
217.08540	3.5
219.08070	5.1
231.08073	2.0
235.09589	3.8
239.02736	1.1
247.07516	2.7
248.08498	1.2
251.10663	4.5
263.10898	1.3
279.10049	5.8
291.10040	6.2
292.10675	1.2
296.10391	1.4
309.11066	7.6
311.12720	21.0
323.12671	4.6
329.13779	4.5
341.13721	10.6
359.14856	4.6
437.22687	1.1
442.52853	1.3
477.96973	1.2
581.92926	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.4413
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	2.6
57.07069	34.0
57.84782	0.6
67.05486	1.4
69.07062	3.6
69.88924	3.7
70.06585	1.0
71.08623	27.4
72.86562	0.6
73.06553	7.6
77.06149	0.7
79.05495	1.3
81.07051	1.2
83.08602	1.7
85.10169	17.5
87.04457	5.9
89.06020	100.0
91.05473	0.9
91.07559	0.9
97.10149	4.0
99.11723	3.0
105.07019	1.0
107.04977	0.7
107.07045	4.0
109.10136	1.0
111.11718	2.5
113.13279	1.7
117.09103	6.2
119.08537	0.7
125.41951	0.7
130.08620	4.9
131.07048	1.5
133.08586	53.7
135.10194	1.1
161.11755	0.9
169.19528	3.5
177.11203	24.8
213.22131	2.8
221.13785	4.5
239.14905	2.5
247.00639	0.6
257.24725	11.0
265.16385	0.7
283.17578	2.6
301.27304	6.8
306.52130	0.7
327.20160	2.8
334.13885	0.6
371.22708	12.6
371.27036	1.0
451.36392	0.9
495.39087	1.5
539.41553	17.2
556.44623	4.5
556.53113	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	556.2049
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.4
54.67841	0.9
55.05500	4.2
56.05027	2.7
57.05828	0.8
57.07066	1.7
61.01144	1.8
63.20415	1.0
67.05487	7.2
69.03410	5.6
69.07046	5.9
70.06583	10.8
71.04984	2.0
71.27972	2.2
72.08152	3.2
79.05473	2.6
81.03415	3.8
81.07034	11.0
83.04978	4.3
83.08603	3.4
84.04489	1.4
84.08134	7.9
85.02887	3.4
86.09694	3.2
87.00821	3.4
87.05592	3.8
88.03977	1.0
89.11487	0.9
91.05473	2.6
93.07001	5.5
95.08576	15.5
97.02857	6.2
97.10140	1.5
98.02495	1.0
99.04436	1.4
99.08067	2.5
104.05329	2.8
105.01855	1.9
105.07030	3.5
107.08569	10.4
109.02887	6.3
109.06490	4.0
109.10133	41.6
110.07120	1.3
111.08070	2.0
111.11749	1.0
114.05571	1.4
116.67123	0.8
119.08549	16.1
120.08072	10.2
121.10124	7.4
121.43810	0.9
123.07992	4.8
123.11689	5.3
127.03870	7.0
129.10204	4.1
133.03157	1.6
133.10097	9.0
135.11664	41.4
135.53171	0.9
137.09567	7.0
137.13287	1.4
139.11177	1.0
147.11610	1.0
149.13303	2.9
150.05801	3.4
151.11159	3.4
151.14799	5.1
153.12723	1.2
159.02950	1.2
165.16391	1.7
172.35887	0.9
175.14799	18.8
193.15836	24.5
195.07709	1.1
197.09583	1.0
211.16885	100.0
213.04002	2.1
226.15504	1.6
231.04926	1.0
258.16153	1.1
265.08554	1.7
290.25656	1.2
367.69559	1.3
423.20294	4.8
459.21994	3.3
556.22388	1.9
579.32233	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.4047
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	44.4
57.03429	21.4
67.05493	97.9
68.04109	8.4
68.05831	8.7
69.07052	30.9
71.04980	10.3
71.61102	13.4
72.73795	7.3
76.24290	7.2
79.05485	71.1
80.46780	8.8
81.03397	23.9
81.07043	96.1
83.04953	8.4
83.08604	33.5
85.02895	9.6
87.04453	11.2
89.06049	9.5
91.05466	49.0
93.07026	100.0
95.04961	19.1
95.08584	59.3
97.06510	17.7
105.07005	44.5
107.08576	40.5
109.10142	26.0
117.07008	17.9
119.08542	23.6
121.10140	34.6
131.08571	35.5
133.10139	30.9
135.11676	24.0
145.10107	13.7
147.11678	10.2
149.13219	22.4
159.11687	22.7
161.13173	10.4
167.65353	8.3
192.89185	9.1
193.12270	13.5
215.17950	14.3
231.17361	9.9
249.10890	10.7
269.17374	65.6
307.22641	97.5
308.22906	22.0
309.23264	18.4
432.13821	8.2
483.34384	12.8
501.35635	76.4
519.35938	71.1
525.64716	7.7
554.46082	33.4
554.53430	20.7
555.32892	40.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.4618
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	2.8
57.07067	37.5
60.04519	1.9
67.05499	1.1
69.07063	5.3
71.08622	34.1
71.63675	1.1
73.06544	7.9
81.07025	2.3
83.08615	5.3
85.10172	19.7
87.04462	3.8
89.06019	100.0
90.06454	0.8
91.07610	1.0
93.07031	1.3
95.08596	1.5
95.86848	0.8
97.10142	6.1
99.11723	2.7
103.05445	1.3
103.07523	0.7
107.04980	0.8
107.07038	4.5
111.11691	3.1
113.13259	1.2
117.09104	4.5
125.13216	2.0
127.14845	1.7
130.06509	0.9
130.08629	4.7
131.04900	1.7
131.07021	1.1
133.08582	47.6
141.16364	1.3
161.11661	1.2
177.11212	22.2
191.44157	0.7
195.12209	1.1
203.13713	0.7
206.18961	1.4
211.24202	4.4
213.16679	0.9
221.13910	4.6
228.10217	1.8
229.77240	0.7
234.22142	1.2
239.14815	4.1
246.11456	1.2
255.26842	2.3
256.26392	0.8
283.17493	4.4
299.29456	9.8
327.20099	14.7
343.32068	6.2
360.36536	0.9
413.18240	0.8
449.38361	1.3
493.41159	1.7
510.42944	9.2
536.50519	0.9
537.43512	25.7
538.44000	1.2
554.45380	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	555.17
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.8
55.05482	0.6
61.01118	0.6
69.03397	2.5
69.07040	0.8
70.06561	2.5
70.37226	2.2
71.04958	1.2
72.08122	1.2
73.02877	0.7
79.05478	0.9
81.03397	3.0
81.07023	1.7
84.08112	3.1
85.02882	7.0
86.09689	1.5
91.05449	1.3
93.07021	1.4
95.08565	1.3
97.02879	5.1
99.04432	5.5
103.03923	4.7
103.05444	0.9
107.08568	1.5
109.02853	3.5
109.10125	1.0
115.05431	1.0
117.06966	1.7
119.08588	0.7
120.08098	1.1
121.06512	0.8
121.08431	0.7
121.10107	0.7
126.09142	1.6
127.03895	9.5
128.06177	1.5
129.06960	1.1
131.04880	1.4
131.08525	1.0
133.10039	0.9
135.07988	0.8
135.11673	0.7
144.05682	0.7
145.04913	3.6
145.06473	3.2
147.07991	1.4
149.09584	1.4
160.05182	3.2
161.05896	1.5
163.07503	1.7
169.00980	0.6
172.05157	2.3
173.02304	1.7
173.05925	1.9
175.07478	3.4
185.05954	6.1
187.07437	0.9
188.04649	32.2
189.05124	0.7
191.14305	2.2
203.06990	73.7
204.07356	1.0
205.08559	2.6
209.15269	3.4
216.04143	5.4
231.06470	100.0
232.06802	1.5
249.07538	76.9
250.07903	1.2
266.99368	1.7
271.08081	0.8
285.00552	2.5
309.00607	0.9
333.00186	0.7
411.03912	1.1
495.05652	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.3684
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.5
53.75359	0.2
54.18819	0.2
55.01859	0.5
55.05496	1.0
57.03420	1.0
57.07061	0.4
60.52757	0.3
61.02917	0.9
67.05503	1.7
67.05821	0.3
69.03415	1.5
69.07043	1.2
70.71795	0.9
71.04997	0.9
71.08638	0.5
76.18860	0.3
79.05470	1.6
81.03399	0.8
81.07051	2.4
83.04965	0.3
83.08617	0.9
85.02892	6.6
87.04478	0.3
87.71323	0.3
89.06013	0.2
93.07041	0.7
95.04972	0.8
95.08592	2.6
95.71623	0.3
97.02883	1.8
97.06551	0.3
97.10162	0.5
99.04469	0.3
105.04519	0.3
105.07030	0.3
107.04942	100.0
108.05255	0.7
109.02869	0.5
109.10133	0.9
121.06435	0.5
123.11700	0.4
127.03905	1.1
133.06516	1.4
145.04955	0.8
145.06477	0.8
147.08029	1.3
157.06464	1.8
159.08064	0.9
165.09122	0.9
173.09494	0.3
185.09514	1.3
193.19394	0.3
203.10756	0.5
211.20627	0.3
221.22591	0.6
251.23734	1.2
255.23180	0.4
269.24805	0.3
313.25473	0.3
331.26270	5.8
339.26797	4.5
357.27814	13.7
358.28326	0.3
375.28915	19.0
376.29199	0.6
404.07455	0.3
554.34955	0.3
554.42896	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.4014
Annotation	LysoPC(20:0)
Peak:m/z	Relative Intensity
52.95340	0.6
55.05495	0.9
56.05012	2.0
57.07076	3.1
58.06597	1.5
60.08154	18.4
67.05475	1.6
69.07071	1.0
71.07368	6.3
71.08607	1.8
81.07041	1.3
83.08616	1.1
85.10165	0.8
86.09690	51.4
94.21075	0.6
95.08578	1.4
98.98423	3.1
104.10725	100.0
105.11046	0.7
109.57465	0.6
124.99978	25.5
127.05956	0.8
163.01546	1.0
166.02605	0.6
184.07307	98.2
185.07730	1.0
185.09413	0.7
208.76083	0.7
252.45958	0.6
258.10999	0.8
369.33560	1.1
534.39050	10.2
552.40131	51.6
553.40430	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.0562
Annotation	Unknow
Peak:m/z	Relative Intensity
59.59438	0.5
68.94044	0.5
70.44002	1.6
70.44389	1.1
83.35984	0.5
94.92981	1.2
96.69965	0.5
97.88744	0.5
112.89585	14.6
114.15190	0.5
120.94564	0.6
136.94025	2.5
148.93915	1.0
186.93091	0.7
192.35915	0.6
209.95602	1.2
210.89575	2.1
210.94028	100.0
211.94315	0.8
228.94139	1.4
230.88438	0.6
246.95284	1.5
263.49786	0.6
270.95209	1.4
288.68811	0.6
370.12860	0.5
381.07883	17.4
419.03470	4.2
483.35110	0.6
553.04718	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.3163
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24083	1.2
53.03930	4.1
55.01860	4.5
55.05250	1.9
55.05503	21.6
57.03418	3.4
57.07058	6.7
58.34230	1.2
61.02905	3.7
63.19685	1.3
67.05500	17.4
69.03419	19.2
69.07059	38.4
69.07446	2.1
69.74267	9.0
70.06576	4.0
71.04977	4.6
71.08626	2.2
72.08126	1.5
73.02898	2.9
79.05478	8.4
81.03405	15.4
81.07046	31.6
83.04986	2.6
83.08608	28.7
84.08128	4.8
85.02895	41.0
85.03419	2.1
85.06510	4.1
85.10159	3.1
87.00819	18.2
87.04395	1.6
91.05473	9.9
93.07025	13.1
95.08588	27.8
97.02882	16.5
97.06520	5.7
97.10162	33.0
98.20750	2.9
99.04442	7.6
99.08104	2.7
101.06024	1.3
105.01852	17.7
105.06997	6.5
107.08565	10.4
109.02869	18.0
109.06436	1.8
109.10139	14.2
111.08085	2.4
111.11707	13.4
113.09631	2.6
115.07563	1.4
119.08569	13.1
120.08053	1.4
121.10127	20.5
123.08006	2.7
123.11651	8.3
125.09617	2.6
125.13245	5.1
127.03899	40.1
129.01837	1.8
129.09099	2.2
129.10178	1.8
130.89479	1.2
133.10092	11.7
134.89076	1.4
135.11676	17.0
137.09590	2.5
137.13211	5.3
139.11163	5.4
139.14792	2.0
143.10693	3.0
145.04939	7.3
147.11682	11.9
149.13264	3.9
151.11166	5.0
151.14803	6.3
153.12709	4.5
155.10582	2.1
157.12190	2.7
159.02869	5.4
161.13222	7.7
165.12764	4.2
169.12218	3.0
171.13805	1.9
175.14763	4.7
179.14284	5.5
182.00069	1.3
183.13853	1.5
191.17873	1.8
193.15823	2.5
193.19489	4.1
197.15277	1.9
200.19807	1.2
210.44554	1.4
213.03928	3.2
217.19467	26.9
231.04927	9.9
235.20543	45.4
253.21594	85.9
254.21886	2.5
271.22635	100.0
272.22952	2.6
289.23776	11.0
318.83371	1.3
320.66992	1.5
358.94827	1.4
361.23764	2.2
379.24872	1.8
465.24591	3.2
476.98032	1.8
483.25491	2.8
554.25427	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	552.207
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74069	0.3
52.73826	0.3
53.03915	0.4
55.01862	0.8
55.05492	0.5
56.05020	0.5
57.03431	0.5
60.04525	0.7
61.02917	0.6
62.56082	0.3
69.03416	1.9
69.63673	2.1
69.64088	0.9
70.06303	0.3
70.06586	4.1
71.04962	0.7
72.08135	1.4
76.02191	0.3
78.72125	0.4
79.05482	0.8
81.03401	1.4
81.07049	0.6
84.04467	0.9
84.08120	1.3
85.02895	5.6
86.09698	2.4
86.99030	0.5
87.04434	0.5
91.05476	1.8
93.07029	0.7
95.04961	0.5
95.08603	0.7
97.02869	1.7
97.06513	0.5
99.04475	0.4
101.52867	0.4
102.05513	0.5
103.05426	0.6
105.07020	1.1
107.04923	0.4
107.08582	0.6
109.02831	0.7
109.06485	0.4
109.10108	0.5
111.04443	0.6
112.02143	0.6
112.84564	0.4
115.05434	2.1
117.07007	0.5
119.04916	1.3
120.08099	1.8
121.06512	1.2
122.03642	0.6
123.04379	0.6
123.08048	0.3
125.06007	0.7
127.03902	0.9
129.10263	0.9
131.04938	0.6
135.04411	0.6
137.05959	16.2
140.62170	0.4
143.02792	0.5
143.04924	1.8
145.04913	1.2
145.06442	1.0
146.26744	0.4
147.04384	1.2
149.05945	2.2
150.06752	1.2
151.03889	1.6
153.05470	0.8
158.03612	0.9
159.04416	1.4
160.05168	2.1
161.05876	0.6
163.07495	0.7
173.05925	2.0
175.03897	1.3
175.07533	4.2
177.06966	1.2
180.08711	0.4
181.06419	0.5
186.03085	3.0
187.03867	2.1
189.03264	0.9
189.05429	0.6
191.06996	0.6
194.07240	1.1
201.05421	13.0
203.07022	0.9
204.05582	0.5
205.04601	0.5
205.06471	8.5
206.07243	0.9
207.06424	0.5
207.08110	0.6
209.09683	0.5
217.06490	0.5
219.04568	0.4
219.06479	1.5
219.08299	0.9
221.05992	1.4
221.09547	0.8
222.06749	5.5
223.07484	0.7
223.13278	0.8
227.06944	0.7
233.05942	11.9
234.06740	2.9
235.07492	0.8
236.08339	0.6
237.06670	0.6
237.09064	11.3
239.06985	1.4
247.07510	2.1
248.08340	0.6
249.05392	1.6
250.06221	9.7
251.07025	2.1
253.08426	0.5
254.05820	0.5
254.09599	0.4
259.09692	0.7
261.05441	3.0
262.06143	0.8
263.07132	0.6
264.07745	3.5
265.08560	27.9
266.09280	2.6
267.06525	2.4
268.07181	0.6
275.07034	1.1
277.04971	1.3
277.08499	0.7
278.05679	5.1
279.06461	1.2
279.10165	2.3
281.08179	0.6
282.08942	2.0
283.09644	1.5
292.07239	10.3
293.08026	24.1
294.08698	1.6
295.05991	1.4
297.11166	9.5
299.12714	0.5
303.05042	0.9
304.05362	1.1
305.08136	0.8
307.09601	27.4
308.10004	0.6
310.08289	4.1
311.09302	0.5
325.10660	100.0
326.11008	2.7
337.10556	0.8
343.11722	57.1
344.12201	1.6
355.11481	1.2
369.94006	0.4
373.03610	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01842	0.8
55.05510	0.5
57.03419	0.6
61.02915	1.0
64.90022	0.5
68.62910	0.5
69.03403	2.0
69.07076	0.5
69.70622	0.5
70.06583	4.9
71.04958	0.6
71.17806	1.2
72.08137	1.1
79.05486	0.9
81.03394	1.5
81.07056	0.9
84.04518	1.1
84.08148	2.2
84.82705	0.5
85.02892	5.5
86.09684	3.0
91.03960	0.5
91.05456	2.0
93.07014	0.5
95.04966	0.8
95.08596	0.5
97.02882	1.1
99.04417	0.7
100.97252	0.4
105.07027	0.9
107.04910	1.1
109.02855	0.6
109.10168	0.7
111.04382	0.6
115.05456	2.3
117.06963	0.7
119.04936	2.0
120.08109	0.9
121.06469	0.8
122.03651	0.6
122.73788	0.6
125.05946	1.1
127.03887	1.1
129.10199	1.2
130.04958	0.5
136.07518	0.4
137.05962	17.3
143.04875	1.4
145.04942	1.1
145.06433	1.7
147.04382	1.1
149.05931	1.6
150.06732	1.0
151.03883	1.5
153.05400	1.1
158.03650	0.9
159.04373	1.8
160.05161	2.0
161.05946	0.9
173.05931	2.6
175.03847	1.5
175.07515	4.2
177.05487	0.6
177.06934	1.1
186.03061	3.0
187.03896	1.7
187.07512	0.5
189.05458	0.7
193.09744	0.5
194.07246	1.5
199.17924	0.6
201.05417	12.5
201.07130	0.8
203.06961	0.9
205.04584	0.5
205.06461	8.8
207.06378	0.6
211.07455	1.1
217.06395	0.6
219.06462	1.6
219.08234	1.0
221.05983	1.2
221.09482	0.9
222.06728	5.3
223.13351	0.6
226.06087	0.6
227.07059	1.3
233.03745	1.0
233.05957	12.2
234.06715	3.0
235.07477	0.7
237.09042	12.3
238.09352	0.5
239.06940	1.8
247.07520	1.9
249.05455	1.8
250.06219	9.9
251.06927	2.2
253.08577	1.1
254.05611	0.7
254.09312	0.6
261.05447	1.9
263.29779	0.5
264.07770	3.3
265.08566	26.8
266.09326	1.8
267.06445	1.5
275.07010	0.9
277.04953	1.6
277.08411	1.1
278.05670	4.5
279.06491	1.5
279.10159	2.3
282.08856	2.4
283.09503	1.5
290.05780	0.8
292.07245	9.8
293.08035	21.8
294.08658	1.5
295.05875	1.8
297.11172	7.9
303.05167	0.6
304.05432	1.4
305.08051	0.6
307.09601	25.9
308.09866	0.8
310.08191	3.5
325.10657	100.0
326.11078	1.3
337.10611	0.6
343.11716	57.1
344.11761	0.5
355.11798	1.3
357.56412	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.4242
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.4
54.86158	2.2
55.05500	12.5
57.07060	9.9
65.03954	4.1
67.05498	30.5
69.07052	19.4
71.08634	2.8
71.45609	3.2
79.05487	25.0
80.09303	2.4
81.07049	47.2
83.08611	7.5
85.06526	3.9
91.05468	40.1
93.07034	61.0
95.04955	7.2
95.08594	42.4
97.10160	2.8
103.05495	3.7
105.07014	66.5
107.08580	54.1
109.06448	3.1
109.09438	3.9
109.10143	46.3
115.05438	2.7
117.06992	16.4
119.08559	100.0
121.10124	50.3
123.11704	12.4
128.06209	5.9
129.06976	8.9
130.07779	6.1
131.08553	30.6
133.10112	61.4
135.11671	42.5
137.09607	3.3
141.06973	4.1
142.07771	14.6
143.08559	21.0
144.09314	6.3
145.10100	71.8
147.11687	17.8
149.09567	5.1
149.13274	5.1
151.11194	3.1
155.08540	9.2
156.09338	11.3
157.10112	39.8
158.10890	4.3
159.11673	34.7
160.12419	3.6
161.13216	14.3
164.40080	3.1
165.06978	2.7
167.08551	4.7
168.09309	2.9
169.10112	16.2
170.10918	5.7
171.11664	22.4
173.13228	23.8
175.14815	41.4
179.08511	4.7
181.10098	8.1
182.10873	5.8
183.11650	13.9
185.13223	12.6
187.14775	15.1
189.16370	4.0
193.10115	5.9
194.10959	6.6
195.11699	13.7
196.12466	3.8
197.13202	22.4
199.14766	8.2
201.16324	16.5
205.15869	2.6
207.11719	6.6
208.12439	3.6
209.13203	15.6
211.14835	10.5
213.16183	4.1
219.17328	4.6
221.13298	5.5
223.14777	13.7
225.16246	5.7
231.11192	2.7
233.13338	3.8
235.14821	7.0
237.16469	4.2
239.17952	3.1
241.19504	3.8
251.17879	3.9
253.19466	4.4
257.18829	2.9
259.20496	3.2
261.16431	5.7
265.19568	4.6
267.21115	5.9
275.17905	3.0
285.22128	4.1
345.25797	4.3
380.05386	2.8
399.31339	2.8
415.30139	2.5
429.31400	2.7
459.36389	3.8
551.42273	34.8
551.49579	4.0
551.62616	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	551.2119
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.1
55.01854	3.0
67.05487	0.8
69.03427	1.4
70.06592	5.5
71.62681	1.2
72.08142	2.5
73.70110	0.8
79.05479	6.5
79.54649	0.7
81.03398	1.2
81.07027	1.1
84.04495	1.4
84.08121	2.5
85.02895	2.9
85.32790	0.7
86.09698	4.2
90.04677	1.0
91.05469	5.1
93.07045	1.4
95.04937	2.0
95.08587	1.0
97.02882	0.8
97.06519	2.4
100.75961	0.7
102.04691	1.0
102.05504	0.7
103.05457	20.5
104.09719	0.7
105.03431	0.8
105.07020	67.6
106.07319	0.8
107.04942	1.7
109.02833	1.4
109.06535	0.8
110.07151	0.9
115.05440	14.3
118.04129	8.7
119.04934	2.0
120.08055	1.3
127.03949	1.0
129.10208	1.7
131.04916	13.0
132.05664	1.1
132.18542	0.8
133.02847	1.9
133.06477	62.3
135.08031	1.1
136.07573	1.1
137.05991	2.7
137.09560	1.0
143.04953	1.6
143.06026	5.1
145.04951	0.9
146.03636	1.3
147.04364	5.1
148.05173	6.5
149.05991	1.3
149.09581	0.8
151.03795	2.0
161.05963	100.0
162.06352	0.9
163.07553	11.5
173.05937	1.1
177.05432	1.1
178.06230	1.0
179.07021	2.4
191.07007	70.4
192.07375	1.0
193.08591	48.6
227.16484	1.6
239.11983	0.8
303.04977	3.1
303.13098	0.9
318.42917	0.9
357.90073	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.3734
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	3.9
55.05507	18.7
57.03431	16.0
57.07061	4.6
61.39370	2.6
63.46206	2.3
67.05502	41.3
68.14502	2.6
69.03425	3.8
69.07063	11.6
70.75248	2.3
71.04983	5.8
79.05485	48.0
81.07050	43.4
83.08613	8.7
85.02907	3.0
91.05470	24.8
91.38017	3.0
93.07036	41.3
95.04993	5.6
95.08585	28.5
97.02906	9.0
97.10145	4.2
99.04453	12.6
105.07009	12.8
107.04952	17.4
107.08596	52.3
109.06503	4.2
109.10152	12.1
111.04481	5.4
113.19128	3.0
115.05449	3.2
117.07014	30.8
119.08585	11.5
121.06508	11.0
121.10143	11.9
125.09605	5.5
130.04999	8.5
131.08545	5.9
133.10138	6.4
135.08043	59.0
135.11684	6.7
145.06488	7.9
145.10063	4.7
147.11685	5.5
149.13263	4.1
153.09090	11.0
161.13237	4.0
163.07545	60.6
181.08583	9.5
184.07320	4.2
192.17467	5.2
199.09636	98.7
220.20598	9.1
221.20886	8.1
243.21008	6.0
255.12256	100.0
261.22061	17.2
295.53381	3.1
335.25781	90.8
345.54865	2.9
375.38120	5.2
376.39313	6.1
377.39658	12.5
421.42212	3.8
506.43634	22.4
515.33685	55.2
521.27173	3.3
550.46869	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	550.3861
Annotation	Unknow
Peak:m/z	Relative Intensity
54.69472	0.2
55.05505	2.1
56.05027	1.7
57.03425	0.5
57.07061	1.2
58.06567	1.5
60.08154	15.9
67.05489	1.3
69.07056	2.1
70.06575	0.4
70.15002	0.8
70.15427	0.5
71.07362	6.4
71.08629	0.3
73.83690	0.2
77.60487	0.3
79.05476	0.7
81.07042	1.7
83.08616	1.3
85.10168	0.3
86.09692	50.0
93.07002	0.8
93.67881	0.3
95.08582	1.4
97.10143	1.1
98.98445	3.9
104.10728	98.0
105.07005	0.6
107.08594	0.4
109.10127	0.5
121.10117	0.4
124.99984	28.1
143.01021	0.4
159.13824	0.2
163.01523	0.9
166.02505	0.3
184.07312	100.0
258.10983	1.1
336.28723	0.3
367.31970	1.0
392.39078	0.4
393.39047	0.3
473.30127	0.5
518.34888	0.3
532.37549	9.2
550.38617	47.9
551.38843	0.8
566.35028	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.3728
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	2.2
55.01862	1.2
55.05501	10.6
57.03430	7.9
57.07057	1.9
58.78659	0.7
60.08144	1.8
65.03937	1.4
67.05494	31.9
67.14316	0.7
69.03421	1.2
69.07054	8.6
71.04989	2.5
71.07362	0.9
73.02901	1.0
74.09724	0.8
79.05481	30.8
81.03424	1.4
81.07043	28.9
83.04982	2.4
83.08601	8.4
84.31104	0.9
85.06548	1.5
86.09703	4.9
91.05461	12.4
93.07026	41.4
95.04957	7.0
95.08591	32.8
97.02901	1.6
97.06516	2.2
97.10139	1.4
98.20729	2.8
98.98450	0.9
99.04450	1.8
99.08096	1.8
104.10725	12.6
105.04488	1.0
105.07003	9.0
107.04936	4.8
107.08574	19.5
107.31425	0.7
109.06525	1.8
109.10134	7.1
117.07008	6.9
119.08543	8.5
121.06483	2.3
121.10123	18.8
123.08067	1.3
123.11684	2.2
124.99996	3.4
125.05991	1.1
130.07848	1.2
131.08528	3.9
133.10103	5.1
135.08017	1.5
135.11673	28.8
139.07530	1.0
145.10107	16.4
147.11652	2.7
149.09660	1.1
149.13229	2.7
159.11679	2.1
163.11153	33.3
173.09625	1.2
173.13246	1.9
181.12218	5.2
184.07315	12.4
212.12463	0.9
215.17940	5.2
221.92419	0.8
227.12747	46.8
233.18988	5.9
283.15359	35.8
290.21548	0.8
294.32266	0.8
302.76898	0.7
307.22623	100.0
308.22913	1.6
409.35046	1.6
471.24289	0.8
515.33618	51.4
532.37238	1.0
550.38483	5.3
550.46765	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.2537
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98388	0.8
56.05024	20.4
57.03416	0.8
58.05413	0.9
58.06581	2.8
61.01141	12.2
67.05466	0.7
69.03431	0.8
70.02948	1.2
70.06585	7.6
71.21561	2.0
72.08144	0.9
74.06065	21.8
75.02697	0.9
82.06566	24.7
83.04913	0.7
84.04491	5.5
84.08113	3.0
85.02901	1.7
86.06081	0.7
86.09206	1.1
86.09695	17.5
88.03983	4.7
95.08597	4.2
96.03173	0.7
96.08926	1.4
100.07597	3.1
101.07172	1.3
104.05312	22.3
105.40166	0.8
109.10117	1.0
110.06020	1.9
111.05550	1.3
112.11214	2.9
113.05072	0.7
119.08549	1.9
120.08112	1.1
123.08049	1.6
124.87362	0.8
125.07110	1.6
126.05508	9.1
127.08657	100.0
129.06578	2.4
129.10184	1.5
130.04973	6.2
130.06853	2.1
132.10170	9.0
135.11610	0.9
136.03993	0.8
138.05446	1.7
141.13850	1.3
143.08148	0.8
144.06538	20.4
149.09587	1.2
150.09888	1.0
153.06558	1.4
154.04958	2.3
155.08142	2.8
158.11703	1.1
161.13110	0.7
169.13345	2.1
170.09239	1.8
171.07614	5.2
174.05870	1.6
175.08984	35.0
177.05515	1.2
186.05780	1.3
187.14441	2.7
189.08653	16.7
197.12828	3.9
199.07086	4.3
201.06888	2.0
202.10121	1.0
203.08450	22.3
203.10356	1.1
207.13739	4.0
208.14105	5.5
215.13823	3.8
217.08162	38.8
218.91098	0.7
219.07983	1.8
233.14928	17.1
243.13383	2.1
246.12669	0.9
247.07462	5.8
270.11029	0.9
284.16040	3.3
296.92047	0.7
304.93936	0.8
312.15402	2.8
318.11121	19.3
330.16562	20.5
348.12329	2.4
348.17609	11.4
352.18622	0.9
374.13715	3.1
376.11981	0.8
391.16428	2.3
401.14890	5.3
419.15903	25.1
461.20868	1.8
479.21164	1.2
486.23703	2.1
489.20514	0.8
504.24942	1.4
514.22858	2.7
519.20215	0.8
532.24286	16.3
550.25391	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	550.1702
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	2.2
60.24414	1.3
67.05470	1.9
69.07043	2.1
69.72328	2.8
69.72746	5.8
70.06579	1.8
79.05502	2.1
81.03371	1.2
81.07050	2.5
83.08607	2.2
89.03891	6.0
91.05454	4.4
93.07028	1.8
95.08591	2.8
102.04655	8.2
103.05447	11.4
105.03362	1.5
105.07000	5.3
107.04933	1.5
115.05438	1.7
117.03356	15.2
119.04942	2.4
119.08559	2.4
130.04124	16.9
131.04913	62.8
133.02832	3.0
133.06468	2.9
133.10121	1.8
137.05962	3.2
145.02831	54.9
146.03581	1.6
147.04378	17.2
148.05157	1.7
149.02313	5.7
149.05969	7.5
161.05945	11.6
162.06744	52.3
163.03949	2.1
163.07530	17.6
167.08513	2.9
175.03871	8.0
175.07677	1.3
177.01877	4.2
177.05458	81.1
177.06824	3.1
179.03288	1.6
186.05460	2.9
187.07426	3.0
189.05457	1.7
195.08031	5.8
205.06520	3.5
207.08054	3.0
212.16623	1.4
215.03291	3.1
223.07603	6.4
231.06523	2.6
233.06013	2.7
251.07051	8.2
265.05054	2.5
279.06613	7.2
279.09491	1.2
307.05969	72.3
339.08594	100.0
391.97559	1.3
409.09106	10.2
433.25781	2.4
539.12341	1.5
549.48602	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	550.1754
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02902	1.5
69.03409	3.2
71.57296	1.8
73.02882	1.7
80.20055	1.0
81.03376	1.9
85.02885	17.9
89.03902	1.4
90.04187	1.1
95.01295	1.9
97.02863	4.1
107.04936	3.8
117.03298	1.4
123.04400	1.8
127.03886	2.9
131.04884	1.5
135.04384	10.6
139.03871	3.1
145.02831	7.6
145.04919	3.1
147.04364	4.1
149.02318	4.4
151.03760	1.1
153.05437	100.0
161.05934	1.5
163.03874	94.4
175.03902	3.5
177.01794	4.1
177.03868	2.9
177.05394	2.3
181.04893	5.0
187.03854	1.7
189.05301	2.3
191.03273	2.1
195.06497	61.1
200.60156	1.3
203.03362	53.8
205.04837	6.7
213.05594	1.2
215.03319	8.1
217.04883	1.1
221.04440	1.4
228.39758	1.0
229.04884	1.6
231.02734	6.4
233.04285	6.7
233.62378	1.0
235.05890	2.3
261.03891	5.2
271.22021	1.1
275.05402	2.4
279.04929	14.2
291.04956	14.9
303.04953	2.2
321.05930	11.6
339.07056	82.0
353.08664	1.5
357.07919	1.7
371.09689	10.0
390.78955	1.3
401.99979	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.3932
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	7.2
55.01857	4.5
55.05252	1.5
55.05503	18.9
57.03427	6.9
57.07073	12.0
61.81674	0.9
65.03921	3.9
65.81901	1.1
67.05494	36.5
69.03419	4.1
69.07054	16.4
70.87701	2.1
70.88092	2.3
71.04984	3.1
71.08620	2.0
78.67109	1.1
79.05482	30.1
79.05949	1.6
81.03406	8.9
81.07044	32.5
82.23183	0.9
83.04967	4.1
83.08612	9.0
85.06525	2.8
85.10135	0.9
91.05466	34.8
93.07027	25.6
95.04958	8.8
95.08595	23.2
97.06528	1.9
97.10165	3.8
99.08071	2.1
103.03941	1.2
103.05463	2.1
105.04509	1.0
105.07014	31.3
107.04948	5.5
107.08579	14.7
109.06500	3.4
109.10148	8.8
111.08060	2.8
115.05434	4.7
117.06998	17.6
119.08567	19.9
121.06481	5.1
121.10135	9.0
123.08087	1.7
123.11708	1.7
125.09616	1.2
128.06216	6.5
129.05536	1.3
129.06981	18.6
130.07782	1.6
131.04976	1.5
131.08554	19.4
133.06454	5.9
133.10130	11.4
133.93657	1.1
135.08049	2.0
135.11674	5.8
137.09612	1.5
141.06967	11.8
142.07777	3.4
143.08554	16.5
145.06442	4.7
145.10103	12.3
147.08038	3.2
147.11678	7.5
149.09596	2.5
149.13261	2.1
152.06204	1.1
153.06963	3.4
154.07713	2.1
155.08540	16.4
156.09395	1.5
157.06493	3.4
157.10109	11.3
159.08012	5.4
159.11688	8.5
161.09625	2.9
161.13235	3.1
163.14882	1.6
165.06996	7.4
165.12778	1.3
166.07823	3.8
167.08549	12.7
168.09366	3.0
169.06387	1.1
169.10103	14.2
171.08089	4.3
171.11684	10.5
173.09616	3.0
173.13266	3.7
175.11192	2.2
175.14842	1.5
177.12788	1.8
178.07750	5.9
179.08546	11.5
179.14233	1.5
180.09331	2.7
181.06491	1.2
181.10104	15.0
182.10843	1.6
183.08063	3.6
183.11655	10.1
185.09630	3.6
185.13263	4.4
186.83488	1.0
187.11142	1.8
187.14789	2.2
189.12794	3.2
189.16325	2.2
191.08562	6.1
192.09340	4.1
193.10097	14.4
194.05054	1.0
194.10939	2.4
195.08089	3.3
195.11714	9.6
196.12436	1.5
197.09660	4.2
197.13269	7.0
199.11185	3.1
199.14894	3.0
201.12752	1.5
201.16454	1.1
202.07788	1.6
203.08565	2.6
204.09340	3.2
205.10097	9.6
206.10938	3.8
207.11676	13.5
209.09599	2.3
209.13245	7.1
211.11143	4.0
211.14804	4.9
213.12645	1.6
213.16348	2.8
215.17825	1.3
217.10149	3.6
217.15877	1.2
218.10873	3.1
219.11670	8.6
220.12450	2.2
221.09660	1.8
221.13225	8.0
223.11220	2.6
223.14870	4.9
225.12712	3.2
225.16380	3.0
227.14232	2.2
227.18156	1.2
231.11751	3.0
231.17508	1.8
232.12350	1.8
233.13184	7.1
233.19075	1.5
234.13945	1.9
235.11284	1.9
235.14822	6.9
237.12718	1.4
237.16455	2.4
239.14304	1.9
239.18079	1.7
241.19656	1.6
245.13345	2.5
247.14784	4.8
248.15562	1.1
249.16440	4.8
251.14407	1.7
253.19650	1.9
255.17531	1.7
255.20944	1.2
257.19171	1.5
259.14734	1.2
260.15610	1.3
261.16434	3.6
263.17935	3.8
265.15857	1.4
265.19553	1.5
267.21103	1.3
269.22620	2.0
275.17923	2.7
277.19519	3.3
279.21045	1.8
289.19403	1.8
291.20929	2.1
293.19162	1.1
293.22650	1.6
295.20868	1.6
297.22037	1.2
305.22586	1.9
307.20374	1.2
309.22098	2.3
309.25555	2.0
311.23486	1.3
317.22629	2.9
319.24207	4.5
320.25134	1.2
321.22198	1.6
321.25848	2.0
323.23495	1.2
329.22714	1.4
331.20624	1.3
331.24274	2.8
333.25763	1.3
335.23663	2.0
337.25421	1.9
347.27463	1.7
363.27136	2.6
373.29105	1.3
377.28452	3.0
387.26355	1.1
393.27692	1.3
439.33569	2.1
447.36752	1.6
457.34613	16.0
475.35739	17.8
479.31076	1.4
493.36783	5.0
513.31866	2.1
531.32098	1.7
531.38806	2.1
549.39355	100.0
550.39874	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	549.1233
Annotation	Pratensein 7-O-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
53.03918	1.6
53.51081	0.5
55.01852	1.1
57.03434	0.8
61.02901	0.6
67.05476	1.1
68.99779	0.8
69.03127	0.5
69.03419	5.2
69.07054	0.9
70.06582	2.8
71.04984	0.8
72.08139	0.4
73.02898	1.2
80.38924	0.4
81.03412	6.2
81.07023	1.3
84.08138	1.1
85.02886	7.2
85.87839	0.6
86.09697	1.3
87.00806	2.9
91.05454	1.0
93.07018	1.5
95.04965	0.5
95.08566	1.1
97.02905	2.5
97.06483	0.5
98.21505	1.0
99.04436	1.2
105.01833	2.5
105.07040	0.9
107.04955	1.3
107.06684	0.4
107.08596	0.7
109.02862	5.1
109.10113	0.6
119.08518	0.5
121.02843	1.6
121.10132	0.6
123.04430	0.5
125.02343	0.7
127.03897	6.9
129.10214	0.8
133.10043	0.5
137.05891	0.6
145.04941	2.1
145.12755	0.5
147.07996	0.6
151.03862	0.6
159.02876	3.0
167.03363	2.3
179.03279	0.8
185.60342	0.4
192.60239	0.5
194.29686	0.5
197.60854	0.5
227.07051	0.8
231.04973	0.8
242.99666	0.4
258.05161	4.5
285.61838	0.5
286.04678	3.3
301.07010	100.0
302.07446	1.3
499.86020	0.6
544.20142	0.5
549.21899	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.4454
Annotation	2-hexaprenyl-6-methoxyaminophenol
Peak:m/z	Relative Intensity
51.02366	0.2
52.32755	0.2
53.03938	0.6
71.40732	0.3
79.05483	9.6
91.05464	0.5
93.05746	0.2
93.07034	0.6
95.04951	1.2
103.05457	15.0
105.07002	1.4
107.04942	8.8
107.07285	0.2
109.88631	0.2
118.06535	3.9
120.08105	0.4
121.06491	0.7
121.08854	0.2
131.04919	4.6
131.07332	0.3
132.08072	2.4
133.08875	0.5
144.08066	0.2
146.09625	4.0
149.05984	0.2
160.11209	1.2
174.12721	0.4
176.07074	0.3
178.65459	0.2
188.14296	0.4
190.08685	0.4
202.15918	0.3
204.10292	0.2
216.17445	0.3
246.14903	0.3
246.22331	0.3
258.22211	0.3
260.23639	0.2
266.11771	0.7
272.23721	0.7
274.25317	0.6
280.13312	0.4
286.25266	0.5
292.73972	0.2
294.14883	0.8
300.26776	0.2
344.26038	0.2
400.39316	19.3
401.39679	0.4
504.47266	0.2
519.18286	0.2
548.44556	100.0
549.44824	1.8
576.25641	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.2117
Annotation	Unknow
Peak:m/z	Relative Intensity
69.84177	2.7
72.08124	0.5
74.02422	0.5
80.85683	0.4
86.09684	0.5
88.24870	0.4
91.05441	0.4
112.66931	0.4
115.05409	0.8
117.06995	1.0
118.06524	14.5
130.06519	1.2
132.08064	4.5
142.06506	1.4
143.07274	1.7
144.04387	0.9
144.08057	9.9
146.05981	56.6
159.09158	5.8
160.07465	1.1
163.03853	0.6
170.06003	3.5
175.11813	0.6
188.07036	100.0
189.07358	0.9
205.09689	52.0
206.10080	0.5
249.34245	0.5
363.14612	0.4
459.83606	0.4
495.63397	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.2
60.04517	0.3
61.02921	0.4
63.02365	0.3
69.03421	0.8
69.52912	0.8
69.53343	0.7
70.06580	1.7
71.06268	0.2
71.75169	0.2
72.08134	1.1
74.06065	1.4
81.03409	0.4
83.06445	0.2
84.04501	0.2
84.08137	0.9
85.02892	2.5
86.09682	1.3
89.03891	2.5
91.03970	0.2
97.02879	0.6
106.04134	0.2
107.04953	0.4
110.07116	0.3
117.03359	10.4
127.03908	0.5
128.10683	0.2
129.10233	0.5
134.03627	0.5
135.04413	0.8
143.04680	0.2
145.02820	36.1
149.05951	3.8
158.05859	0.2
162.03029	0.2
163.03911	0.5
173.12762	0.2
175.10715	0.3
177.05440	100.0
178.05769	0.4
179.03404	0.2
185.09204	0.5
186.05496	0.8
194.44470	0.2
203.10300	0.3
284.15918	0.4
302.16971	0.5
312.09006	0.2
324.53278	0.2
351.10260	0.2
355.67520	0.2
369.11633	0.9
388.10837	0.3
415.25638	0.2
548.28876	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.3705
Annotation	LysoPC(20:2)
Peak:m/z	Relative Intensity
55.05497	1.5
55.45788	0.2
56.05027	1.5
57.03416	0.3
57.07064	0.3
58.06559	1.5
59.07370	0.3
59.72113	0.2
60.08154	17.1
66.94938	0.2
67.05495	3.1
69.07062	1.3
69.46585	0.8
69.47011	1.1
70.06581	0.2
71.07362	7.0
79.05476	0.8
81.07040	3.2
83.08598	0.6
86.09690	53.9
87.10001	0.3
91.05471	0.4
93.07034	0.9
95.08598	2.3
97.10144	0.4
98.98455	4.0
104.10725	100.0
105.11042	0.6
107.08603	0.6
109.10159	0.7
119.08534	0.3
121.10125	0.4
124.99982	29.6
133.10114	0.2
135.11584	0.3
143.01096	0.4
163.01517	0.6
166.02695	0.3
184.07307	93.9
185.07813	0.2
258.10968	1.0
262.90668	0.2
365.30368	0.4
367.63037	0.2
394.70361	0.2
530.35938	9.2
548.37036	42.3
549.37262	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.4454
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77953	0.2
51.02341	0.2
53.03895	0.5
61.98672	0.2
68.86002	0.2
71.40515	0.3
77.03889	0.3
79.05482	9.3
79.71503	0.2
87.97797	0.2
91.05447	0.4
93.06974	0.8
95.04961	0.9
103.05452	17.9
105.07012	1.9
106.06530	0.2
107.04938	10.7
118.06522	3.6
121.06438	0.5
130.06450	0.3
131.04907	5.6
131.07271	0.4
132.08076	3.2
132.16795	0.2
133.08847	0.9
134.09650	0.2
144.08022	0.4
146.09625	6.5
148.07545	0.2
149.05890	0.4
160.11211	1.2
174.12740	0.2
188.14297	0.5
190.08556	0.5
197.94359	0.2
202.15877	0.6
216.17476	0.4
230.18932	0.3
244.20567	0.3
246.14862	0.2
246.22144	0.6
257.00079	0.2
258.22107	0.5
266.11618	0.5
272.23584	0.6
274.25266	0.5
280.13232	0.8
286.25247	0.4
290.71884	0.2
294.14850	1.1
300.26755	0.2
308.16400	0.2
330.24356	0.2
400.39316	24.9
401.39828	0.6
477.49414	0.2
504.47653	0.5
548.44537	100.0
549.44824	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.3628
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32692	1.9
50.79021	2.3
53.03952	2.3
55.05495	7.8
57.03428	4.3
57.67620	2.2
60.08141	3.8
61.02906	6.9
62.70379	2.1
65.03925	2.5
67.05497	31.9
69.07050	8.5
71.60603	2.1
71.61028	3.5
73.40919	2.3
75.27197	1.8
79.05470	23.9
80.20101	2.1
81.07051	36.5
83.08595	4.3
85.02879	8.8
85.06539	2.5
85.68188	2.1
86.09680	7.6
91.03940	4.3
91.05473	12.9
93.07030	26.0
94.07269	2.3
95.04938	2.2
95.08589	27.8
97.02866	4.0
97.06501	4.1
104.10713	15.4
105.07022	9.5
107.04855	3.0
107.08585	15.3
109.10146	18.7
117.06997	6.6
119.08562	9.3
121.10126	18.2
123.11706	14.1
124.99941	3.8
131.08580	13.8
133.10074	8.5
135.11684	16.5
137.13220	5.9
145.10112	7.1
147.11655	7.2
149.13278	12.9
159.11644	10.4
161.13246	6.3
161.18277	2.3
163.14763	10.9
173.13248	10.1
177.16313	5.0
179.14346	2.8
184.07280	14.2
187.14728	6.5
201.16208	3.2
243.21022	28.7
254.66420	2.3
261.22107	100.0
262.22580	3.3
279.23102	3.0
335.25778	14.8
353.26813	43.4
402.33044	2.5
453.94501	2.1
472.17517	2.5
520.33545	2.8
525.13501	2.5
546.36609	11.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1953
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02366	0.8
53.03918	2.2
53.37070	0.5
55.26387	0.5
63.91430	0.5
64.87552	0.5
65.03910	0.6
69.98415	2.6
72.35604	0.5
77.17741	0.4
77.52843	0.5
91.05467	12.5
93.06462	0.9
93.07027	13.8
95.04949	5.0
98.20834	0.8
103.05447	11.0
105.04506	0.7
115.05417	0.7
116.06197	1.3
117.03381	0.7
119.04898	0.9
120.05721	2.7
121.06479	100.0
122.06812	4.7
123.07047	0.8
128.06183	7.1
129.06981	12.1
131.04869	2.4
131.08543	3.8
144.05659	2.2
145.02809	1.6
145.06442	1.0
147.08025	2.6
157.05339	0.5
157.06432	2.1
157.07603	1.8
159.04289	0.6
159.08022	10.3
161.05960	0.7
172.05165	8.1
173.05960	1.6
174.78751	0.5
175.84142	0.5
177.05437	3.4
185.05949	1.4
187.07504	51.9
188.07803	1.0
189.09103	1.0
200.04648	13.3
205.04944	1.3
205.08546	1.5
215.06979	91.4
216.07262	1.0
224.02882	0.5
231.06458	0.7
232.06828	0.5
232.33424	0.6
233.08041	53.6
307.71252	0.6
409.12473	1.1
427.13760	21.3
525.28333	0.5
529.17621	2.1
547.19537	78.9
548.19641	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.3199
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	2.5
55.05495	6.5
56.05034	5.2
57.03431	1.1
57.07059	3.9
58.99578	14.1
67.05498	14.6
68.05040	1.4
69.07060	11.5
69.43489	1.1
70.06585	1.4
71.04955	1.0
71.08614	2.4
71.63215	1.2
74.00655	2.7
76.02216	29.0
76.03980	1.7
79.05475	4.9
80.04993	1.6
81.03392	2.2
81.07043	18.6
83.06078	1.8
83.08602	7.1
84.04495	8.6
85.01109	1.8
85.10172	1.4
86.00650	5.3
86.99042	4.3
87.02668	3.8
88.02206	3.1
89.81712	0.8
91.05464	4.0
93.07034	5.4
94.06541	1.0
95.04940	1.7
95.08591	18.0
96.05286	0.8
97.01092	0.9
97.06519	1.0
97.10164	5.2
101.04223	2.5
102.05511	2.9
103.05448	1.2
105.06990	3.0
107.04965	1.3
107.08584	3.4
108.08098	1.0
109.06491	1.0
109.10139	7.6
111.02630	2.5
111.11718	1.8
112.03944	2.1
114.03748	2.1
114.05523	2.3
116.01656	23.4
117.07051	1.1
119.08542	2.6
121.10109	2.6
123.11704	2.2
125.09579	2.1
129.06598	2.5
130.04987	4.6
131.04945	1.8
131.08569	1.6
133.10144	2.6
135.11656	1.6
137.13200	1.0
142.03183	3.3
143.02718	1.7
143.08519	1.1
144.01115	10.2
145.06064	1.4
145.10045	1.4
162.02188	22.0
179.04808	11.1
181.06219	1.0
189.03329	2.2
233.05867	1.4
238.25224	3.3
239.23578	1.6
245.05853	1.1
250.25345	1.0
253.19739	1.9
262.22406	1.0
267.15891	1.1
268.16272	0.9
270.22498	3.9
285.24252	1.5
296.23993	11.1
296.26047	3.7
297.22372	2.2
308.08981	2.2
314.25085	10.7
350.26837	1.9
356.22369	3.6
377.74438	0.9
399.26727	100.0
400.26544	1.8
417.27307	1.5
428.82468	0.9
453.27515	3.5
453.33368	1.2
471.28702	5.2
472.35233	1.0
528.30780	2.7
528.37915	4.5
546.31732	8.2
546.38702	10.2
548.84521	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.3546
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.4
55.05505	2.5
56.05019	1.3
57.03434	1.0
58.06601	1.2
59.96677	0.4
60.08151	17.5
65.03925	0.6
67.05494	5.5
67.05823	0.5
68.05833	0.4
69.07059	1.4
70.63019	0.3
71.07365	6.2
79.05482	4.0
81.03407	1.5
81.07040	5.0
82.07374	0.9
83.04948	0.5
83.08610	1.4
85.02905	0.6
86.09689	50.9
86.51601	0.3
91.05455	2.3
92.05778	0.8
93.07031	4.4
94.07333	0.6
95.04967	1.0
95.08589	3.5
96.08935	0.6
97.06528	0.6
97.10143	0.8
98.98461	3.9
104.10725	100.0
105.06998	2.2
106.07336	0.5
107.08553	2.3
108.08871	0.5
109.06539	0.4
109.10151	1.4
111.08074	0.5
119.08557	1.8
120.08899	0.6
121.10120	1.3
122.10476	0.6
123.11696	0.8
124.99978	28.1
125.09591	0.5
131.08556	1.1
133.10091	1.0
135.11656	0.8
135.18158	0.5
143.00995	0.5
145.10098	0.9
147.11697	0.8
149.13173	0.5
159.11656	0.5
161.42354	0.4
163.01456	0.7
173.13234	0.4
175.11067	0.4
184.07304	99.4
193.12228	0.8
194.12616	0.6
211.13248	0.9
212.13605	0.8
258.10965	1.4
262.22369	0.6
268.16190	0.5
302.25674	0.5
336.26260	0.5
363.28540	0.6
436.32779	0.5
454.33731	0.7
469.26990	0.4
472.34171	0.4
528.34143	8.0
546.35278	41.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.3183
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.7
55.01856	1.1
55.05510	5.1
57.03431	3.3
57.07054	1.4
62.06068	0.9
65.03947	0.5
67.05494	6.3
69.03401	0.6
69.07053	5.8
69.32235	6.1
71.04979	0.9
71.08618	4.6
79.05479	4.3
81.07045	10.5
83.04960	0.9
83.08608	3.5
85.06518	0.8
91.05444	4.0
93.07034	6.2
95.04948	0.7
95.08031	0.9
95.08594	8.4
97.06522	2.2
97.10133	0.9
98.21520	1.2
98.98449	2.8
99.08067	2.6
105.07007	5.4
107.08575	6.6
109.06497	6.3
109.10148	3.1
111.08066	1.1
117.07027	0.7
119.08569	9.0
121.06516	1.4
121.10113	5.2
123.08040	12.7
123.11669	1.6
125.09648	1.3
128.84442	0.5
131.08559	2.3
133.10114	7.1
135.08029	6.0
135.11673	1.8
137.09607	1.3
137.13162	0.6
140.77382	0.6
143.08534	0.9
145.10117	3.3
147.11661	4.8
149.09593	1.5
149.13257	2.1
157.10114	1.2
159.11707	2.2
161.09595	1.4
161.13217	1.1
165.12669	0.8
167.14375	1.4
173.02110	0.8
173.13249	0.9
175.14787	5.1
177.12686	3.3
177.16348	0.9
179.12703	1.0
179.14276	19.8
185.13377	0.6
189.16437	0.7
191.14378	1.1
193.15854	1.5
198.05350	0.8
203.14386	0.7
205.15918	3.5
205.17560	0.6
263.19983	1.7
271.20493	1.0
277.21484	0.7
289.21552	5.2
289.24692	1.0
293.21207	1.3
303.26785	1.9
313.25284	0.8
314.79111	0.6
319.22623	0.8
331.26273	12.9
337.24048	1.3
349.27380	5.2
361.27066	0.7
374.30411	1.6
375.28796	1.8
387.28824	4.5
405.29932	100.0
406.30206	2.1
485.26456	1.1
503.27640	4.8
528.31122	0.7
546.24585	0.7
546.31812	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	545.3832
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	4.1
55.01851	2.5
55.05502	18.9
57.03426	7.1
57.07058	2.2
64.44712	1.0
65.03926	2.8
67.05493	43.2
69.03395	3.0
69.07054	9.7
69.44020	3.2
69.44439	6.3
70.23882	0.9
71.04977	4.1
71.08611	0.9
79.05480	37.2
81.03407	28.5
81.07043	41.4
83.04979	5.7
83.08609	14.7
85.02892	11.0
85.06530	2.7
91.05470	33.1
91.05905	0.7
93.07030	38.8
95.04959	17.1
95.08591	25.7
95.09220	1.0
97.06516	3.9
97.10160	5.6
99.08085	1.4
103.05457	1.4
105.07011	25.2
106.74356	1.0
107.04954	3.9
107.08583	19.3
108.08966	1.0
109.06488	2.6
109.10147	10.6
111.04393	1.5
111.08019	4.8
113.06023	1.3
115.05434	1.4
117.07001	6.7
119.08559	20.7
119.09349	1.8
121.06509	1.7
121.10125	18.3
123.08050	3.1
123.11710	2.8
125.09625	4.2
127.71594	1.1
129.06975	7.4
131.08540	13.7
133.06491	1.7
133.10110	12.1
135.08055	1.5
135.11652	9.7
137.09610	2.3
137.13309	1.3
142.07773	1.6
143.08527	2.7
145.10109	8.6
147.07996	2.2
147.11665	10.6
149.09598	4.5
149.13268	3.4
151.11165	1.2
152.05664	1.5
155.08502	1.8
157.10112	8.1
159.11670	5.1
161.13229	4.2
163.11157	2.1
165.12717	2.7
171.11658	1.7
173.13260	4.1
175.11179	5.4
175.14798	2.8
177.12718	1.3
183.11598	0.9
185.13161	1.2
187.14833	2.8
189.11185	2.3
193.12193	23.1
194.12535	1.0
197.13144	1.1
201.16412	1.2
211.13255	29.7
213.16435	1.3
227.12888	1.8
228.23154	1.2
232.20625	1.5
243.20999	1.7
261.22104	5.7
267.15912	6.7
285.22015	2.0
289.21579	1.6
301.25311	2.8
303.22986	1.6
317.24500	1.6
335.25809	5.2
421.25143	1.3
435.32434	2.4
453.33850	2.8
471.34695	2.8
487.91290	1.0
509.36496	1.5
527.37244	21.7
545.38300	100.0
546.38794	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	545.3829
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.9
55.01852	4.5
55.05500	23.7
57.03425	7.4
57.07059	1.6
60.08150	7.3
64.85339	1.2
65.03918	2.7
67.05493	49.6
69.03400	2.1
69.07058	14.4
70.81474	2.2
71.04964	4.4
71.07381	2.0
79.05482	39.6
81.03409	26.6
81.07045	47.1
83.04971	5.4
83.08609	17.7
85.02896	8.7
85.06519	2.6
86.09695	17.7
90.44112	1.0
91.05465	29.0
93.07030	35.9
95.04957	15.7
95.08583	27.8
97.02887	1.2
97.06508	4.7
97.10146	9.8
98.98448	1.8
104.10728	32.5
105.07012	25.4
107.04950	4.8
107.08582	19.4
109.06489	5.0
109.10148	15.5
111.08051	5.1
115.05463	1.6
117.06995	9.2
119.08563	21.3
120.10085	1.2
121.06496	3.9
121.10123	15.9
123.08041	2.5
123.11706	6.2
124.99974	8.5
125.09621	7.3
127.97524	1.0
128.06230	1.6
129.06924	5.9
131.08534	15.3
133.06468	2.9
133.10112	14.0
135.08073	3.2
135.11652	7.9
137.09584	2.1
139.11139	1.4
141.06987	1.6
142.07770	1.3
143.08540	3.6
143.10576	1.6
144.09303	1.2
145.10072	10.5
145.11128	1.3
147.08087	2.6
147.11649	12.9
147.12634	1.3
149.09608	3.1
149.13264	3.9
155.08530	2.3
157.10085	7.2
158.67075	0.9
159.08052	1.3
159.11685	9.4
161.13290	3.4
163.11147	2.3
163.14861	1.7
165.12711	1.6
169.10147	1.9
171.11673	4.5
171.29060	1.1
173.11819	2.0
173.13130	6.5
175.11174	3.9
175.14890	2.3
175.83966	0.9
181.10086	1.1
183.11671	1.5
184.07312	29.8
185.13255	2.4
187.14832	2.7
189.11240	3.4
193.12222	19.2
197.13286	1.5
199.14801	2.1
201.16422	1.3
211.13237	15.0
211.14970	1.5
215.14394	1.5
227.12659	5.1
243.21104	2.4
249.14912	1.6
249.39076	1.1
256.26550	1.5
261.22186	9.0
261.24658	1.6
267.15826	11.9
273.22006	1.2
285.22150	3.5
301.21976	1.9
301.25076	8.5
303.23007	2.3
317.24789	2.3
335.25760	9.3
341.24753	1.1
417.25940	1.1
431.09323	1.6
435.27374	1.6
435.32623	4.5
453.33652	7.1
458.58536	1.0
460.35110	1.1
471.34756	3.5
506.31625	1.2
509.36740	1.6
527.37286	35.5
528.34705	2.3
545.38312	100.0
546.35419	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	545.3831
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.8
53.32738	1.2
55.01860	4.5
55.05502	29.7
57.03429	9.3
57.07066	2.9
59.05003	1.7
63.65997	1.3
65.03929	2.8
67.05493	48.1
69.03418	3.8
69.07054	15.2
69.53248	12.3
69.88579	1.2
71.04986	3.4
71.08653	1.3
75.09698	1.2
78.46058	1.1
79.05482	33.1
81.03403	23.8
81.07043	48.6
81.07510	2.7
83.04980	4.9
83.08612	18.4
85.02906	1.8
86.09698	3.6
91.05460	30.0
93.07027	31.5
95.04957	21.1
95.08593	32.6
96.62805	1.3
97.02946	1.5
97.06504	4.1
97.10159	17.1
98.21467	1.8
103.05481	2.4
105.07014	27.7
107.04923	7.6
107.08572	26.0
109.06515	4.3
109.10138	21.9
111.08071	4.9
117.07017	9.7
119.08574	25.9
121.06490	7.4
121.10127	15.0
123.08096	3.6
123.11687	8.9
125.09628	13.9
128.06238	1.7
129.07033	5.5
131.08545	21.7
133.06496	3.0
133.10109	17.3
135.08043	6.5
135.11691	9.4
137.09637	4.6
137.13196	1.4
143.08565	8.6
145.10094	12.2
146.98174	4.1
147.08037	2.8
147.11652	12.0
149.09618	3.9
149.13261	5.6
151.11264	1.7
153.09160	1.7
155.08542	2.6
157.10098	9.3
159.08060	1.5
159.11653	11.0
161.09596	2.0
161.13290	6.1
163.11151	3.2
163.14786	2.3
165.12753	1.8
167.08583	1.7
169.10139	4.3
171.11726	5.1
173.12004	2.2
173.13206	8.1
175.11205	3.1
175.14851	3.6
181.10118	2.3
183.11661	2.2
185.13243	3.7
187.14832	4.6
189.09441	1.8
189.11223	6.4
189.16470	1.4
193.12183	8.3
195.11771	1.9
197.13319	2.3
199.14897	1.7
201.16328	3.1
211.13258	1.7
213.16522	1.6
223.13235	1.5
227.12746	16.8
227.14481	1.6
233.15414	2.5
243.15941	1.7
243.21259	3.0
247.17009	3.2
249.15019	2.0
261.22186	12.0
267.15869	22.2
285.22058	3.6
299.23740	2.5
300.28723	1.3
301.25180	15.8
303.23184	2.6
317.24872	2.0
335.25735	19.8
339.23297	1.8
359.25858	1.4
365.36008	1.4
403.24820	1.9
417.31723	2.4
421.25793	4.5
435.27356	3.2
435.32672	7.2
453.33575	12.5
471.34409	8.7
486.26971	5.2
509.36496	2.7
527.37244	58.8
528.37561	2.5
545.38416	100.0
546.38745	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	545.1799
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02362	0.9
53.03932	3.3
54.14240	0.7
54.73771	0.7
67.05492	1.4
69.94038	4.7
70.06578	2.2
77.03879	0.9
78.14970	0.7
79.05479	2.0
81.03391	1.1
81.07027	1.0
84.08128	0.8
85.02865	0.8
85.22067	0.7
89.03886	4.6
91.05459	12.4
93.07021	15.9
95.04948	5.9
95.08576	1.1
98.21427	0.7
103.05437	11.9
105.04499	1.5
105.07013	0.9
115.83350	0.7
117.03360	10.9
117.06967	0.9
121.06480	100.0
122.06806	0.8
128.06165	0.9
129.07007	0.9
134.03574	0.8
137.05988	3.0
145.02815	31.5
145.10052	0.9
149.05980	4.9
159.08003	1.0
162.03033	0.8
177.05437	64.0
186.05466	1.8
187.07611	0.9
187.79141	0.8
198.06831	1.5
209.05661	0.8
213.09099	2.5
216.04138	25.9
226.02545	1.2
231.06474	44.9
231.93739	0.8
239.07051	2.5
241.04953	3.4
260.08276	0.9
268.03754	0.8
275.10660	0.8
277.08514	1.6
283.05847	5.3
287.06955	1.1
288.07809	2.1
289.08646	1.6
303.10229	1.3
304.10672	0.8
305.08017	1.7
308.06787	4.2
316.07288	2.1
317.07941	1.1
320.10336	1.7
321.07486	1.0
323.09137	4.5
331.09592	2.4
333.07321	1.5
335.12634	1.7
345.11227	1.8
346.08142	1.3
347.09122	2.7
348.10022	2.3
361.10757	3.2
363.12204	10.2
389.10110	2.0
407.11115	8.9
425.12231	82.6
426.12613	1.9
527.29651	0.8
545.17993	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.1802
Annotation	Verbenachalcone
Peak:m/z	Relative Intensity
50.01593	0.2
51.02375	0.7
53.03938	2.5
54.11456	0.2
60.46992	0.2
61.47813	0.2
62.82246	0.2
70.22234	0.9
71.31785	0.2
75.56119	0.2
77.03919	0.7
79.05485	0.3
81.03396	0.4
81.07046	0.2
90.45255	0.2
91.04882	0.4
91.05471	10.5
93.07034	13.8
95.04957	5.0
103.05457	11.8
105.04485	1.1
121.06491	100.0
122.06839	1.5
145.02843	0.4
165.05472	0.6
177.05435	1.1
203.03378	0.4
206.79097	0.2
213.05382	0.5
216.02644	0.1
216.04155	5.7
224.04663	0.5
231.06480	11.7
239.07021	1.4
247.07355	0.2
259.07602	0.2
268.03644	0.3
277.08652	0.5
283.05963	1.3
287.07047	0.9
288.07788	0.5
289.08609	0.6
290.09537	0.2
291.10117	0.2
292.91663	0.2
301.08426	0.4
303.06485	0.9
303.10001	0.4
304.07037	0.2
305.08170	0.6
315.06497	0.4
316.07303	0.6
317.07983	0.5
318.08841	0.3
321.07294	0.3
330.08563	0.2
331.05994	0.5
331.09656	0.6
332.06674	0.4
333.07581	0.7
335.12854	0.3
346.08313	2.5
347.09067	1.6
348.09940	0.8
361.10641	7.3
362.11044	0.4
363.12222	3.1
379.11703	0.6
389.10150	0.6
403.11841	0.5
407.11221	3.3
425.12296	1.1
499.17139	0.4
527.16943	14.6
528.17401	0.6
545.17798	1.3
567.62811	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.1798
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02362	0.5
53.03942	1.2
58.69775	0.2
60.84268	0.2
65.03916	0.2
67.63704	0.2
70.36638	0.8
77.03928	0.5
78.40498	0.2
78.51498	0.2
79.05448	0.3
82.32087	0.2
89.03889	0.3
91.05462	6.6
93.07025	9.5
95.04942	2.7
103.05443	7.5
103.06126	0.4
103.39774	0.2
105.04482	0.6
115.49225	0.2
117.03345	0.3
119.04905	0.7
120.05711	2.2
121.06479	65.3
122.06802	0.9
128.06328	0.2
129.06964	0.4
131.04942	0.2
132.05545	0.2
137.05905	0.4
145.02811	0.8
149.05870	0.2
153.24736	0.2
159.07961	0.4
160.05214	0.2
163.03897	0.3
171.27870	0.2
173.02310	0.6
174.03082	2.5
176.20335	0.2
177.05455	1.6
185.05937	0.3
187.03893	1.4
188.04663	0.5
198.03127	0.4
201.01805	0.8
201.05452	0.5
203.07024	0.8
213.05304	1.0
216.04135	100.0
217.04451	1.5
217.46558	0.2
219.06493	0.4
231.06474	92.2
232.06810	1.4
245.08041	0.7
407.11026	0.5
425.12231	12.8
426.12830	0.4
545.17963	32.8
546.18286	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.4509
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00850	0.4
61.83466	0.5
63.08281	0.4
64.92460	0.3
65.29525	0.4
69.07201	0.4
69.31223	0.8
69.31629	3.7
69.35845	0.4
81.07203	0.5
84.04125	1.5
84.04693	3.4
85.02518	2.0
85.03091	5.9
86.03756	0.5
86.06202	0.8
87.04573	0.4
93.05976	0.5
95.01468	0.6
95.08766	0.7
98.20769	0.9
102.05011	0.7
102.05759	3.4
107.07491	0.7
112.04138	0.7
113.02551	0.6
118.05830	1.4
118.06769	7.6
120.36597	0.4
130.04161	3.0
130.05237	21.5
131.07487	0.4
132.07257	0.8
132.08328	6.5
133.09090	1.3
134.84035	0.4
144.08206	0.6
146.08655	1.3
146.09897	11.2
147.10315	0.4
160.11488	2.0
174.12947	0.8
180.10439	0.6
188.14528	0.9
202.16023	0.8
204.62383	0.5
244.21060	0.6
258.22302	1.1
260.23901	0.5
272.23975	1.4
274.25626	0.8
274.89822	0.4
285.00317	0.4
286.25546	1.5
400.39249	0.7
414.40860	100.0
415.41162	6.8
429.42624	1.1
440.42209	0.8
443.44186	0.9
454.40378	0.9
481.44797	0.5
484.41501	0.4
526.42389	5.0
543.44708	70.2
544.45337	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	543.4511
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53524	0.3
61.29371	0.3
62.21468	0.3
67.05505	0.4
68.52004	0.4
69.23267	0.6
69.23669	3.6
81.07071	0.5
84.04486	5.3
85.02886	8.6
86.06098	0.7
87.04491	0.4
92.03278	0.3
95.01334	0.9
95.08607	0.6
100.16352	0.3
102.05523	3.8
107.07364	0.7
112.03981	0.4
113.02374	0.7
118.06519	10.3
130.04976	25.7
131.07301	0.7
132.08054	4.5
133.08911	1.3
134.09717	0.5
142.51022	0.4
144.08131	0.6
146.09628	10.5
146.10704	0.7
147.10091	0.3
160.11189	2.0
174.12779	0.5
188.14357	1.2
202.15900	0.7
216.17458	0.5
243.14853	0.4
244.20589	0.6
258.22217	0.9
260.23669	0.5
272.23737	0.8
274.25259	0.8
276.40479	0.4
286.25238	1.2
288.26999	0.7
414.40857	100.0
415.41217	5.4
428.42209	0.4
429.42819	0.6
440.42255	1.0
443.44327	0.5
454.40173	0.7
484.41672	0.4
501.26785	0.5
526.42523	5.0
543.44952	73.0
544.44861	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	543.279
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82074	0.9
52.92210	0.9
53.03932	4.1
54.40905	1.0
55.01865	6.9
55.05504	9.5
57.03422	3.3
57.07055	3.2
57.63802	0.9
61.02907	1.0
61.89642	1.0
66.98438	0.9
67.05164	1.7
67.05500	20.2
68.99757	1.9
69.03418	10.3
69.07059	12.0
70.06602	4.6
71.01326	1.5
71.04977	3.6
71.08628	10.7
71.39192	1.0
71.62952	2.2
72.08141	1.0
72.46327	0.8
73.02876	1.2
79.05489	14.5
81.03413	17.4
81.07047	27.6
83.04977	5.2
83.08617	7.5
84.08150	2.1
85.02890	8.5
85.06529	2.3
86.09704	1.6
87.00809	4.2
89.82130	0.9
91.05470	11.4
93.07042	17.6
95.04938	9.2
95.08041	1.5
95.08600	20.0
97.02882	9.7
97.06516	6.6
97.10138	3.5
99.04438	4.2
99.08065	7.5
103.05484	1.3
105.01843	2.0
105.07014	11.7
105.58110	1.0
107.04942	3.2
107.08594	9.6
109.02859	13.8
109.06490	5.7
109.10140	9.0
111.04457	2.4
111.08051	3.9
113.09631	2.4
115.03923	1.9
117.07003	3.8
119.08559	7.7
121.06458	2.7
121.10142	7.2
123.04426	1.2
123.08069	3.2
123.11700	5.8
125.05904	1.1
125.09619	2.1
127.03907	15.8
128.06195	1.4
129.01790	1.5
129.06981	2.8
129.10179	1.1
131.04811	1.4
131.08519	4.3
133.06435	2.1
133.10143	8.6
135.04448	1.2
135.08060	1.0
135.11710	6.0
137.09612	1.7
137.13231	1.7
141.06970	1.2
143.08545	2.9
145.04881	2.8
145.06511	1.6
145.10094	3.4
147.04419	1.2
147.08037	2.8
147.11665	5.8
149.09532	1.1
149.13220	2.8
151.11151	10.6
151.14821	1.0
153.12695	8.2
157.10097	1.6
159.08028	1.4
159.11679	2.8
161.09496	1.2
161.13237	6.5
163.03918	1.3
163.11156	4.1
163.14778	1.4
165.12704	4.0
171.11636	1.9
173.13196	1.1
175.14793	3.1
177.12746	1.1
179.10510	1.1
179.14293	4.4
181.12161	1.9
181.15843	1.2
185.13286	1.8
189.12680	1.7
191.14314	1.0
193.12231	1.7
193.15837	1.6
195.08203	1.0
201.12746	1.3
207.13821	1.2
209.11720	1.0
213.03935	7.4
213.60985	1.0
221.15350	1.9
231.04965	2.3
231.13788	1.5
231.21022	2.6
233.15210	1.2
249.22122	8.0
259.20529	2.7
263.16187	1.1
269.15259	1.1
273.14880	1.1
277.21591	100.0
283.20309	1.1
287.16251	2.5
293.38153	1.1
295.22650	30.4
305.17703	1.4
319.22617	4.6
357.24191	1.6
361.23502	4.8
367.22650	2.2
375.25281	1.3
379.24493	1.6
381.25980	1.8
385.23782	7.1
403.24719	8.2
421.25610	3.4
489.24313	3.0
507.25955	11.2
525.26801	2.3
543.32117	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	543.17
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.7
55.01862	2.2
55.05495	0.3
57.03431	1.8
58.21628	0.2
61.02927	1.4
68.99760	1.1
69.03414	8.6
69.51265	1.2
69.51707	1.4
70.06550	0.9
71.04980	1.4
72.08124	0.4
72.83920	0.3
73.02899	1.9
74.42516	0.3
75.04458	0.5
81.03400	7.3
84.08117	0.9
85.02885	20.5
86.09684	0.7
87.00293	0.4
87.00809	7.0
87.04415	0.4
91.03923	0.6
91.05485	0.6
97.02869	6.6
99.04431	4.0
100.65504	0.3
105.01846	4.8
106.30105	0.3
107.04902	0.7
109.02857	7.1
117.01807	1.1
117.06981	0.9
119.08537	0.3
120.08053	0.6
120.21329	0.3
121.06503	0.4
127.02939	0.6
127.03886	12.3
129.01796	0.9
129.06898	0.5
129.10219	0.5
137.05948	1.1
142.07695	0.4
145.04939	4.2
145.06459	2.2
147.02806	0.4
147.03137	0.6
147.04376	7.7
147.07999	2.0
149.05917	0.8
157.10060	0.4
159.02831	3.7
161.05934	1.5
163.03819	0.7
167.08563	0.3
170.86479	0.3
171.08083	0.5
173.05939	4.8
173.41885	0.3
175.07523	7.2
177.03920	0.5
177.05414	0.6
179.06949	0.8
185.05905	0.5
185.09625	1.0
187.07475	0.8
189.03886	0.5
189.05417	3.7
189.09074	1.3
191.06996	3.4
198.06723	0.7
199.07504	1.1
200.08264	0.4
201.05424	10.6
201.09023	0.6
203.06984	0.8
203.10498	0.3
207.06464	5.6
212.08318	0.4
213.05539	2.0
213.09033	5.1
215.06979	0.5
215.10587	0.7
217.08492	0.4
219.06474	30.2
220.06795	0.3
223.07454	0.5
228.07787	4.0
229.08525	1.2
231.04730	2.2
231.10060	2.3
241.08551	9.2
247.09596	1.3
249.11258	0.9
259.09610	25.5
260.92514	0.3
277.10651	24.5
278.10977	0.4
295.11697	100.0
296.12064	1.3
300.16785	0.4
364.18652	0.4
470.88461	0.3
543.30988	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.1315
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36278	0.4
62.98232	0.4
71.61620	0.7
94.93003	0.5
96.80628	0.4
96.92220	0.4
112.89621	0.5
114.89327	2.5
127.22766	0.4
135.71722	0.4
139.91460	2.9
200.97525	0.8
240.86610	1.0
264.25098	0.4
363.06839	2.1
366.10861	0.5
381.07892	10.3
382.08380	1.7
435.64972	0.5
442.85779	0.6
543.13153	100.0
544.13715	1.5
553.87604	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.1315
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96550	1.1
69.85306	1.0
69.85724	2.6
84.08163	0.5
86.09691	1.7
97.02874	0.6
98.97552	1.5
112.99059	0.7
116.98631	1.5
122.53815	0.6
128.98639	0.8
131.00172	1.7
132.10153	1.2
134.30583	0.6
136.06168	0.8
149.01219	1.1
156.87477	0.6
158.99585	0.6
173.03001	0.7
181.01834	0.8
182.08182	0.5
193.03781	1.2
203.02231	0.7
203.03966	0.7
219.01790	1.0
237.02776	1.5
240.01305	0.7
245.05287	0.8
274.99908	0.6
293.05139	0.6
300.73514	0.6
305.05405	1.5
321.10275	1.5
323.06445	1.7
325.75198	0.6
337.08084	1.7
355.09027	0.9
363.06952	3.0
376.10538	0.7
381.07880	11.4
511.10034	0.6
543.13147	100.0
544.13770	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.4256
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05267	0.7
55.05492	3.3
57.07067	37.7
59.22153	0.5
64.30949	0.5
67.05495	1.8
69.07064	2.7
69.78831	0.8
69.79238	3.0
71.08620	27.2
72.08958	0.7
73.02905	1.0
73.06539	8.1
79.05474	1.2
81.03407	0.9
81.07045	1.8
83.08604	2.5
85.10168	22.7
87.04459	5.5
89.06017	100.0
91.05478	1.4
91.07564	1.0
93.07030	1.4
95.08591	1.8
97.10152	3.6
98.20818	0.7
99.11719	4.2
105.07019	0.9
105.66945	0.5
107.07072	3.7
107.08599	0.9
111.11700	0.7
113.13271	1.2
117.09113	5.1
119.08577	0.6
124.01656	0.6
130.08646	3.8
131.07021	2.0
131.08591	0.6
133.08580	50.9
135.10078	0.7
155.17931	4.9
161.11774	1.0
171.11815	0.6
177.11198	24.3
195.12282	1.0
199.20523	4.8
217.45360	0.6
221.13795	4.9
239.14944	2.3
239.23634	0.6
240.23441	1.6
243.23157	12.4
243.25478	0.9
265.16473	1.5
283.17477	3.0
287.25784	7.5
327.20166	2.0
371.22739	8.6
378.78491	0.5
388.35706	0.9
393.32471	0.6
481.37323	1.6
525.39935	19.4
526.40448	0.6
542.29529	0.6
542.42194	4.1
543.36713	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.4925
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39065	0.3
55.05492	0.4
61.07516	0.3
67.75189	0.3
69.07043	1.2
69.79890	0.3
70.92985	0.6
73.06533	0.4
89.06042	0.8
107.07323	0.6
118.06528	5.6
120.08036	0.5
130.06468	0.7
132.08083	4.3
133.08803	0.8
134.09666	0.3
137.57584	0.3
144.08083	0.4
146.09634	7.3
160.11159	1.5
188.11703	0.4
188.14331	0.6
202.15912	0.6
203.72067	0.3
232.13382	0.7
244.20667	0.4
246.14891	1.1
257.26700	0.3
258.22134	0.4
260.16367	1.8
272.23712	0.7
274.18207	0.5
274.25223	0.6
302.20999	0.3
312.29745	0.6
331.83838	0.3
428.42462	23.7
429.42786	0.3
439.35672	0.3
446.74991	0.3
454.44037	0.3
456.45593	1.0
542.49194	100.0
543.49738	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.3318
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90856	0.5
53.26184	0.5
54.62804	0.5
55.05501	1.6
56.76511	0.5
57.03426	0.9
57.07056	0.9
61.78047	0.6
67.05502	4.6
69.03401	1.7
69.07042	2.1
70.05449	2.9
70.06562	0.9
71.04974	1.5
74.82623	0.5
77.03884	0.6
79.05476	1.7
81.03384	1.2
81.07041	3.8
83.08624	1.4
85.02883	4.0
91.05439	1.4
93.07021	1.7
95.04964	1.5
95.08607	4.0
95.33997	0.6
97.02859	1.3
97.06483	0.7
97.10172	0.8
105.03362	1.0
105.06974	0.7
107.08617	0.7
109.06450	0.6
109.10136	2.1
117.06958	0.7
119.08578	0.6
120.23963	0.6
121.10107	1.0
123.04409	100.0
124.04743	1.0
127.03831	0.9
128.18575	0.6
131.04868	0.7
145.06447	1.0
149.05988	2.8
155.08453	1.3
157.06471	1.1
161.05992	1.3
163.07523	6.2
165.05463	1.5
165.16353	0.7
167.68581	0.6
171.08041	0.7
173.05933	3.3
175.07506	3.3
177.05530	1.1
183.08051	2.4
187.07567	0.9
193.19411	0.7
197.09608	1.4
201.09109	3.9
223.20555	4.1
241.21631	0.7
275.63562	0.5
299.23624	1.3
301.21609	5.6
303.23230	0.7
309.22070	1.2
319.22589	3.4
327.23157	19.0
345.24176	22.9
363.25134	5.7
381.65985	0.6
465.13467	0.5
542.35303	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	542.3165
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	7.0
55.01856	6.8
55.05502	16.8
55.67167	2.3
57.03425	19.4
57.07055	9.1
61.02909	4.8
66.69843	2.4
67.05492	30.5
69.03066	4.0
69.03419	60.8
69.07069	12.5
69.77859	16.6
70.06570	5.5
71.01323	3.9
71.04982	5.4
71.08610	3.3
73.02898	8.5
79.05487	8.4
79.69289	2.3
81.03410	23.1
81.07045	39.7
83.01336	4.2
83.04948	6.1
83.08611	37.8
84.08145	3.1
85.02892	85.7
85.06549	2.6
85.10160	5.6
87.04440	5.6
91.03953	2.2
91.05472	4.8
93.07054	6.4
95.08590	91.6
97.02872	56.7
97.10152	18.1
99.04435	22.4
101.02406	3.7
107.04935	3.8
107.08581	2.6
109.02864	82.4
109.10134	51.7
110.07163	4.1
111.04417	9.4
115.03930	6.2
121.06477	7.9
121.10134	2.7
123.11670	12.6
127.03896	100.0
129.05452	3.8
137.13274	3.1
145.03056	2.5
145.04935	56.3
149.13307	2.5
153.05447	3.4
154.91263	2.3
157.04916	13.4
157.15950	2.6
163.05977	3.9
163.14850	3.3
165.16365	17.4
171.06493	6.5
173.04523	2.6
181.15750	2.7
183.17447	32.2
213.18431	10.2
226.00204	2.5
238.86832	2.4
243.19609	4.4
261.11078	3.3
271.37659	2.4
283.19049	9.1
291.19507	3.8
301.20038	68.3
309.20660	15.4
327.21573	28.2
345.22803	3.1
346.88449	2.6
361.72070	2.6
429.87119	2.8
542.25598	16.9
542.34241	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	542.2436
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.4
55.01855	1.5
55.05515	0.7
67.05164	1.1
67.05493	12.0
69.03412	3.5
69.34209	7.1
70.06575	5.9
71.04977	0.9
72.08144	1.8
78.86032	0.7
81.03407	22.3
81.07047	9.2
84.04467	1.3
84.08121	2.6
85.02907	4.5
86.09686	2.4
92.09052	0.8
93.07015	1.8
95.04935	2.5
95.08596	7.2
97.02883	1.9
97.06493	1.4
99.04449	5.4
99.08101	1.0
106.77222	0.8
107.08541	1.7
109.02864	31.6
109.06509	2.0
109.10139	46.7
110.07156	1.2
115.73184	0.8
119.08547	2.7
121.10113	2.4
125.05997	4.7
127.03893	2.7
129.10216	2.0
137.09596	100.0
137.80727	0.7
145.04971	1.7
155.10643	15.9
165.09091	54.1
183.10135	9.4
201.11188	33.5
219.12267	1.6
285.78821	1.0
309.13278	3.3
327.14331	48.1
328.14532	1.0
345.15396	81.3
346.15317	0.8
363.16422	11.7
457.11603	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.2588
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	1.0
55.40700	0.7
59.33940	0.8
61.02906	1.3
64.39651	0.7
69.03414	1.5
70.06575	7.2
70.93340	1.2
70.93693	1.5
72.08138	2.8
79.05478	1.4
81.03429	1.3
81.07032	1.5
84.04468	1.1
84.08120	2.7
85.02887	5.6
86.09682	4.4
87.10077	0.8
91.05463	1.0
93.07067	0.9
94.04147	0.9
95.04931	0.9
95.08560	0.8
97.02859	1.2
99.04446	1.2
103.05454	4.7
105.07008	3.1
107.04929	1.2
109.02832	0.9
109.06490	1.4
109.10146	1.1
114.16616	0.7
116.07100	1.3
120.08101	1.3
121.06486	4.8
122.03632	4.7
127.03851	1.3
127.31879	0.7
129.07024	0.8
129.10242	1.1
131.04922	7.8
133.06477	17.6
135.08011	4.6
137.05954	100.0
138.06274	1.7
143.04865	0.8
143.08562	1.0
145.04886	0.8
145.06479	3.7
147.08017	1.0
149.05956	1.5
150.10042	0.8
151.07553	5.9
156.43762	0.8
157.06497	1.2
163.07512	28.9
171.08031	2.4
174.06783	1.6
175.07506	3.1
177.08989	1.1
188.04642	3.6
188.08379	1.0
189.09093	4.0
201.09001	0.9
203.06982	7.1
203.10612	5.8
209.08138	2.2
231.06464	7.2
244.09270	0.8
249.07533	11.0
252.15695	3.0
263.10614	2.6
295.13217	16.9
327.15848	33.2
345.16940	3.3
380.20197	1.8
428.59747	0.8
435.35223	0.9
519.14038	1.0
542.25635	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	541.3662
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.9
53.61848	1.5
54.96084	1.8
55.03411	1.9
55.05507	11.0
57.03417	1.7
57.07064	14.9
58.06580	2.0
61.01139	9.7
67.05497	31.5
69.03393	1.9
69.07069	13.4
69.58087	12.4
70.06578	11.3
71.08609	9.3
72.04507	22.2
72.08940	1.8
73.02927	2.2
78.03773	21.1
79.05476	15.1
81.07049	35.4
83.04968	2.4
83.08592	9.4
85.06535	3.5
85.10150	2.5
88.02221	3.8
88.07602	16.4
90.91462	1.7
91.05464	14.2
93.07016	13.7
95.04965	6.0
95.08592	24.7
97.06483	2.4
97.10154	2.8
102.03753	26.0
102.09171	11.2
105.07011	10.1
105.37177	1.8
107.08556	8.5
109.10129	8.6
113.06033	3.6
114.03739	7.5
117.07030	3.7
119.08591	6.6
120.04839	3.3
121.10133	6.1
123.11693	3.2
124.07600	2.9
129.07031	3.3
131.06371	8.4
131.08597	3.9
132.04787	18.6
132.75925	1.7
133.10141	5.6
135.11705	3.9
139.52342	1.8
142.08624	6.8
143.08607	2.6
147.11725	5.0
149.07410	46.0
149.08646	2.5
149.13242	3.1
159.05806	2.8
159.11653	2.6
161.13234	5.0
163.14897	1.8
171.11743	4.9
184.09700	3.1
189.12726	1.7
211.14801	2.0
221.37700	1.9
256.26358	25.7
257.26694	16.4
261.12796	7.6
275.27795	2.6
283.26379	6.1
284.26810	3.6
284.29541	6.4
285.29926	5.1
292.26584	4.5
311.29407	22.9
312.29749	16.9
317.24707	4.1
334.27335	24.2
343.13580	2.0
411.30319	100.0
523.35547	42.1
540.53442	32.7
541.39288	21.7
541.53864	95.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.3577
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	2.1
55.01863	3.6
55.05508	10.7
56.05016	4.6
57.03419	2.7
57.07059	3.9
59.39918	1.8
67.05496	23.7
69.03418	9.0
69.07058	23.4
70.06582	50.2
71.04966	7.2
71.57704	3.0
72.08141	22.4
73.02885	1.7
73.06545	2.8
74.06063	7.9
79.05468	11.9
80.01406	1.7
81.03400	3.0
81.07046	100.0
83.04955	3.1
83.08607	9.5
84.04489	5.8
84.08127	31.8
85.02889	11.6
85.06528	18.3
86.09692	48.0
86.42596	1.7
87.05563	2.5
91.05463	13.8
93.07023	25.8
95.04929	3.6
95.08590	53.1
96.08128	2.0
97.02839	2.2
97.06517	11.6
97.10149	4.1
99.04469	3.1
99.08081	11.8
105.07027	14.3
107.08581	30.6
108.08127	1.7
109.02876	3.6
109.06493	7.8
109.10136	32.1
110.07119	2.9
110.09660	5.1
111.08060	26.0
111.11699	5.1
112.08741	2.2
113.05970	6.0
115.07512	4.0
115.08710	1.9
116.07115	2.6
119.04910	5.2
119.08572	12.3
120.08064	16.2
121.06490	1.8
121.10119	22.3
123.08063	4.0
123.11691	30.2
125.09608	9.8
127.03928	4.1
127.07480	6.3
127.11144	2.0
129.09085	4.8
129.10220	18.0
130.06447	1.7
131.04918	2.2
131.08549	1.9
133.10098	10.0
135.08073	2.6
135.11681	16.0
136.07555	28.6
137.05956	9.7
137.09573	4.5
137.13210	12.2
138.06358	3.6
138.09125	5.9
139.11127	8.6
141.09070	1.8
142.12212	3.4
145.08598	2.6
145.10095	4.9
147.11627	9.9
149.13234	9.4
151.11168	12.8
153.12682	8.9
155.10616	1.7
159.11650	11.5
161.13245	8.2
163.11201	2.7
163.14816	9.3
165.09137	2.6
165.12697	4.7
166.08597	9.2
169.12202	4.4
171.13783	8.1
173.13214	7.2
175.14784	7.9
181.12222	3.4
185.16518	2.0
187.14493	4.9
188.04668	2.7
189.16318	5.0
191.18042	2.7
197.12848	4.0
203.07021	11.2
203.17969	2.7
207.17444	2.6
215.13849	6.2
215.17970	11.7
217.13356	3.3
221.18907	3.3
226.11877	3.6
231.06583	9.2
233.18977	12.7
237.12411	5.5
239.20064	26.3
245.12805	2.6
249.07520	13.1
251.20021	79.8
269.21078	15.6
271.24179	5.1
277.25134	6.6
287.05359	2.6
289.25159	17.3
295.26193	3.2
301.11685	4.9
307.26245	33.1
313.11792	4.6
325.27298	7.0
331.28058	3.1
343.28317	8.6
361.29395	14.4
400.58566	1.9
466.19452	9.7
541.21613	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.2616
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	0.4
56.96522	0.3
60.46500	0.3
67.05495	0.6
69.03395	0.3
69.07061	0.5
69.51260	0.5
69.51668	2.0
70.06570	1.1
72.08142	0.3
79.05482	0.5
81.03388	0.7
81.07043	0.5
83.26189	0.3
84.04472	0.5
84.08107	0.7
85.02896	1.1
85.06518	0.4
86.09682	1.1
91.05448	0.5
93.07037	0.4
93.86743	0.3
95.08588	0.5
96.15191	0.3
97.02876	0.4
105.07024	0.4
107.08546	0.5
109.02811	0.4
109.10168	0.3
114.19450	0.3
121.10159	0.3
127.03920	0.6
129.10178	0.3
149.13226	0.3
173.05945	0.4
184.09042	0.3
185.04085	0.3
203.05272	1.0
203.07010	0.8
221.08099	3.4
221.10167	0.4
259.07846	1.2
275.12738	1.4
275.20068	0.4
293.13669	2.9
293.21207	0.5
305.17297	0.5
361.19629	0.5
379.20886	2.2
453.21127	1.5
455.18851	12.3
541.26111	100.0
542.25354	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.3578
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	2.8
55.05500	11.2
57.03434	2.1
57.07056	7.9
59.04992	2.7
60.60761	1.5
67.05499	25.2
69.03407	5.7
69.06717	2.1
69.07061	35.2
69.57444	14.2
69.68709	1.7
69.89528	1.8
70.06577	5.7
71.04975	5.1
71.08601	2.9
72.08153	2.9
79.05482	14.5
81.03407	2.7
81.07048	100.0
83.08614	10.6
84.08123	6.8
84.77560	1.8
85.02891	6.6
85.06541	11.9
86.09701	4.0
91.05441	4.9
93.07025	40.3
95.04954	1.6
95.08594	66.9
97.06527	8.2
97.10139	4.9
98.20698	3.2
99.08080	6.8
103.05454	1.9
104.05302	3.9
105.07024	13.3
107.08585	38.3
109.06499	2.8
109.10136	49.2
111.08074	16.8
111.11694	7.7
119.08562	10.8
120.08076	2.4
121.10122	24.4
123.11689	63.8
125.09619	4.0
125.13203	2.0
131.08557	3.4
133.10126	10.8
135.11690	18.6
137.09555	2.2
137.13237	19.5
138.60435	1.7
139.11160	7.5
141.12659	3.2
141.90492	1.7
145.10098	3.2
147.11696	10.1
149.13243	26.7
151.11160	6.6
153.12721	10.4
155.14288	4.2
159.11685	3.5
161.13257	6.6
163.14787	7.9
165.12737	4.9
169.12221	7.1
171.13788	8.2
173.13158	2.1
175.14742	4.2
177.16396	5.1
179.14270	1.7
187.13266	11.4
187.14726	2.9
189.16371	4.3
193.15762	2.1
201.16331	2.3
203.17931	3.3
215.17921	1.9
219.21002	1.9
221.18918	2.8
251.20087	3.0
259.24188	3.2
267.95502	1.6
271.24197	9.7
277.25299	11.7
289.25232	42.4
295.26349	13.5
307.26251	68.2
313.11542	2.2
325.27386	22.9
343.28333	4.9
350.59061	1.9
361.29517	3.9
537.49036	2.1
541.40851	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.1906
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01848	0.7
55.05494	1.3
57.03402	0.9
57.07070	0.5
57.59274	0.5
58.46938	0.4
59.04998	0.6
59.57313	0.4
67.05466	1.3
69.03421	2.7
69.07041	1.3
69.34933	1.9
69.35359	2.7
70.06589	2.1
71.04959	0.5
71.08612	0.7
71.96895	0.4
72.08147	0.9
73.06526	0.6
74.06045	0.5
79.05467	1.3
81.03410	2.5
81.07029	1.9
84.08125	0.7
85.02876	1.2
85.06532	0.6
86.09702	2.7
87.00823	0.7
89.60137	0.4
90.82913	0.5
91.05460	1.9
93.07013	1.4
95.04924	0.5
95.08574	1.5
97.02858	0.5
99.08038	0.8
105.06997	1.7
107.04917	0.6
107.08569	0.9
109.02837	1.7
109.10134	1.0
110.06917	0.5
115.05421	0.8
117.06988	2.1
119.08531	1.4
121.10121	1.0
127.03889	1.2
128.06221	0.6
129.06979	1.4
129.10190	0.5
131.04933	0.8
131.08551	1.2
133.10109	0.8
135.07956	0.6
137.09634	0.5
141.06967	0.7
143.08566	0.5
145.06456	2.9
145.10094	0.6
147.07965	1.2
149.02304	1.1
149.05965	0.5
149.09535	0.6
157.06401	0.5
159.08023	3.5
161.05965	3.9
161.09570	2.9
163.07495	1.6
165.12653	0.8
169.10168	0.5
172.05171	0.5
173.05948	6.6
175.07512	4.6
175.11139	0.8
177.05414	1.3
177.09012	0.5
187.07523	11.0
189.09076	1.7
191.06982	4.8
197.09608	1.0
199.21611	0.5
201.12651	0.4
203.07002	13.8
203.10541	2.1
203.14279	0.5
205.04929	0.6
205.08580	9.7
211.11172	1.3
213.09036	0.5
215.06989	20.8
217.08514	1.5
219.10289	0.5
221.08046	58.4
222.08292	0.6
225.09094	0.6
229.12204	4.9
231.10080	0.8
231.13753	4.0
233.08044	37.0
235.09613	1.7
239.10760	2.4
242.09308	1.5
247.13217	2.2
257.11670	20.0
275.12720	61.6
293.13763	100.0
293.20847	1.9
294.14172	0.9
307.25812	0.5
325.14984	0.4
401.23135	0.6
523.25018	0.7
540.81317	0.6
541.25909	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.1908
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.8
55.01860	2.1
55.05492	0.7
57.03421	1.1
61.02904	0.9
67.05491	1.2
68.99751	0.7
69.03417	7.6
69.07035	0.5
70.06567	1.0
70.15771	0.7
70.16187	0.4
71.04969	1.6
72.08147	0.3
73.02917	1.5
81.03407	7.9
81.07061	0.4
83.01331	0.4
84.08138	0.4
85.02892	10.7
86.09692	2.0
87.00825	5.0
87.47006	0.2
91.03919	0.3
91.05450	1.0
91.07592	0.3
93.07022	0.4
95.08585	0.4
97.02879	4.0
98.21493	0.3
99.04431	2.6
105.01847	2.5
105.07007	1.5
107.08566	0.4
107.44675	0.2
109.02867	6.7
109.10152	0.5
113.56085	0.2
115.05429	1.8
117.01828	0.8
117.07007	3.6
119.08578	0.6
120.08099	1.9
121.10159	0.2
123.74891	0.2
127.03899	9.6
129.01816	0.8
129.06969	0.3
135.08069	0.2
145.04938	3.1
145.06450	3.4
147.02818	0.5
147.07983	0.7
149.02344	1.2
149.05952	0.7
157.06439	0.3
159.02855	4.2
159.08011	0.7
161.05934	0.9
161.09613	0.3
163.07516	0.8
168.09232	0.3
169.09949	0.2
173.05957	9.0
174.06639	0.2
175.07526	5.9
177.05400	1.9
177.09090	0.3
179.03329	0.4
187.07520	2.5
191.06996	7.6
196.28136	0.2
197.09496	0.3
203.07002	21.6
205.08563	2.2
209.08051	1.6
211.11125	0.7
213.09106	0.3
215.07011	2.4
221.08054	100.0
222.08357	0.8
225.09021	0.3
227.06966	0.6
229.12173	2.7
231.04958	1.4
231.10069	0.9
231.13792	0.6
233.08067	4.8
233.16470	0.4
239.10654	1.1
242.09435	0.6
257.11694	8.5
275.12732	36.6
276.13028	0.4
289.68564	0.2
293.13782	68.5
294.14178	0.7
307.25922	0.2
379.02991	0.3
423.74469	0.3
443.78534	0.3
497.21475	0.3
541.19904	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.3887
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00288	0.4
53.03944	0.8
55.01870	0.5
55.05503	4.7
56.39736	0.4
57.03424	0.6
57.07069	14.0
57.95529	0.4
58.06586	1.5
60.04513	0.7
67.05494	8.8
69.03423	2.2
69.07060	5.4
70.06583	11.4
71.04984	0.7
71.08620	7.3
71.64112	0.5
71.64524	0.4
72.08145	0.4
73.02908	0.9
73.06577	0.4
74.06078	0.4
79.05478	4.7
81.03406	3.2
81.07050	8.2
83.04968	0.8
83.08607	3.2
85.02882	2.0
85.10168	3.6
87.04460	1.8
88.07620	17.1
89.05468	0.9
89.06019	17.6
91.05473	3.7
93.07030	5.4
95.04973	1.0
95.08594	7.1
97.02869	1.3
97.06540	0.8
97.10135	2.6
99.04437	0.6
99.08097	0.6
102.09164	10.9
103.78942	0.3
105.07018	3.5
106.08656	0.8
107.04968	0.4
107.07065	1.0
107.08572	3.3
109.02868	0.5
109.06476	0.5
109.10147	2.9
111.04423	0.6
111.08075	0.7
111.11746	0.7
117.07008	1.0
119.08562	2.3
121.10141	3.3
123.08022	0.5
123.11724	0.7
127.03893	0.8
129.06985	0.9
130.08641	1.1
131.08585	1.7
132.03413	0.4
133.06540	0.5
133.08591	12.2
133.10049	1.8
135.08047	0.4
143.08546	0.8
145.09061	0.5
145.10161	1.7
147.08046	0.7
147.11723	1.1
149.09641	0.4
149.13217	0.8
151.07553	0.4
153.06888	0.4
157.10144	0.7
159.11743	1.5
161.09595	0.4
161.13251	0.8
169.10066	0.7
171.11707	0.8
173.13307	1.6
177.11200	4.3
177.12450	0.4
181.10187	0.7
183.11684	0.8
187.14798	0.4
189.12787	0.4
213.16319	0.3
221.13835	1.0
238.00264	0.4
239.14877	1.2
242.19157	0.6
256.26321	35.5
259.20538	0.4
261.22162	1.4
274.27359	2.8
277.21753	0.6
283.17548	1.4
283.26291	9.9
283.29312	0.6
284.29465	8.0
301.21704	0.7
303.23254	1.0
310.69974	0.4
311.29401	34.3
327.20093	15.1
351.23312	0.6
369.24237	2.6
370.25793	0.4
387.25189	2.4
405.26303	2.1
423.27335	1.1
454.43936	2.5
508.46823	0.6
540.53644	100.0
541.54053	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.4458
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	4.8
56.34026	0.7
57.07066	36.3
58.06589	1.3
67.05492	3.0
69.07053	5.1
69.26407	1.3
69.26800	6.0
70.06580	12.5
71.08620	29.4
72.08121	0.6
73.02914	1.2
73.06546	3.6
78.43616	0.5
79.05473	1.7
80.80860	0.5
81.07025	3.5
83.08608	5.4
85.10168	14.8
87.04449	2.6
88.07617	15.8
89.06016	69.7
91.05464	1.3
92.88586	0.6
93.07031	0.8
95.08575	4.2
97.10165	4.7
98.21650	0.8
99.11691	1.7
102.09165	12.3
103.05460	2.2
105.07039	0.7
107.04942	1.0
107.07043	2.7
108.85698	0.6
109.10130	1.2
111.11702	2.6
113.13255	1.4
117.09123	2.1
120.08074	0.8
123.11655	0.6
125.13266	1.3
127.14828	1.1
130.08626	3.0
130.24777	0.6
131.04932	1.8
131.06987	0.9
132.08101	1.0
133.08578	37.2
141.16362	0.7
152.60176	0.5
166.09776	0.6
177.11191	16.1
177.12662	1.1
192.17448	1.4
197.22592	1.6
206.19052	1.1
220.20560	2.1
221.13828	3.2
228.10168	2.5
230.24858	0.7
234.22198	0.9
239.14848	1.9
241.25285	1.6
246.11273	1.3
248.23550	1.1
256.26312	37.8
265.16537	0.8
274.27328	3.1
283.17511	2.5
283.26260	8.7
284.29431	8.4
285.27847	5.4
302.30307	0.7
311.29376	34.6
327.20053	14.2
329.30466	4.0
346.34662	3.2
348.36441	0.7
354.24423	0.6
385.20447	0.6
413.98947	0.7
435.37103	0.9
437.59915	0.6
454.44083	0.7
463.14404	0.6
479.39487	1.2
496.41431	15.2
523.41998	15.4
540.44232	22.7
540.53308	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.3422
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.7
55.01861	2.2
55.05500	13.4
57.03428	3.8
57.07061	4.4
59.04996	2.1
60.04511	1.9
61.02917	1.3
67.05495	24.8
68.05051	1.2
69.03405	9.0
69.07059	35.8
70.06579	18.4
71.04986	8.0
71.08606	1.8
72.08141	8.0
73.06540	1.5
79.05489	18.3
81.03411	2.7
81.07043	100.0
82.73461	1.1
83.04961	4.8
83.08591	7.1
84.04482	3.5
84.08135	9.4
85.02903	6.8
85.06519	14.1
86.09686	9.0
88.03978	1.2
91.05468	15.1
93.07026	66.1
95.04953	20.5
95.08591	59.0
97.02885	2.4
97.06518	11.8
97.10165	4.6
99.04436	2.9
99.08073	7.7
103.05460	1.1
105.07017	27.6
105.07733	1.4
107.04970	3.5
107.08580	39.6
109.02861	2.2
109.06504	13.7
109.10136	45.3
110.07143	4.9
111.08075	14.5
111.11703	4.5
113.05965	2.5
115.07533	1.9
117.07005	2.7
119.08557	22.0
120.08091	5.4
121.06490	2.2
121.10121	42.9
123.08070	5.9
123.11689	31.7
125.09591	12.5
127.03887	3.0
127.07527	4.3
127.11188	2.5
127.80098	1.1
129.07068	2.2
129.10193	3.5
131.08545	7.0
133.06302	1.0
133.10103	17.1
135.08058	3.3
135.11661	18.4
136.07590	2.1
137.05963	3.5
137.09572	7.3
137.13258	5.8
139.07497	1.5
139.11150	18.3
141.12726	1.1
142.07652	1.5
143.08499	6.4
145.06462	1.9
145.08652	5.1
145.10068	10.6
147.08075	1.2
147.11668	15.1
149.09676	5.7
149.13243	8.2
151.11177	13.0
153.12714	12.6
155.10640	5.4
155.25830	1.1
157.10080	11.6
157.12219	1.2
158.10941	1.3
159.11671	11.9
161.09700	1.5
161.13205	8.7
163.11221	3.6
163.14795	3.5
165.12720	9.9
167.10658	12.3
167.14162	1.0
169.12212	5.5
171.11662	9.6
171.13809	7.2
173.13226	13.3
175.11140	2.3
175.14799	4.5
177.12698	3.6
177.16383	3.2
179.10649	1.6
181.12216	8.6
182.15396	1.7
183.13792	3.5
185.11679	2.2
185.13258	1.7
187.14792	4.9
189.12794	2.4
189.16406	4.2
191.14345	2.1
193.12097	1.2
201.12416	1.3
201.16351	6.1
203.17915	11.4
204.07440	1.4
205.15923	3.1
207.17409	3.2
213.16339	22.0
217.19467	2.0
219.17447	3.0
221.19012	2.8
231.06509	1.3
231.17380	20.5
237.18491	3.1
249.18460	26.0
255.19557	5.1
267.19516	17.7
269.22522	5.3
275.23581	2.9
281.91589	1.1
285.20563	5.2
287.23657	11.3
293.24716	5.4
305.24677	35.0
306.24673	1.1
323.21979	1.8
323.25739	26.6
334.15961	1.4
341.26779	4.5
359.27621	2.3
377.29019	1.5
539.28943	2.0
539.41833	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.3419
Annotation	Virenamide A
Peak:m/z	Relative Intensity
53.03927	3.0
55.05507	15.0
57.03418	4.0
57.07082	3.7
59.04970	2.3
67.05492	27.1
69.03411	6.5
69.06709	2.8
69.07055	33.3
70.06592	9.1
70.13753	7.9
70.44190	2.0
71.04977	8.7
73.34820	1.7
79.05473	19.1
81.07044	100.0
83.04970	5.1
83.08603	7.8
84.04494	2.5
84.08121	7.6
85.02895	9.1
85.06513	8.0
86.09681	6.2
91.05453	14.2
93.07025	63.5
95.04943	21.8
95.08594	58.1
97.02872	3.1
97.06528	9.0
97.10155	7.3
99.04503	1.9
99.08082	5.5
105.07008	26.4
107.04968	2.7
107.08578	40.6
109.06496	8.1
109.10132	54.0
111.08074	9.3
111.11706	5.2
113.05952	1.9
115.07558	1.8
119.08576	20.0
120.08099	2.6
121.06480	2.2
121.10126	39.9
123.08013	5.7
123.11681	37.8
125.09592	4.8
127.03913	3.1
127.07555	3.6
127.11157	3.4
131.08542	5.8
133.10086	13.9
135.08031	3.5
135.11664	23.0
137.05956	2.7
137.09575	5.1
137.13246	11.4
139.11156	14.1
141.12675	2.9
143.08498	3.4
145.10100	10.1
147.11665	21.2
149.09584	2.9
149.13257	9.3
151.11165	7.1
151.18013	1.9
153.12723	9.6
155.10657	3.4
157.10106	6.8
159.11671	13.7
161.13242	9.8
163.11201	3.9
163.14792	6.0
165.12729	7.4
167.10666	6.4
169.12267	3.9
171.11667	4.1
171.13777	3.5
173.13242	8.5
175.14809	6.4
177.12784	3.8
177.16383	5.4
179.03348	2.0
181.12248	3.9
183.13823	3.5
187.13298	2.2
187.14828	5.7
189.16385	5.4
191.14331	1.8
193.15871	3.3
201.16316	6.6
203.17870	3.6
213.16379	10.0
217.19434	2.2
231.17369	10.3
237.18402	2.3
249.18456	13.5
251.22452	1.9
259.24124	2.6
261.38812	1.9
267.19574	9.7
269.22635	8.8
275.23688	4.2
277.24979	2.8
285.20694	2.3
287.23624	17.8
293.24667	6.7
305.24695	41.5
306.60123	2.0
323.25751	29.0
341.26688	3.8
539.11633	5.0
539.29315	4.5
539.41046	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	539.3418
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.6
53.47222	2.7
54.19623	3.0
55.05496	14.7
56.26521	2.7
57.03403	4.1
57.07058	8.3
59.04979	4.3
67.05495	40.4
68.24660	2.4
69.03424	10.3
69.07053	42.4
69.07413	4.9
69.57195	19.9
70.06578	11.2
71.04978	8.2
72.08147	3.9
73.05960	2.8
79.05489	24.6
81.03397	4.3
81.06567	5.1
81.07045	100.0
83.04953	8.5
83.08611	13.8
84.04500	3.1
84.08127	11.8
85.02902	12.7
85.06518	13.0
86.09691	22.0
91.05457	18.5
93.07034	59.5
95.04963	15.0
95.08589	68.3
97.02921	3.9
97.06509	9.4
97.10160	5.2
99.08084	7.2
103.05448	2.4
105.07008	24.8
107.04919	2.6
107.08575	42.1
109.06506	8.7
109.10138	93.9
111.08065	12.1
111.11692	10.1
119.08569	23.6
120.08092	9.0
120.90036	3.5
121.10130	40.3
123.08103	3.0
123.11686	55.8
125.09591	7.0
127.03864	3.9
127.07511	5.3
127.11158	7.0
129.07001	3.1
129.10210	5.9
131.08543	9.8
133.09268	3.1
133.10103	18.3
135.08047	4.2
135.11662	29.7
137.05962	4.9
137.09537	6.5
137.13234	11.0
139.11166	16.2
145.10094	9.0
147.11694	17.7
149.13214	11.8
151.11118	20.9
151.14723	3.1
153.12723	21.5
155.10657	9.1
157.10112	7.5
159.11664	10.7
161.13194	4.4
163.07492	3.7
163.11266	4.7
163.14743	4.1
165.12732	13.8
167.10622	4.1
167.14220	3.1
169.12236	9.3
171.13794	4.8
173.11652	4.2
173.13129	5.1
175.14722	5.0
177.16379	4.1
179.10632	2.6
181.12193	14.0
183.13788	11.0
185.13182	3.2
187.14772	5.8
189.16357	4.5
193.15988	3.0
194.94504	2.7
201.14769	4.6
201.16411	4.7
203.17970	6.0
207.17323	3.4
213.16368	8.5
217.19505	4.4
227.88768	3.1
231.17409	3.9
236.53137	3.8
245.18884	3.3
249.18407	7.1
267.19601	5.3
269.22577	10.2
275.23669	6.2
287.23557	23.7
293.24728	14.8
305.24704	83.6
311.25864	5.1
323.25772	56.1
341.26700	7.0
359.27631	4.5
539.18304	3.4
539.29352	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.1785
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.8
55.05498	5.0
57.07041	1.7
59.04973	0.9
61.02881	0.7
67.05162	0.9
67.05493	10.6
69.03414	5.0
69.07056	7.1
69.53934	4.8
69.64378	0.4
71.04961	1.7
79.05470	1.8
81.03415	4.7
81.07043	10.8
83.04964	6.6
83.08600	3.9
85.02877	2.8
85.06524	1.7
86.09682	0.6
87.00803	3.4
87.08060	0.6
87.43431	0.5
91.05437	1.8
93.07034	5.8
95.04935	0.7
95.08590	19.2
97.02879	7.2
97.06507	0.7
97.10162	0.9
99.04439	1.1
99.08064	2.3
105.01833	3.1
105.07020	3.8
107.08584	12.7
109.02860	8.6
109.06498	6.1
109.10136	60.9
110.10436	0.7
111.08095	1.2
113.09605	1.6
119.08562	21.6
119.36678	0.6
121.10126	7.7
123.08049	8.1
123.11688	5.0
127.03899	7.5
127.11213	0.7
133.10117	12.4
135.11667	56.5
136.12022	0.9
137.09595	10.7
139.11142	1.1
140.45049	0.6
145.04958	0.6
147.11655	1.1
149.13210	3.4
151.11140	6.1
151.14795	6.8
153.12694	1.8
154.66873	0.7
165.16367	1.5
175.14804	23.8
176.15048	0.6
193.15845	37.0
194.16138	1.2
211.16893	100.0
212.17207	2.8
213.03880	1.5
231.04961	0.9
331.77203	0.5
423.20111	1.6
441.21365	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.3581
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.9
55.01871	3.5
55.05500	13.7
57.03421	6.6
57.07085	4.9
59.04991	3.3
60.04507	2.9
66.23075	2.1
67.05499	22.5
69.03419	15.2
69.06712	3.3
69.07060	44.2
70.06584	13.7
70.95902	5.3
70.96260	2.9
71.04999	11.0
72.08146	5.8
79.05492	26.3
81.03400	10.9
81.07048	68.8
82.07382	2.6
83.04971	9.5
83.08600	6.6
84.04476	5.4
84.08134	6.2
85.02893	14.3
85.06521	5.6
86.09697	11.1
91.05450	12.6
93.07033	73.0
95.04945	12.2
95.08595	64.0
97.02876	10.0
97.06532	11.0
97.10168	3.8
99.04430	5.5
99.08069	5.4
103.05424	3.0
105.07008	17.3
107.04935	6.6
107.08582	42.1
108.08897	5.6
109.02878	11.0
109.06493	10.7
109.10153	29.5
109.87761	2.3
110.10453	4.4
111.08044	7.1
111.11708	3.8
117.07030	2.3
119.08559	17.1
120.08075	4.1
121.06480	3.5
121.10130	80.8
122.09607	2.3
122.10465	6.3
123.08039	8.0
123.11699	29.5
125.05994	2.9
125.09630	9.4
127.03884	8.2
131.04926	5.3
131.08542	11.5
133.10117	41.9
134.10440	17.3
135.08067	9.0
135.11696	19.1
137.05945	4.0
137.09605	29.8
137.13251	7.0
138.09018	2.5
138.09982	12.1
139.11180	18.7
143.08516	3.2
145.04918	4.4
145.10101	7.2
147.08041	3.7
147.11702	12.3
149.09630	8.1
149.13226	11.1
150.13585	5.0
151.11186	15.4
152.11513	5.4
153.12730	5.0
157.10127	4.9
159.11688	5.8
161.13208	3.4
163.07556	2.6
163.11162	7.7
163.14865	4.5
164.15103	3.0
165.12733	6.8
167.05516	3.4
167.10658	23.7
173.13196	4.9
174.13600	4.0
175.07646	3.6
175.14854	3.9
181.12221	9.5
189.16391	2.5
191.14272	23.6
192.14647	23.7
207.17664	3.9
209.15355	15.8
210.15678	16.1
213.03912	3.1
213.16257	2.6
219.06572	5.2
222.63606	2.7
231.06554	3.9
269.22577	7.7
273.11313	3.8
287.23648	17.2
291.12234	4.9
293.24722	7.0
301.05823	4.6
305.24725	51.8
320.56961	2.8
322.24808	3.0
323.25787	100.0
324.25931	3.7
477.16733	7.2
506.19202	2.7
538.32446	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	538.3577
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05513	1.7
53.03927	5.6
55.01854	3.5
55.05497	17.8
57.03427	7.7
57.07069	9.9
59.04993	3.5
60.47695	1.6
62.06068	2.7
63.70772	1.8
67.05153	2.6
67.05490	28.0
68.05011	1.4
68.05827	2.0
69.03416	17.3
69.07053	63.9
70.06577	13.4
70.38355	7.0
70.85179	1.4
71.04968	8.5
71.08614	4.3
72.08126	5.9
78.63074	1.5
79.05475	32.3
79.52091	1.7
81.03388	7.4
81.07037	90.6
82.07372	4.0
83.04965	6.4
83.08610	11.1
84.04475	1.9
84.08128	9.2
84.08916	1.8
85.02894	16.8
85.06525	5.9
86.09695	11.8
87.00822	4.3
87.04462	2.2
90.44119	1.4
91.05447	18.9
92.05774	2.5
93.07023	87.7
94.07327	3.0
95.04944	15.1
95.08585	76.1
96.08922	4.3
97.02871	7.6
97.06496	12.0
97.10155	6.5
99.04431	5.3
99.08074	6.1
105.01850	3.3
105.07011	28.8
107.04932	5.4
107.08568	39.8
108.08932	2.7
109.02877	9.2
109.06505	12.8
109.10133	44.1
110.07101	4.8
110.10450	2.5
111.08080	8.6
111.11692	7.0
117.06989	3.4
119.08555	19.0
120.08108	2.2
121.06509	4.4
121.10118	67.6
122.10450	5.8
123.08057	12.6
123.11668	34.4
125.05959	1.8
125.09579	11.5
127.03873	7.9
128.04253	1.6
129.07004	1.7
131.08585	8.5
133.10106	18.3
134.10426	1.9
135.08034	6.6
135.11670	24.5
136.11990	2.8
137.05957	2.1
137.09560	10.3
137.13219	15.2
138.09969	3.3
139.11154	22.0
143.08522	1.8
145.04860	3.8
145.10130	11.4
147.11661	12.4
149.05806	1.9
149.09573	11.9
149.13223	10.7
150.13541	2.5
151.11130	22.4
152.11510	8.4
153.12764	7.9
155.10632	2.1
157.10056	3.8
159.11647	7.9
161.09563	3.8
161.13252	4.9
163.11136	5.0
163.14787	4.1
165.12724	10.7
165.16354	2.0
165.49208	1.5
166.13109	3.8
167.05510	2.5
167.10645	44.0
167.14340	1.9
169.12141	2.4
171.11703	2.0
173.13234	5.3
175.11128	3.1
175.14784	6.8
177.16339	2.0
179.10674	3.1
179.14197	1.7
181.12189	3.5
185.11751	2.0
185.13213	2.2
187.14713	2.9
189.16309	3.4
191.14255	4.8
191.17897	2.7
192.14658	2.0
193.15808	7.7
195.13750	2.9
197.11720	7.4
199.14693	2.8
201.16417	2.8
203.17976	2.5
209.15318	19.4
210.15672	17.3
211.16846	4.8
213.16397	4.3
217.19543	3.3
229.19597	2.3
231.04918	1.9
231.17461	1.8
235.20552	4.4
241.19699	1.8
243.21193	2.8
259.24094	3.5
261.22345	3.1
267.86649	1.7
269.22650	10.1
271.22629	2.4
272.22961	5.6
275.23611	2.4
277.25201	2.5
287.23627	25.3
293.24667	6.0
301.05609	1.8
305.24673	84.8
306.24854	3.2
311.25644	1.8
323.25735	100.0
324.25992	2.7
341.26862	2.1
538.26398	4.6
538.75714	2.4
539.24524	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	538.3584
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	9.2
55.01851	5.3
55.05507	21.8
57.03421	9.7
57.07055	12.8
58.69988	4.7
62.05581	4.0
67.05492	37.7
69.03410	18.2
69.07062	64.2
70.06575	20.4
70.63969	8.0
70.64365	10.0
71.04997	10.0
72.08136	6.7
74.09698	5.2
79.05487	35.9
81.03411	10.0
81.07050	91.9
83.04939	9.2
83.08607	16.3
84.04477	8.4
84.08131	22.5
85.02914	21.1
86.09681	17.1
87.04443	4.7
91.05460	19.8
93.07034	87.2
95.04950	21.4
95.08597	93.6
97.02859	8.5
97.06529	12.6
97.10136	11.0
99.04479	8.0
99.08083	5.3
100.87675	4.2
105.07021	27.5
107.04926	13.4
107.08591	49.4
109.02884	6.4
109.06483	13.3
109.10156	47.5
111.04442	4.7
111.08057	11.4
111.11693	8.2
114.38250	4.0
117.07022	4.3
119.08578	28.3
120.08087	16.2
121.10135	93.1
123.08059	10.7
123.11695	34.7
125.09629	10.1
127.03883	11.7
128.06119	5.5
131.04845	5.4
131.08562	12.2
133.10123	22.7
135.11635	25.1
137.09601	8.9
137.13248	12.0
139.11183	17.8
140.60722	3.9
145.10120	13.1
147.11687	12.6
149.09622	8.9
149.13222	15.4
151.11171	10.9
151.14801	4.5
157.10101	6.5
159.11710	9.8
161.13242	4.8
163.03929	5.5
163.11211	7.7
163.14810	8.8
165.12714	4.1
166.08633	4.6
167.05579	4.7
167.06950	6.2
167.10651	34.5
173.13211	6.6
175.14783	6.6
181.12198	5.0
211.16862	7.7
217.04964	4.6
269.22601	12.6
275.23563	4.8
287.23560	28.8
293.24719	13.7
300.06323	5.2
304.23682	5.4
305.24716	86.9
323.25827	100.0
367.07971	9.8
377.22763	9.4
437.14661	4.5
494.22934	13.1
507.08521	7.6
537.72632	4.0
538.24023	9.1
539.11884	25.1
539.27771	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	538.2279
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.6
55.05490	0.5
56.05018	0.3
57.03443	0.4
61.02914	0.4
65.03918	0.3
69.03407	1.1
69.07042	0.6
70.06586	2.8
71.63096	0.5
72.08136	0.9
74.06065	0.3
79.05475	1.1
81.03384	0.8
81.07052	0.8
82.09747	0.3
84.04473	0.9
84.08131	1.3
85.02896	3.2
86.09687	2.6
91.05453	3.8
91.74654	0.3
93.07006	1.6
94.04179	1.5
95.04931	0.7
97.02878	1.2
102.05506	0.3
103.05443	2.0
105.07011	4.6
107.04934	0.9
109.02869	0.6
109.06490	1.1
115.05457	1.6
117.06995	1.6
119.04920	0.8
119.08546	1.5
120.08079	0.8
121.06497	2.1
122.03639	3.8
123.04402	0.3
127.03891	1.0
128.06224	0.5
129.06967	1.5
129.10226	1.0
131.04901	1.3
131.08578	0.5
132.05664	1.3
133.06468	4.6
136.07515	0.4
137.05951	100.0
138.06285	1.0
143.04939	0.6
143.06059	0.4
144.05714	0.6
145.04915	0.7
145.06470	3.1
146.03549	0.4
147.04378	1.5
147.07980	1.7
149.05946	5.4
149.07080	0.4
151.03870	0.5
151.07579	0.7
155.04877	0.6
157.06355	0.3
159.08054	1.6
160.05164	1.2
161.05952	17.6
162.06734	2.2
163.07526	1.4
171.07980	0.4
172.05196	0.5
173.05946	1.2
173.51425	0.3
175.07518	25.7
176.07927	0.3
177.09090	0.8
179.06992	1.3
179.08458	0.4
183.11179	0.4
185.05908	0.5
187.07526	6.9
189.09006	0.4
190.07683	1.4
191.08502	4.5
193.06711	0.6
193.08580	5.9
199.07513	3.2
202.07788	0.5
203.08511	2.5
205.08525	3.3
207.08087	0.6
208.08839	0.6
217.08574	1.1
218.07225	0.8
219.08028	6.4
220.08751	1.0
231.07994	2.4
235.07516	0.6
236.08278	1.4
237.08978	0.5
247.07465	3.4
248.08252	1.6
251.10640	10.5
251.13260	0.6
253.08551	0.6
259.07535	1.8
260.08426	0.7
261.09213	0.7
263.10599	1.6
264.07782	1.1
264.10486	0.3
265.08511	0.8
267.10065	0.9
267.15277	0.5
269.11703	0.4
273.09134	0.3
276.07840	0.7
277.08533	0.8
279.10123	8.9
280.10834	0.7
281.08081	0.4
291.10080	4.3
292.10870	0.7
293.08154	0.3
296.10345	0.9
296.17075	0.3
297.11267	0.4
305.05527	0.3
308.10315	0.5
309.11230	0.9
311.12726	29.9
312.13055	0.7
315.13266	0.4
323.12704	12.1
324.12897	0.3
329.13782	5.4
333.14413	0.9
341.13766	11.4
359.14584	1.4
441.36557	0.4
457.30066	0.8
475.31146	2.4
503.18863	0.6
538.31567	2.5
539.18335	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2894
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56917	1.6
53.03925	5.6
55.01856	4.4
55.05256	2.5
55.05502	35.0
57.03432	12.1
57.07065	10.0
61.02902	7.1
66.59921	1.7
67.05157	2.9
67.05492	36.0
68.15891	1.6
69.03425	22.4
69.07054	64.5
69.73344	6.1
69.73777	7.7
70.06572	7.7
70.07372	2.1
71.04977	9.2
71.08594	3.7
71.63200	1.7
72.08149	2.1
73.02878	3.1
74.09026	1.8
79.05473	19.3
79.16576	1.7
80.05814	1.8
81.03401	19.2
81.07042	61.1
82.07361	3.4
83.04944	5.8
83.08606	41.3
84.08118	6.7
85.02887	41.8
85.06534	5.7
86.09684	5.0
87.00813	18.9
87.04424	1.8
91.03909	2.2
91.05439	16.3
93.07024	25.7
94.07344	2.5
95.04932	5.0
95.07965	2.7
95.08585	50.0
96.08885	2.6
97.02880	16.8
97.06499	10.8
97.10149	41.6
99.04430	7.5
99.08084	4.4
100.84956	1.8
101.06000	2.1
103.05410	2.1
105.01846	15.0
105.07008	16.9
107.04948	4.0
107.08559	20.6
108.08887	2.9
109.02855	19.2
109.06492	4.2
109.10136	29.5
111.04414	1.9
111.08063	5.1
111.11703	20.9
115.07471	2.0
117.07000	4.1
119.04909	5.2
119.08555	17.5
120.08897	2.4
121.06476	8.1
121.10115	31.1
122.06785	4.6
122.10439	3.0
123.08024	3.6
123.11679	12.4
125.09602	8.4
125.13257	8.9
127.03899	47.5
128.32195	1.8
129.06973	2.2
129.09100	2.1
131.04872	2.0
131.08557	2.1
132.08862	2.0
133.10095	22.2
135.08014	4.1
135.11662	20.1
137.05977	5.3
137.09592	8.2
137.13231	6.8
139.11168	9.4
143.07088	2.1
143.10655	3.1
145.04945	5.2
145.10081	4.7
146.10454	2.4
147.04385	6.1
147.11661	15.7
148.04729	4.1
149.09579	5.4
149.13232	6.2
150.09926	2.4
151.11154	8.1
151.14801	6.2
153.09082	2.0
153.12740	7.3
155.10638	3.3
157.12189	5.1
159.11696	3.2
161.13248	14.0
163.07530	2.3
165.12770	9.1
167.05589	2.9
169.09918	2.1
169.12190	2.1
171.13768	3.2
175.14780	6.4
179.06966	4.5
179.14262	7.1
180.07457	2.2
183.13750	2.3
189.16353	3.5
193.15726	2.3
193.19501	5.6
197.15405	5.2
213.03970	5.1
217.19470	42.0
222.54144	2.1
223.09650	2.9
227.12630	3.3
228.13091	3.2
230.16077	3.2
231.04904	11.2
235.20528	66.4
241.14270	5.3
242.14702	2.9
248.17088	3.3
253.21584	100.0
271.22632	63.6
289.23727	3.1
299.05872	3.2
300.06256	2.4
304.10678	1.9
321.20593	5.8
322.20938	13.9
322.24280	2.6
339.21497	3.3
340.21863	11.0
358.17184	6.7
367.58646	2.1
395.41248	1.9
434.26242	2.9
465.24780	3.2
524.49371	1.9
533.36487	2.0
537.22900	4.6
537.30200	2.7
537.75104	2.1
538.08008	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	537.0607
Annotation	Unknow
Peak:m/z	Relative Intensity
65.26524	0.5
71.26623	1.0
94.93011	5.1
112.89603	3.0
120.87080	0.5
139.91457	0.9
144.01669	0.7
185.04187	1.2
193.98230	0.8
194.94542	100.0
194.96603	25.1
195.00247	1.4
203.05283	2.1
203.54187	0.5
212.96655	0.7
230.97714	0.8
254.97632	6.9
256.02039	0.6
266.97400	2.2
284.56897	0.7
314.99554	1.1
357.00558	0.7
365.10541	8.3
381.07861	12.1
383.07565	1.2
424.37302	0.6
510.44571	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1633
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02395	0.4
53.03938	1.4
55.01868	0.5
55.05502	3.1
57.07063	0.5
61.02902	0.4
67.05492	3.8
69.03421	6.4
69.07055	3.2
70.06590	1.1
70.80562	0.8
70.80905	0.4
71.04980	0.8
79.05487	5.5
81.03409	2.8
81.07050	9.9
83.04967	2.6
83.08608	1.2
84.04491	0.5
84.08139	0.8
85.02885	2.6
85.06532	0.7
86.09708	0.8
87.00826	1.5
91.05453	5.9
91.44274	0.3
93.07037	4.2
95.04964	1.4
95.08603	4.9
97.02898	2.4
97.06522	0.8
97.10165	0.5
99.04461	0.8
103.05441	0.5
105.01846	1.5
105.06505	0.2
105.07018	7.8
107.04935	3.9
107.08583	20.0
109.02863	3.8
109.06515	3.4
109.09453	0.5
109.10155	8.1
111.08105	0.5
115.05456	1.4
117.06982	2.1
119.08578	4.5
121.06483	2.2
121.10126	11.4
121.11008	0.6
122.07263	5.2
123.08051	1.3
123.11678	1.1
125.09624	0.5
127.03904	4.5
129.06972	0.5
131.08546	3.1
133.10115	100.0
134.10440	1.4
135.08031	7.9
135.11658	2.5
137.09599	58.9
138.09930	0.9
139.11183	0.7
143.08540	0.9
144.09238	0.4
145.04953	0.5
145.10092	1.3
147.11656	2.4
149.09583	1.2
149.13240	11.8
151.11172	1.1
158.10861	1.4
159.02838	0.4
159.11664	0.5
161.09511	0.5
163.14743	2.5
171.11752	0.4
173.13240	6.6
180.44489	0.5
187.11220	0.5
189.12891	0.4
191.14284	67.3
192.14655	0.9
201.16336	0.5
209.15329	3.9
213.03897	1.4
231.04884	1.7
283.19128	0.4
289.25211	0.6
299.06238	0.4
300.06119	0.6
303.23169	0.5
321.24005	0.5
403.17438	1.1
421.18298	1.3
439.19415	1.0
449.66501	0.4
501.28500	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.3337
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16360	0.2
55.59086	0.1
56.05030	0.2
58.06367	0.1
58.06621	0.5
60.08155	5.4
67.05493	0.6
69.07047	0.2
69.42290	0.7
69.42721	0.7
70.06593	0.3
71.07362	2.2
73.04739	0.2
79.05491	0.2
81.07047	0.5
84.08146	0.2
85.72786	0.1
86.09693	27.0
91.05789	0.5
93.07008	0.3
95.08563	0.3
98.98444	2.0
104.10718	3.0
109.10162	0.2
112.08696	0.1
117.07027	0.1
124.99988	18.1
131.70964	0.1
143.01021	0.3
167.05566	0.5
179.79202	0.1
184.07312	100.0
185.07616	0.3
258.11047	0.3
283.02948	0.2
299.06073	1.0
344.97446	0.2
415.03439	0.3
454.46954	0.2
500.31467	1.0
518.32355	8.9
526.99878	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.3344
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	1.4
56.05030	0.7
57.02724	0.5
57.66891	0.5
58.06598	1.1
60.07872	0.8
60.08153	11.2
67.05488	1.3
69.07053	0.7
70.06573	0.8
71.07358	3.4
71.62552	0.7
73.04732	0.8
79.05492	1.2
81.07034	1.7
86.09695	41.3
87.10027	0.9
91.05791	1.2
93.07027	1.7
95.08579	1.4
98.98438	2.3
104.10729	54.2
107.08575	0.7
110.07123	0.5
117.67104	0.5
121.06489	1.5
124.99989	25.1
149.13109	0.6
167.05518	1.5
172.19820	0.5
184.07315	100.0
185.07704	1.3
186.07773	0.8
299.06161	3.6
481.22760	0.5
500.31161	5.1
518.32397	36.1
536.32050	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.4093
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	0.6
57.07063	0.3
67.05473	0.5
71.64104	0.3
73.04726	0.4
73.13132	0.3
81.07024	0.3
84.04490	0.4
91.05444	4.3
93.07022	0.9
95.04958	10.9
95.08575	0.6
103.05428	1.5
107.07291	0.4
109.06499	0.7
118.06531	9.1
119.04927	17.1
120.08041	0.3
121.06489	0.9
123.04416	26.7
132.08070	4.7
133.08846	1.4
137.05966	0.5
144.08038	0.4
146.09628	9.6
147.04395	9.9
147.79887	0.3
160.11189	2.1
164.42299	0.3
165.05447	4.8
167.05518	0.5
174.12790	0.5
176.06935	0.3
188.14296	0.9
202.15904	0.5
204.10092	0.3
216.17438	0.5
218.18962	0.8
220.20689	0.3
230.19031	0.9
244.20540	0.9
246.22098	1.0
258.22128	0.6
272.23700	0.6
274.25183	0.6
299.06116	1.6
363.37738	0.4
372.36209	81.4
373.36603	1.1
412.35687	0.4
430.36630	0.4
443.73004	0.3
492.40613	1.1
536.40930	100.0
537.41241	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.3338
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99254	0.2
55.05490	0.3
56.05014	0.5
58.06601	0.4
60.08155	6.7
67.05502	0.5
69.07040	0.3
71.07358	3.0
71.63086	0.4
71.63428	0.3
79.05466	0.6
81.07027	1.0
84.08102	0.6
86.09694	29.5
91.05804	0.4
95.08597	0.5
98.98457	2.5
101.78768	0.3
103.05464	1.5
104.05795	0.6
104.10728	9.9
105.07040	0.4
106.38811	0.3
107.04794	0.3
119.47923	0.3
124.99986	19.8
131.04904	2.9
132.05212	0.9
141.46201	0.3
143.01025	0.4
145.02829	0.7
147.04385	0.5
163.07481	0.8
164.07893	0.5
167.05510	0.8
177.05479	1.1
178.05792	0.9
184.07315	100.0
283.02875	0.3
299.06204	1.3
305.00552	0.3
378.33572	0.5
518.32416	2.1
518.39667	0.2
536.33411	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	536.306
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	4.4
55.01870	10.3
55.05499	18.3
57.03431	36.0
57.07048	2.0
61.02906	8.3
65.57572	1.8
67.05495	40.5
69.03413	8.2
69.07059	39.3
70.06560	5.3
70.74333	4.1
71.01332	1.8
71.04979	5.3
73.02921	3.3
73.06527	2.4
79.05000	2.1
79.05481	60.3
81.03406	31.0
81.07047	66.9
83.04971	10.0
83.08615	17.0
83.93852	1.9
84.08136	4.8
85.02887	14.4
85.06551	2.4
86.09693	4.5
90.02413	1.9
91.03960	2.9
91.05433	37.3
93.07030	54.5
95.04951	10.6
95.08585	33.9
97.02882	9.8
97.06522	16.5
97.10148	4.5
99.04442	4.2
99.08081	3.0
103.03935	10.4
105.07024	23.5
107.04944	10.5
107.08578	33.2
109.02860	2.9
109.06507	15.6
109.10153	15.1
110.07154	2.5
111.08017	3.3
114.07333	2.1
115.05467	2.4
117.06999	19.7
119.04935	3.6
119.08567	25.1
120.08133	2.5
121.06503	6.5
121.10120	37.5
123.08038	7.9
123.11698	4.4
124.11324	1.9
125.05995	3.1
125.09621	9.0
127.03896	7.2
127.07484	2.2
128.06252	2.2
129.05464	4.1
129.07048	4.0
131.08542	31.0
133.10107	20.2
135.08009	19.6
135.11642	10.8
137.09586	15.6
139.11182	5.5
141.06981	4.6
143.07025	10.2
143.08537	4.4
145.10109	23.4
147.04373	4.7
147.08047	5.2
147.11667	5.9
149.02354	3.1
149.09604	39.9
149.13237	3.6
151.11162	8.3
153.09052	6.9
155.08482	3.9
157.10046	2.1
159.08000	2.3
159.11670	7.0
161.08131	2.7
161.09552	3.1
161.13229	4.6
163.11136	7.9
165.09114	7.0
167.05566	5.7
167.10677	10.0
169.10081	11.0
171.10124	3.2
173.13275	3.2
177.09073	4.5
179.10588	3.6
183.11612	4.2
185.11705	5.3
185.13194	4.3
187.11232	2.7
187.14758	11.0
193.05003	2.8
193.12355	1.9
195.76445	2.0
201.11163	9.2
201.16354	8.9
211.14807	10.9
217.10759	5.0
217.19536	4.5
219.17418	5.8
223.13367	3.3
227.12735	42.7
229.15868	19.4
235.20633	6.1
239.12743	22.8
241.14284	51.4
241.16678	3.2
247.16884	19.2
253.21501	6.3
265.17914	4.1
269.17514	7.3
271.22717	3.3
299.06183	13.9
303.19577	2.5
303.23114	3.0
321.20572	100.0
331.13544	1.9
339.21603	66.8
415.24603	2.3
433.25806	24.9
465.93756	2.1
483.25781	3.6
521.76880	2.0
537.22864	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	536.305
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.4
55.01865	5.0
55.05505	16.9
57.03436	16.4
57.07062	3.0
58.99578	19.3
61.02911	4.7
65.03928	2.6
67.05495	36.6
67.48259	1.6
69.03426	5.2
69.07056	26.3
70.06574	7.8
71.04978	7.6
71.63460	3.7
72.08137	3.0
73.01154	2.0
73.02893	4.4
73.92490	1.7
75.41760	1.7
76.02216	17.0
76.03989	3.5
79.05476	27.3
81.03392	7.9
81.07043	49.6
83.06111	3.8
83.08601	10.7
84.04492	6.8
84.08121	5.2
85.02883	11.9
85.06526	7.9
86.09698	5.0
86.99042	14.2
87.02670	2.3
88.02209	5.2
91.03933	2.3
91.05438	31.5
93.07030	29.3
95.04954	7.5
95.08589	52.7
97.02885	6.4
97.06518	5.3
97.10139	9.5
99.04443	3.8
99.05560	1.9
99.08088	2.9
103.03970	2.5
105.07016	29.3
107.04932	5.1
107.08551	15.1
109.02874	2.2
109.06505	7.6
109.10143	24.1
111.02707	2.4
111.08058	2.7
111.11719	4.2
116.01660	60.4
116.02479	3.0
117.06992	23.8
119.08559	26.2
120.08109	5.9
120.66852	1.9
121.06487	3.8
121.10110	9.5
123.08095	2.5
123.11715	9.1
127.03896	5.8
127.07481	2.0
128.06238	4.4
129.05475	5.0
129.07004	16.1
129.10233	2.1
131.08546	32.8
133.06477	2.0
133.10103	22.1
135.08011	13.7
135.11676	5.7
137.05920	3.4
137.09657	3.2
137.13242	6.7
141.06963	11.4
142.03209	8.9
142.07768	3.2
143.08551	8.3
144.01128	29.9
145.04967	2.1
145.06084	2.5
145.10106	41.5
147.08038	3.8
147.11649	15.1
149.09607	9.2
151.11166	3.5
155.08548	5.6
157.10081	23.0
159.08020	4.3
159.11656	11.0
161.09700	2.6
162.02176	100.0
163.11128	4.5
167.05524	6.2
169.10132	18.0
171.11671	8.0
173.09697	4.2
173.13260	11.4
175.11145	17.1
177.12723	3.7
182.10980	2.0
183.11679	9.2
185.13214	10.1
187.11189	6.9
187.14745	20.5
189.12601	2.9
191.10690	2.2
191.14255	3.5
193.12146	2.1
201.12781	2.2
201.16443	13.5
201.18149	2.6
211.14787	31.5
211.20517	4.3
229.15843	66.1
229.21664	8.2
247.16914	25.4
265.62350	1.9
269.19263	5.5
281.17630	2.2
283.03049	2.6
287.20319	15.1
299.06039	13.0
303.19559	3.3
321.20566	88.3
321.23929	3.8
344.97458	2.7
372.21957	10.2
389.24527	2.2
390.23056	25.5
407.25677	41.9
415.03629	3.5
447.23660	2.1
452.93622	1.9
461.26727	19.1
465.24878	3.1
483.25809	3.8
518.29248	3.7
536.29956	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	536.3062
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	4.6
55.01863	11.2
55.05511	13.7
57.03431	19.2
57.07065	3.0
61.02911	7.5
67.05495	37.1
69.03413	14.2
69.06711	4.0
69.07059	50.9
70.06596	20.4
70.06921	4.5
70.34002	10.7
70.34365	5.6
71.04952	5.6
71.43910	2.6
72.08141	3.1
73.02908	4.6
79.05486	39.7
81.03393	14.7
81.07045	48.8
83.04951	6.9
83.08598	11.0
83.09049	2.5
84.04489	4.0
84.08137	8.6
85.02896	15.5
85.06503	4.8
86.09698	7.0
87.04454	7.6
91.03915	4.0
91.05421	52.0
93.07027	48.0
95.04948	20.6
95.08593	35.6
97.02880	11.0
97.06508	29.5
103.03919	5.2
105.07001	35.2
107.04918	10.5
107.08577	40.1
109.02875	3.7
109.06502	12.5
109.10142	38.9
111.04482	3.3
111.08058	3.5
117.06987	16.7
119.08585	26.2
120.08092	5.4
121.06474	4.6
121.10107	22.9
123.08038	4.5
123.11687	9.2
125.09642	4.6
127.03906	5.8
129.07001	15.1
129.10167	3.5
131.08534	30.7
133.04950	7.0
133.06450	3.1
133.10117	26.8
135.08049	13.5
135.11674	12.1
137.09576	11.6
139.11162	6.7
141.06934	9.0
143.06993	11.4
143.08524	9.5
143.35249	2.6
145.04994	2.9
145.10103	35.7
147.07976	6.1
147.11655	18.1
149.09583	25.1
149.13228	3.3
151.11136	8.6
153.12718	7.1
155.10637	4.4
157.10139	14.5
159.08008	3.7
159.11642	9.1
161.08112	4.1
161.09547	6.5
161.13223	6.1
163.11145	10.6
165.09062	18.2
167.05508	10.8
167.10687	5.2
169.10115	9.2
171.10268	4.8
171.11679	16.5
173.09644	4.1
173.13165	14.6
175.11203	10.0
177.09061	3.8
181.12123	2.9
183.10266	4.1
185.13109	4.0
187.11092	3.1
187.14810	10.8
189.12740	12.4
191.14363	4.2
199.09653	3.2
201.11169	4.8
201.16371	14.7
203.17860	3.6
211.14775	13.3
217.10623	4.7
225.14787	3.9
229.15822	28.7
239.09488	4.7
247.16890	28.3
263.16449	6.1
265.18036	3.1
266.99881	3.0
281.17471	36.9
285.22031	6.0
293.21558	3.1
299.06021	21.2
303.23178	24.2
321.20529	100.0
321.24194	34.3
339.21707	16.8
339.25211	4.6
344.97681	3.3
536.18231	3.8
536.31738	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	536.3007
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03405	1.3
53.03918	1.6
54.67637	1.3
55.01866	4.0
55.05504	19.3
56.05027	2.1
57.03419	9.0
57.07062	3.5
58.99570	21.4
61.01130	3.2
61.02902	3.4
65.03956	2.1
67.05494	37.5
69.03409	4.3
69.07057	27.6
70.06583	7.9
71.04990	6.8
71.63102	1.8
71.63479	1.5
72.08141	1.7
73.01111	3.4
76.02225	10.2
76.03963	3.0
79.05479	17.8
81.03411	6.3
81.07044	54.3
83.04971	3.0
83.06083	3.3
83.08599	11.4
84.04488	8.2
84.08133	4.0
85.02905	7.2
85.06535	4.6
86.09696	4.2
86.99033	13.2
87.02686	1.8
88.02204	3.5
91.03963	2.0
91.05422	27.1
93.07023	21.2
95.04955	5.0
95.08593	49.9
97.02868	3.9
97.06501	3.6
97.10161	11.8
99.04433	1.7
99.08085	2.0
101.00349	1.4
103.03922	2.5
105.07008	21.9
107.04935	2.5
107.08570	14.3
109.02812	1.6
109.06505	5.5
109.10136	23.2
111.11714	4.8
116.01656	66.1
117.06994	13.6
119.08572	16.6
120.08105	4.8
121.06470	2.5
121.10120	7.3
123.08075	1.7
123.11700	11.3
125.09637	1.6
127.03914	4.2
128.06187	1.4
129.05524	2.5
129.07043	11.4
130.05014	3.2
131.08549	21.1
133.06421	3.0
133.10089	13.0
135.08052	8.6
135.11700	4.1
137.05966	4.3
137.09627	4.1
137.13211	3.9
141.06938	5.8
142.03172	6.1
142.07765	2.0
143.08501	4.8
144.01117	32.8
145.04951	2.3
145.06134	2.9
145.10097	25.4
147.08052	2.0
147.11665	11.1
149.09560	7.1
149.13239	2.4
151.11200	2.5
155.08498	5.5
156.92342	1.5
157.10095	14.0
159.08005	2.4
159.11639	9.2
161.09608	2.9
161.13332	2.2
162.02173	100.0
163.03937	1.7
163.11194	4.5
167.05569	7.1
167.39656	1.5
169.10089	9.6
171.11673	3.3
173.09663	2.1
173.13243	6.6
175.11147	10.1
177.12703	1.5
179.04846	2.4
181.06187	1.9
182.10904	2.2
183.11685	5.9
185.13206	7.0
187.11130	4.9
187.14799	13.0
189.12700	1.5
191.14253	1.9
200.18364	1.6
201.12592	2.6
201.16388	8.1
211.14754	16.8
211.20494	3.4
213.03969	2.3
229.15836	35.0
229.21645	8.3
229.66467	1.7
245.05968	1.7
247.16872	14.2
251.61418	1.8
269.19287	6.2
281.17334	3.0
287.20413	12.5
299.06094	11.9
300.06323	1.9
303.19556	2.0
303.23032	2.5
321.20560	55.1
321.23898	2.2
339.21582	2.3
372.21936	7.5
390.22971	27.4
407.25665	47.4
408.26151	2.2
415.03256	2.1
461.26736	23.9
465.24353	2.2
518.28638	3.1
519.29175	1.9
536.30042	23.8
537.13513	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	536.2852
Annotation	Arg Val Phe Asp
Peak:m/z	Relative Intensity
53.03935	0.8
55.01869	0.7
55.05495	0.9
56.05030	1.2
57.03418	0.6
57.07068	21.2
58.24792	0.2
61.02930	0.2
61.59029	0.2
62.13980	0.2
65.03944	0.2
65.71497	0.2
66.14040	0.2
67.05482	0.4
69.03421	3.9
69.07041	0.4
70.06583	5.9
71.04985	5.3
71.62521	0.3
71.97285	0.2
72.08140	1.0
73.02895	0.4
74.06080	0.6
75.12647	0.2
79.05461	0.5
80.04999	0.5
81.03409	5.9
81.07051	0.4
82.06570	13.7
84.04485	0.5
84.08133	21.3
85.02895	5.8
85.06537	3.5
86.09693	8.7
86.10228	0.3
87.00803	0.4
87.04454	0.4
87.05624	0.4
87.10018	0.4
87.52702	0.2
91.05394	0.5
91.05851	0.6
93.07053	0.9
95.04919	0.4
95.08583	0.4
96.08130	0.5
97.02871	3.4
97.06498	1.1
98.06055	0.3
98.09677	1.6
99.04453	1.4
99.08022	0.2
100.07607	9.0
103.05466	0.6
103.07561	1.1
105.07018	0.4
107.04941	28.0
109.02859	3.9
109.06498	0.6
109.10151	0.3
110.07159	0.5
111.08052	1.7
119.04910	0.3
119.08538	0.4
120.08089	6.7
121.06490	0.9
121.10135	0.4
122.09663	1.0
123.04399	0.2
123.08057	1.0
124.11214	1.0
126.05515	0.3
126.09132	3.9
127.03905	3.7
129.10225	0.5
131.04933	0.3
133.05093	0.3
133.06033	0.5
135.08069	0.3
136.07553	0.3
137.05981	0.7
137.09610	0.3
140.10704	1.1
145.04959	1.3
145.06342	0.2
147.04411	0.4
149.05949	1.1
154.06203	0.5
163.07549	0.6
166.08665	0.3
167.05550	0.7
173.12814	0.2
183.11374	0.2
187.07794	0.2
188.04724	0.3
195.10031	1.1
199.11101	1.2
201.12387	0.3
203.07088	0.6
203.10699	0.7
217.12241	2.8
221.77327	0.2
228.13853	1.6
229.10564	3.2
231.06584	0.4
239.13852	1.5
246.14871	16.1
257.15021	1.2
263.10159	0.2
272.16376	1.6
280.12939	0.9
283.03192	0.3
287.05447	2.7
288.05804	3.9
288.16058	0.3
290.17462	4.9
299.06232	1.5
325.04196	0.2
388.16980	0.2
393.20895	0.3
415.03403	0.3
492.25909	3.2
503.10577	0.3
518.27484	3.8
536.21948	4.2
536.28491	100.0
537.28961	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.2271
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	1.2
55.01847	1.5
55.05509	0.5
57.35682	0.4
66.18634	0.4
69.03416	0.6
70.06567	0.5
71.52685	0.5
71.62405	0.8
81.10015	0.4
83.52095	0.4
86.09708	0.9
91.05404	4.2
93.07034	7.8
95.04941	2.1
97.06497	0.6
101.77600	0.5
103.05465	6.7
104.10725	1.2
106.31109	0.5
121.06491	100.0
124.99998	0.6
151.03923	0.5
167.05499	1.2
184.07353	2.1
196.03641	0.5
234.06599	0.6
263.06952	0.7
283.03226	0.7
299.06119	4.0
301.08350	0.5
305.11691	1.9
316.00668	0.5
337.14120	1.3
344.14658	0.5
344.97757	1.0
381.13388	2.3
415.03043	0.6
458.05737	0.5
511.50391	0.5
518.31909	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.2852
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.6
55.01859	0.3
55.05483	0.7
55.50803	0.3
56.05029	1.5
57.03415	0.7
57.07064	20.3
60.04512	0.3
61.02899	0.4
67.04227	0.3
67.05481	0.6
69.03107	0.4
69.03417	3.4
69.79694	1.5
69.80103	0.7
70.06576	6.8
71.04971	4.8
72.08135	1.0
73.02906	0.4
74.06062	0.9
79.05486	0.6
80.04982	0.7
81.03397	5.5
81.07056	1.1
82.06564	13.0
84.04513	0.5
84.08127	20.3
85.02887	5.8
85.06541	2.9
86.09686	18.1
87.10007	0.5
91.05429	0.6
93.07018	1.0
94.39748	0.3
95.04951	0.4
95.08603	0.3
97.02869	3.8
97.06496	1.2
98.06055	0.6
98.09641	1.6
99.04436	1.5
100.07597	9.1
103.05450	0.7
103.07573	0.9
105.06988	0.6
107.04933	27.4
107.08542	0.4
108.05242	0.4
109.02847	4.3
109.06514	0.4
109.10144	0.5
110.07127	0.6
111.08048	1.9
118.44705	0.3
119.08498	0.3
120.08083	15.2
121.06460	0.6
122.09634	0.8
123.08079	1.2
124.11195	0.8
126.05497	1.4
126.09138	4.1
127.03882	3.4
129.10191	0.9
130.06409	0.3
133.06038	2.3
136.07530	0.4
137.06000	0.7
140.10657	0.9
145.04962	1.6
145.06483	0.3
149.05969	0.8
161.06085	0.3
161.09601	0.3
163.07607	0.5
167.05559	0.7
171.11458	0.3
191.07040	0.3
195.10144	0.9
199.11150	1.1
202.71474	0.3
203.06981	0.4
203.10620	0.5
217.12187	3.0
228.13826	1.4
229.10588	3.6
233.16376	0.6
239.13850	4.1
246.14854	15.9
257.14932	3.8
261.15894	0.9
263.10294	0.6
272.16479	1.7
280.12845	3.4
283.03165	0.3
287.05518	2.1
288.05762	3.2
288.16006	0.4
290.17465	4.1
299.06021	1.7
327.87979	0.3
404.21884	0.5
492.25775	3.4
518.27277	3.5
536.21979	4.1
536.28461	100.0
537.21906	0.4
537.29004	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	536.1643
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42216	1.0
67.05490	2.1
69.85328	7.0
73.01530	1.0
73.04741	10.6
81.07033	2.5
91.05782	44.2
93.54826	1.0
95.08585	1.5
98.21458	1.5
114.07351	9.6
118.47482	1.0
145.70517	1.3
149.04471	7.3
158.51659	1.1
167.05527	47.6
167.06963	2.3
169.15500	1.2
190.07106	3.6
220.46690	1.1
223.06320	3.5
225.04288	9.9
227.02150	1.8
239.09444	8.9
246.64308	1.2
266.99869	11.9
281.05096	4.8
283.03027	15.9
285.00763	1.8
292.66739	1.1
299.06113	100.0
300.96442	1.2
322.07623	3.4
342.99628	2.5
344.97589	17.2
359.02863	9.3
367.99203	2.7
375.37930	1.3
415.03467	15.4
491.46741	2.7
503.10706	8.4
535.48730	4.7
536.41760	1.3
536.49493	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.3631
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	5.3
55.01861	5.8
55.05502	26.8
57.03419	8.6
57.07058	7.0
64.01159	2.2
67.05495	94.1
68.05817	3.7
68.63422	2.2
69.03416	4.6
69.07055	37.5
69.34167	4.1
69.34565	23.8
71.05015	5.5
71.08619	3.8
74.03281	3.1
79.05477	57.2
79.05945	3.3
81.03408	25.9
81.07044	99.7
82.07388	5.3
82.13850	2.3
83.04961	9.1
83.08603	18.1
85.02900	11.9
85.06524	4.1
91.03947	2.7
91.05459	78.9
93.07028	76.5
95.04955	10.7
95.08591	93.3
95.37363	2.3
96.08948	3.3
97.06512	14.1
97.10147	7.2
98.20690	4.9
99.08083	5.9
104.10720	4.1
105.07019	39.2
107.04929	5.0
107.08579	47.3
109.06522	6.0
109.10130	44.1
111.04411	3.2
111.08068	4.1
114.27164	2.9
117.07012	19.1
119.08567	73.9
120.77633	2.5
121.06435	4.8
121.10117	30.6
123.04431	17.6
123.08034	5.6
123.11674	10.9
124.12018	2.6
124.57859	2.9
125.09602	12.2
129.06998	9.0
131.08556	23.2
133.10139	29.7
135.08009	5.7
135.11658	19.3
137.09595	28.1
137.13223	4.0
139.11232	3.9
143.07010	7.3
143.08546	13.0
145.10081	23.4
147.08063	6.1
147.11674	18.5
147.68935	2.9
149.09618	4.4
149.13226	9.6
153.09087	11.6
155.08592	3.8
157.10074	8.1
159.07986	2.9
159.11630	18.6
161.13254	13.3
163.14821	5.5
165.05432	2.8
165.09090	23.8
165.16389	3.0
167.08499	3.0
169.10199	6.2
171.11674	10.8
173.13219	12.5
175.11194	2.5
175.14821	5.3
176.46915	2.6
178.04048	2.7
181.10150	3.5
183.10123	12.1
183.11688	9.7
184.07303	4.3
185.13225	10.0
186.92889	2.6
187.14795	8.3
191.14291	3.8
197.13165	5.0
199.09596	5.5
199.14780	3.7
201.16295	3.9
211.14795	3.1
229.14281	3.4
239.12672	4.8
239.17870	3.4
243.21098	3.5
245.22636	7.7
246.22942	9.0
257.13788	21.4
261.22034	18.7
263.23657	10.2
264.24045	9.7
283.19077	3.1
299.06119	4.8
303.23196	5.0
317.24829	4.4
327.23129	5.1
329.24472	3.0
335.25800	31.4
337.27435	3.9
338.27597	6.6
355.26270	3.9
356.05759	2.7
373.27386	3.5
389.28375	4.7
393.39163	2.7
405.26297	2.8
407.29453	14.8
419.27911	2.5
425.30243	11.3
443.31277	8.0
445.29675	4.9
459.30728	5.7
481.33032	3.2
499.34183	38.8
517.35156	100.0
535.35992	43.3
535.43719	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	535.3625
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	6.0
55.01849	6.8
55.05251	3.2
55.05502	37.9
57.03432	15.7
57.07068	3.7
60.06951	2.5
61.33950	2.1
65.03920	5.3
67.05492	88.5
68.05818	3.3
69.03414	3.1
69.07053	39.3
69.82142	7.9
69.82565	7.9
70.06561	11.7
70.77883	2.1
71.04970	9.4
75.89722	2.3
79.05481	72.0
80.05796	2.9
81.02956	3.4
81.03401	28.6
81.07043	100.0
82.07389	2.7
83.04967	8.7
83.08602	31.1
85.02888	2.3
85.06512	4.5
91.05455	59.1
93.07030	89.1
95.04959	17.6
95.08590	77.2
97.06510	19.0
97.10138	7.2
99.08058	4.2
105.07020	46.8
107.04952	17.2
107.08574	47.0
108.05255	4.3
109.06498	7.0
109.10148	40.4
111.07397	2.3
111.08043	12.3
111.11668	2.4
115.05448	3.4
117.06980	18.8
119.08557	46.2
121.06487	9.9
121.10123	32.7
123.08041	14.4
123.11642	11.1
125.05946	2.9
125.09610	7.9
127.07536	3.1
128.06226	3.2
129.06984	14.0
131.08542	37.6
133.06427	2.2
133.10101	33.2
135.08070	11.2
135.11662	16.5
137.09598	16.3
137.13181	2.7
139.07533	5.6
139.11111	5.4
141.06946	5.0
143.06998	8.6
143.08528	14.3
145.06450	3.6
145.10100	24.8
147.08029	4.0
147.11664	25.6
149.09560	7.0
149.13235	12.1
151.11082	3.9
153.09064	2.4
155.08531	7.1
157.08655	3.1
157.10089	12.4
159.11632	23.5
161.08127	3.5
161.09642	4.3
161.13260	15.7
163.11157	7.6
163.14775	5.2
164.07950	2.8
165.09117	11.1
167.05544	3.0
167.10635	4.0
169.10092	5.7
171.11606	14.9
173.13235	15.9
175.09668	4.6
175.14844	5.7
177.12669	4.2
181.10112	4.7
183.11658	8.1
185.11836	2.9
185.13240	12.3
187.11258	3.5
187.14766	5.8
189.16383	4.9
191.14246	3.7
195.11670	6.1
197.13225	5.2
199.09642	6.7
199.14867	6.1
201.11174	4.5
201.16426	3.7
211.13242	7.3
211.14980	5.1
213.11121	7.3
219.13789	2.5
221.13365	2.9
221.15417	2.4
223.14969	3.3
225.16313	3.3
229.14334	7.1
231.12222	4.4
237.16302	2.6
239.12750	22.9
253.19618	3.0
255.12193	3.0
256.16821	11.4
257.17252	8.3
259.20651	3.9
261.22159	7.1
271.20520	4.9
273.22104	4.4
287.19785	2.4
287.23630	9.1
289.21582	10.1
299.06009	6.4
301.25308	5.0
303.23343	5.5
305.24719	2.4
309.22275	3.1
313.21698	3.5
317.24771	4.2
333.24289	5.6
335.25861	11.5
345.24265	5.5
359.26498	2.7
363.25162	6.4
378.33594	2.8
379.29208	5.0
389.23425	2.9
389.28397	8.6
397.26312	2.9
397.31006	6.7
401.26459	3.8
405.26361	2.7
406.36676	2.7
407.29266	19.4
425.30197	19.1
443.31531	13.2
461.32687	2.8
465.68704	2.4
481.32941	6.3
497.87476	2.9
499.34119	61.4
517.35132	96.5
535.35913	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	535.1956
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.8
53.06434	0.4
55.01850	1.3
60.50039	0.4
69.07072	0.5
71.62772	0.5
71.63149	0.5
79.05502	0.8
81.03391	0.5
89.03898	3.2
91.05454	6.3
93.07007	0.5
95.04932	2.1
95.08591	0.7
101.21927	0.4
102.04632	0.5
103.05450	56.0
104.05845	0.5
105.07003	3.6
107.04926	0.5
115.05440	1.8
117.03358	8.4
119.04926	10.7
121.06481	1.5
122.06812	0.6
131.04904	100.0
132.05298	0.9
133.06444	3.4
134.03642	0.6
135.04388	1.1
137.05933	1.8
145.02823	19.3
147.04384	17.7
149.05981	4.1
151.07506	1.5
159.07988	0.5
161.05942	5.8
161.87100	0.5
162.06744	0.7
163.07520	26.6
163.20853	0.5
177.05440	45.0
179.06992	8.0
184.07260	0.6
186.05513	1.1
195.06453	0.8
199.07562	0.5
213.42268	0.4
253.08661	0.8
285.11234	0.8
291.10043	3.2
309.11185	3.1
517.21814	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.195
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	1.0
55.05492	1.7
57.07057	0.8
58.99566	1.8
67.05489	1.7
69.07047	2.6
70.41794	1.6
70.42194	1.6
79.05473	1.3
81.07059	1.5
83.08585	1.5
85.02913	0.7
86.09670	1.3
86.13741	0.7
86.99045	0.7
89.03899	1.9
91.04906	0.9
91.05421	4.1
93.07036	1.2
95.04934	1.2
97.10166	1.0
102.04654	0.8
103.05451	51.4
104.10729	1.6
105.07006	2.1
109.10191	0.6
115.05437	1.0
116.01672	4.1
117.03377	5.4
119.04927	4.8
121.06466	6.6
122.06828	3.3
131.04909	100.0
132.05214	1.1
133.06476	1.6
134.03607	0.7
136.55524	0.7
137.05951	1.1
144.01144	2.0
145.02815	11.2
147.04393	6.4
149.05969	2.4
151.07552	1.0
161.05948	3.5
162.02180	7.3
163.02547	1.5
163.07521	28.3
167.04057	0.8
168.29347	0.6
177.05452	21.9
179.07011	3.9
184.07327	1.4
186.05573	0.9
199.07610	0.8
203.07028	2.0
220.10471	1.3
231.06332	0.8
232.06844	0.6
247.79695	0.6
299.06116	0.7
343.19370	1.0
389.25330	1.5
389.92853	0.7
459.29129	0.8
460.29172	1.5
535.31476	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.0458
Annotation	Unknow
Peak:m/z	Relative Intensity
54.29154	0.5
56.58683	0.6
58.09933	0.5
65.75211	0.6
70.06570	0.5
71.61654	1.0
88.28426	0.6
94.92989	2.4
96.92822	0.6
97.94442	0.5
112.89594	1.8
114.89307	1.8
116.89103	1.0
136.93976	1.0
139.91403	0.6
144.45508	0.6
192.92995	1.4
192.99843	7.4
193.98253	1.1
201.01662	0.8
222.32309	0.6
230.88599	1.5
232.88210	0.9
232.90215	1.2
232.92247	2.1
246.94841	0.6
248.89594	2.2
253.00752	1.1
333.87546	0.8
381.07892	100.0
382.08005	0.8
419.03696	1.2
535.17432	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1651
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	5.8
57.03404	6.5
58.93653	4.8
64.85207	4.7
69.73917	37.3
70.06601	4.9
76.33196	4.4
81.03406	6.9
85.02894	37.2
86.09660	5.3
87.08223	4.8
93.03391	5.5
94.11283	4.7
97.02856	11.7
98.21404	6.4
103.03927	7.5
107.04901	6.6
109.02863	11.9
121.02831	12.8
127.03832	4.7
131.04846	7.1
135.04384	11.8
137.56064	5.1
139.03865	5.8
145.85321	4.8
147.04384	12.0
151.03867	6.9
159.04494	5.0
161.05930	7.7
163.03888	17.1
173.05966	7.2
175.03883	20.2
177.01866	9.9
177.05475	10.7
181.04886	6.9
185.05972	7.3
187.03929	9.7
189.01816	10.1
189.05399	6.6
191.03351	11.7
193.04948	11.5
195.02895	15.9
201.01758	10.4
201.05411	16.0
203.03383	10.1
203.06979	5.9
205.04959	26.5
207.02867	16.8
213.05389	13.3
215.03412	12.0
216.04181	10.8
217.04919	81.9
219.02856	45.5
221.04457	11.9
225.03897	13.3
227.06918	5.9
229.04930	77.6
230.05753	8.0
231.02864	23.3
231.06470	16.0
233.04376	11.2
235.05984	18.4
237.03893	16.3
239.06934	5.3
241.04846	14.3
243.02832	22.5
243.06519	31.8
245.04465	8.1
247.06007	56.0
249.03906	10.3
255.03169	5.4
255.06400	10.3
257.04431	14.3
257.08008	11.0
259.06006	76.5
261.03915	47.1
263.05508	10.0
265.07004	20.5
269.07977	9.7
271.05997	56.6
273.03943	21.6
273.07516	17.1
277.07083	48.0
283.05948	25.9
285.03949	33.6
285.06946	5.9
289.07034	17.5
291.04901	14.7
295.08295	7.1
297.03897	14.6
297.07416	10.1
299.05450	10.5
301.07004	60.2
303.05051	15.6
307.05627	6.3
313.06946	40.1
319.08026	14.8
321.06113	16.0
325.06931	17.5
327.04852	24.6
331.08041	42.2
343.08200	33.7
345.06094	12.6
349.09137	38.5
355.07819	13.8
357.06061	8.7
361.09198	40.4
363.06998	8.9
367.08298	21.9
379.10205	100.0
385.09109	31.3
387.06876	7.3
393.08261	5.8
397.11340	81.1
403.10175	47.7
405.08231	6.1
415.10242	13.6
421.11359	26.0
423.09268	11.5
427.10178	17.4
433.11298	53.4
441.10162	15.9
445.11206	36.7
459.11523	5.2
463.12265	39.5
481.13370	28.9
499.14035	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	534.4869
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80875	0.4
55.05427	2.5
56.04977	0.7
57.06992	2.6
60.36680	0.4
67.05407	3.7
68.04942	0.8
69.06971	5.2
69.56973	1.6
69.57404	1.5
70.06501	0.6
71.08546	1.3
73.02837	0.9
73.06468	0.9
74.02382	0.5
79.05389	1.7
80.04913	1.9
81.03360	0.6
81.07027	3.0
82.06509	0.9
83.08599	2.3
84.08058	0.9
85.10087	0.5
86.09597	1.6
87.04369	0.5
88.03883	2.0
89.61657	0.4
91.05380	1.2
93.07031	2.8
94.06554	3.2
95.04868	0.5
95.07248	1.1
95.08591	2.6
96.08037	0.9
97.06427	0.9
97.10052	1.3
105.06960	0.9
107.08468	1.6
108.08085	2.0
109.06445	0.5
109.08808	0.6
109.10036	1.1
119.08457	1.0
121.09998	1.2
122.09561	1.1
123.11583	0.9
124.11099	0.7
125.36897	0.4
135.11624	0.5
136.11131	0.9
147.11592	0.7
150.12729	0.6
156.06448	0.5
180.10065	1.4
192.17340	0.9
194.11690	2.8
198.11143	1.1
206.18907	0.9
208.13190	0.8
210.14783	0.7
212.12769	0.9
220.18591	0.7
220.20575	12.9
222.14746	1.4
222.22008	0.6
234.19916	0.6
234.22125	8.3
248.21315	0.4
248.23689	4.8
250.25111	0.8
262.25275	3.0
264.26581	0.5
276.26743	0.9
278.28366	1.4
304.29956	1.2
324.28873	2.3
334.27362	1.1
336.28876	0.6
348.29010	2.5
374.37759	15.0
375.38217	0.8
376.39362	0.6
388.39078	1.1
402.40881	0.5
424.74069	0.5
434.39813	1.8
444.45346	1.0
488.44598	0.8
490.46115	73.6
491.46448	2.8
492.47690	1.7
534.48737	100.0
535.48901	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.4871
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69274	0.4
55.05426	1.7
55.05691	0.7
56.04970	0.8
57.03410	0.4
57.06990	2.0
57.07292	0.6
59.04946	0.5
62.07161	0.3
67.05408	2.8
68.04949	0.5
69.06969	7.2
69.07387	0.8
69.26355	1.1
69.26778	3.6
71.08556	1.1
73.06454	1.3
79.05458	1.8
80.04994	3.1
81.03345	0.6
81.06948	3.0
82.06461	1.2
83.08514	1.8
86.09590	2.1
87.04387	0.9
91.05389	1.1
93.06938	1.6
94.06551	2.0
95.07266	0.8
95.08584	2.7
96.08025	1.6
97.06463	0.8
97.10072	1.1
98.05956	1.1
98.09615	1.0
105.06915	0.5
107.08495	1.1
107.14123	0.4
108.08096	2.3
109.08826	0.5
109.10093	0.7
110.05903	0.5
116.10641	0.5
119.08467	0.7
121.06448	0.6
121.10076	0.7
122.09560	0.7
124.11172	0.8
131.64783	0.4
135.11577	0.6
136.11000	0.5
140.10591	0.7
143.91684	0.4
166.08466	0.5
166.12126	1.0
183.72188	0.4
186.11163	0.6
194.11728	4.6
206.18787	0.6
210.14792	1.0
212.12718	1.5
220.20546	13.6
222.14761	1.1
222.22034	1.0
234.19920	0.6
234.22110	8.4
236.16266	0.5
248.23703	5.4
250.25250	0.5
262.25153	1.1
264.26752	0.5
264.65845	0.4
276.26752	0.7
278.28320	2.8
292.22653	0.4
296.25845	0.8
304.29950	0.7
324.28860	2.4
334.27261	1.2
336.28909	0.7
348.28787	1.5
374.37726	13.4
375.38516	1.0
376.39352	2.3
392.38800	0.7
410.79654	0.5
434.39658	0.5
444.45432	0.8
470.39926	1.1
488.44272	0.8
490.46094	69.3
491.46414	1.7
492.47589	1.1
532.25568	0.4
534.48700	100.0
535.49048	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.4874
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13266	0.3
53.03869	0.3
55.05425	3.3
55.05708	0.6
55.35269	0.3
55.71254	0.3
56.04957	0.6
56.05212	0.3
56.94186	0.3
57.03365	0.5
57.03610	0.3
57.06982	1.6
59.04908	1.4
59.13825	0.3
61.91227	0.3
63.47922	0.3
67.05402	3.0
67.05785	0.4
68.04955	0.5
69.06966	2.4
69.64738	2.4
71.04930	0.4
71.08525	1.0
71.08888	0.4
72.04456	0.6
72.08054	1.7
73.06478	0.7
79.05383	1.5
80.04907	2.5
81.06943	3.7
82.06472	1.1
83.04868	0.5
83.08516	1.6
84.08031	1.7
85.10105	0.4
87.04359	0.4
88.02100	3.0
89.05910	0.3
91.05451	1.5
93.05698	0.5
93.06930	2.7
94.06450	2.5
95.07277	0.5
95.08481	2.6
96.07999	1.4
97.10080	0.7
98.05937	1.1
101.05879	1.1
102.09121	0.6
103.05357	0.4
105.06905	1.1
107.07240	0.5
107.08456	1.3
108.07990	1.4
109.08827	0.6
109.10031	1.5
110.09536	1.4
118.06369	0.3
119.08441	1.1
121.06413	0.7
121.09997	0.9
122.09636	1.9
123.11590	0.5
130.08543	0.4
130.88927	0.3
133.09993	0.5
135.11584	0.7
136.11067	0.5
138.12656	0.4
146.05836	0.4
146.09616	0.4
150.12671	0.5
152.10605	0.8
156.10114	0.5
162.12521	0.3
172.09590	0.7
180.08853	0.3
180.10178	3.7
184.45842	0.3
194.11638	1.1
196.13251	0.7
198.11108	1.4
208.13400	1.5
220.20569	7.5
222.14658	0.5
222.22215	0.4
234.22137	8.3
236.23532	1.0
248.21237	0.5
248.23694	6.1
250.25180	0.7
262.25296	4.8
264.26691	1.3
274.25540	0.3
276.26718	1.0
278.28308	1.2
280.26276	0.4
290.28238	0.6
304.29868	0.6
310.27267	1.3
320.25732	0.5
322.27350	0.9
324.28833	1.3
327.63275	0.3
334.27347	1.6
336.28793	0.6
347.35013	0.4
348.28989	1.1
350.30347	0.5
358.18298	0.4
374.37723	1.5
388.34552	0.7
388.39313	11.1
389.02078	0.3
389.39740	0.4
390.40775	1.1
398.91168	0.4
414.40894	0.7
422.78574	0.3
444.45593	0.8
455.39731	0.4
462.46616	0.4
488.44705	1.1
490.46136	65.2
491.46906	1.7
492.47540	1.0
516.47412	0.5
534.48755	100.0
535.27130	0.9
535.49438	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.43
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60522	0.3
53.03934	0.3
57.07056	0.5
67.05473	0.5
69.07045	0.8
71.54807	0.3
71.55148	0.5
79.05056	0.6
79.05486	7.6
81.07034	0.5
83.08627	0.3
86.09693	0.3
91.05436	0.4
93.07015	1.1
94.06579	0.3
95.04937	1.2
97.10033	0.3
103.05458	15.6
105.07019	1.8
107.04951	8.5
109.10143	0.3
111.95753	0.3
112.11253	0.4
118.06530	4.1
118.12979	0.3
118.71042	0.3
121.06516	0.6
131.04913	4.3
131.17596	0.3
132.08078	1.9
133.03189	0.4
133.08846	0.6
137.68825	0.3
146.09648	3.3
149.05914	0.4
152.16837	0.3
160.11200	0.8
165.99138	0.3
174.12831	0.3
206.71330	0.3
220.20584	1.3
230.19009	0.5
234.22205	0.4
244.20477	0.4
258.22195	0.5
266.11630	0.6
272.23694	0.7
274.20581	0.3
280.13223	0.5
294.14865	1.2
374.37668	0.7
384.62616	0.3
386.37759	21.8
396.19650	0.3
402.39963	0.5
490.46304	5.0
534.42828	100.0
535.43262	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	534.4295
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02364	0.3
53.03916	0.5
55.05486	0.2
57.07064	0.5
67.05470	0.5
69.07036	0.4
71.57759	0.4
79.05477	10.3
80.04997	0.2
81.07045	0.5
85.10159	0.4
85.96496	0.2
86.09684	0.4
87.04452	0.3
91.05444	0.5
92.84013	0.2
93.07022	1.0
95.04941	0.9
95.08578	0.6
97.10135	0.4
103.05446	17.1
105.07019	1.9
107.04933	9.5
107.07288	0.3
107.08624	0.3
108.08148	0.2
109.08546	0.2
115.24220	0.2
118.06516	3.2
119.08547	0.2
120.08088	0.3
121.06491	0.6
129.06918	0.3
131.04900	5.6
131.07269	0.3
132.08070	2.3
132.10182	0.2
133.08812	0.7
134.03261	0.3
144.08081	0.4
146.09619	5.0
149.05904	0.6
160.11215	0.9
188.14342	0.5
190.08563	0.6
202.15871	0.5
204.10280	0.4
220.20580	0.3
230.19087	0.3
244.20531	0.5
246.22047	0.6
258.22134	0.5
260.23676	0.4
266.11649	0.6
272.23740	0.3
277.78674	0.2
280.13251	0.6
286.25369	0.5
294.14893	0.9
308.16431	0.3
309.01846	0.2
386.37723	23.2
387.37991	0.4
448.04028	0.3
490.46051	3.1
534.42877	100.0
535.43005	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.3635
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.7
55.01867	1.6
55.05502	16.1
57.03429	4.5
57.07062	9.5
60.08158	2.3
60.48108	1.2
61.02915	7.2
62.05809	1.1
62.21605	1.2
65.03927	2.1
67.05495	78.6
69.03416	3.5
69.06709	2.5
69.07060	27.2
69.96723	2.5
69.97124	7.3
70.16578	1.2
71.04978	2.7
71.08629	5.0
73.02911	2.6
79.05482	24.3
81.03422	2.8
81.07045	96.7
83.04980	3.3
83.08605	20.5
85.02900	7.5
85.06522	2.8
85.10188	2.6
85.59771	1.3
86.09681	7.0
89.06013	3.7
91.03977	2.3
91.05466	20.1
93.07027	28.6
95.04957	2.6
95.08591	87.3
95.99434	1.4
97.02882	5.0
97.06522	6.1
97.10155	14.0
98.02055	1.5
99.04402	1.4
99.08076	3.9
104.10745	11.1
105.07005	13.3
107.04967	2.2
107.08585	20.2
109.06493	1.7
109.10143	40.0
111.08089	4.8
111.11720	5.1
113.09671	2.2
116.14972	1.4
119.08565	12.4
121.10120	26.1
123.11690	23.5
124.99950	4.0
125.09622	3.2
131.08554	1.6
133.08575	1.9
133.10117	16.4
135.11661	12.9
137.13216	9.4
141.12738	4.2
143.08556	1.4
145.04889	2.2
147.11649	13.6
149.13243	12.3
151.14799	7.1
153.12793	1.7
155.14279	3.7
161.13231	18.0
163.14784	9.0
163.88060	1.4
165.12752	1.9
165.16365	9.6
167.14209	1.6
175.14778	13.8
177.16214	1.5
179.17863	9.1
184.07339	9.9
189.16400	5.4
203.17946	2.1
227.19995	8.5
245.22612	73.9
263.23663	100.0
281.24893	2.3
308.23053	1.6
337.27316	48.4
355.28268	6.1
371.25684	4.5
389.26788	2.3
400.70535	1.3
407.27817	3.8
425.29111	2.9
516.34113	5.6
534.25751	3.0
534.35333	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	534.3632
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53022	1.2
53.03951	2.2
55.01879	1.2
55.05250	2.0
55.05503	21.0
57.03419	7.8
57.07066	11.7
58.06597	1.4
60.08158	10.6
61.02917	6.5
61.69168	1.1
65.00620	1.2
65.03941	1.8
67.05495	86.7
69.06709	2.3
69.07059	28.6
70.22844	5.4
71.01245	1.1
71.04980	3.0
71.07363	3.6
71.08607	5.6
73.02898	1.1
75.99138	1.2
79.05480	23.5
81.07046	92.0
83.04974	1.9
83.08607	26.9
85.02897	5.0
85.06540	3.6
85.10161	2.5
86.09691	34.1
89.41677	1.1
91.03942	2.2
91.05468	15.7
93.07028	30.2
95.08592	85.9
97.02885	4.3
97.06528	7.4
97.10152	13.9
98.98502	1.1
99.08084	4.9
101.15356	1.1
103.47971	1.3
104.10727	79.5
105.07019	11.9
107.08576	19.4
109.10137	45.2
111.08067	4.1
111.11701	4.4
113.09625	2.3
119.08577	11.4
121.10123	28.1
123.08060	1.3
123.11675	21.9
124.99989	14.3
125.09611	1.8
125.13244	2.0
127.11244	1.6
133.10114	18.1
135.11668	12.7
137.09627	2.8
137.13228	8.9
139.11089	1.6
141.12715	4.8
147.11687	10.1
149.13245	9.2
151.11214	2.5
151.14810	5.2
153.12756	1.5
155.14276	4.5
161.13245	13.7
163.14769	11.9
165.12698	1.2
165.16412	11.5
175.14806	11.9
177.16359	2.5
179.14293	1.5
179.17908	7.1
184.07317	48.0
189.16321	5.4
203.18018	1.9
207.17390	1.4
217.19475	1.7
245.22624	74.9
246.23174	1.3
256.17007	1.9
259.31583	1.4
263.23660	100.0
265.25238	2.1
281.24686	1.7
298.49326	1.1
317.24216	1.1
337.27325	68.5
348.04025	1.3
355.28357	10.6
475.22400	9.1
499.32541	3.3
516.34271	4.1
534.28229	5.3
534.35797	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	534.3176
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05015	0.7
58.06584	0.7
60.07872	0.5
60.08150	6.2
67.05471	0.7
70.06557	0.6
71.07026	0.3
71.07359	2.3
71.08600	0.5
71.57364	0.6
77.34840	0.4
79.05470	0.5
81.07007	0.6
86.09691	29.4
87.09982	0.5
91.05473	0.6
93.07003	0.7
95.08525	0.5
98.98434	2.1
104.10728	5.6
105.06972	0.5
119.08479	0.4
119.54484	0.3
121.06422	0.4
122.07185	0.4
123.12479	0.3
124.99982	19.7
131.04926	0.4
143.00970	0.4
162.06786	0.3
178.05789	0.3
184.07304	100.0
185.07646	1.1
189.95905	0.3
241.34097	0.3
296.39426	0.3
516.30939	1.0
518.04242	0.3
534.31854	10.4
535.31982	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.3265
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	4.2
55.01863	4.6
55.05496	7.7
57.03432	16.1
59.10765	1.5
65.03929	2.2
67.05495	23.7
68.05027	1.9
69.03415	4.0
69.07053	22.8
70.06589	3.9
71.04983	3.2
71.62966	1.9
79.05481	26.3
81.03406	100.0
81.07046	25.0
83.04969	6.6
83.08606	10.3
84.04504	1.9
84.08123	1.8
85.02890	10.6
85.06522	2.2
86.09701	4.0
91.05466	40.7
92.05822	2.0
93.07030	19.5
94.73723	1.9
95.04951	16.6
95.08591	19.6
97.02876	5.7
97.06524	8.0
103.05437	2.7
105.07014	19.2
107.04939	8.5
107.08559	10.3
109.06497	5.4
109.10142	8.4
110.07145	2.3
111.04424	3.2
111.08091	5.7
113.09787	2.0
117.06998	7.8
119.08559	41.2
121.06461	11.3
121.10130	13.9
123.08048	11.1
125.09634	2.1
127.03957	1.8
128.06178	1.8
129.06993	7.5
131.04832	2.6
131.08521	12.2
133.06470	4.4
133.10132	8.1
135.08040	4.2
137.05960	2.4
137.09602	23.0
141.09052	1.9
143.07024	5.1
143.08540	4.8
145.06516	1.8
145.10121	3.5
147.08022	12.3
147.11659	7.8
149.05963	2.0
149.09622	7.4
151.07549	3.0
157.10098	9.1
159.11676	2.9
161.08102	2.0
161.09578	3.1
163.07553	2.1
165.09090	23.7
175.11177	7.1
177.05493	7.3
177.09134	2.3
183.10211	4.8
184.07249	2.9
189.16434	1.7
193.12219	15.4
199.14806	4.1
205.12228	1.9
211.13225	9.9
217.16008	2.2
219.06773	1.5
227.10681	2.5
239.12738	70.5
245.15353	3.6
257.13797	13.2
267.15869	37.9
285.17029	12.6
309.07397	2.2
337.20053	59.9
339.19540	8.7
357.20557	11.1
375.21591	2.2
405.22748	7.4
413.23264	4.9
431.24252	47.6
445.87222	2.1
449.25259	48.9
534.34845	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	533.3465
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	6.5
55.01852	7.5
55.05504	22.3
55.31281	1.9
57.03420	15.1
57.07052	4.6
62.65915	1.7
67.05495	71.7
69.03405	3.7
69.07069	17.8
71.04976	4.5
71.63426	2.9
71.63817	1.9
76.72427	1.9
77.03916	2.2
79.05482	78.2
81.03394	5.9
81.07043	79.5
83.04970	5.8
83.08605	15.4
85.06563	3.6
91.05472	36.3
91.14075	1.6
93.07032	83.7
95.04953	13.3
95.08591	76.0
97.02879	5.9
97.06528	10.9
97.10166	3.6
99.04453	3.7
99.08056	3.1
105.07007	25.5
107.04940	10.2
107.08578	47.2
109.06515	6.6
109.10140	14.4
111.08049	4.3
117.07001	20.2
119.08572	24.5
121.06489	7.9
121.10121	35.2
123.08064	4.0
123.11706	5.1
125.09615	4.8
128.06116	2.5
129.06989	6.6
131.08551	16.9
133.10097	16.6
135.08047	9.7
135.11671	53.2
137.09602	4.7
139.07571	3.5
143.07008	2.6
143.08533	2.3
145.10091	35.1
147.11685	8.9
149.09604	3.9
149.13203	9.3
153.09006	2.6
157.10095	3.6
159.11627	9.3
161.13260	4.4
163.07529	3.9
163.11156	52.6
171.11734	4.4
173.13245	8.0
181.08630	4.2
181.10138	2.3
181.12245	8.6
185.13255	3.8
187.14830	3.8
205.19374	2.5
209.13307	2.7
210.68904	2.3
215.17946	17.7
227.12743	84.9
233.18954	24.9
241.22215	2.2
242.51184	2.0
255.12296	3.2
261.22107	2.9
282.67096	1.8
283.15344	45.2
289.21725	3.6
299.23459	2.2
307.22635	100.0
315.23450	2.6
335.25781	3.1
392.38934	3.9
395.29581	2.4
423.28790	4.5
431.18234	2.6
441.29819	4.0
446.20950	3.4
447.21640	3.8
452.70883	2.2
459.30380	2.4
497.32434	8.1
515.33612	75.8
533.25293	25.4
533.34540	30.2
534.25885	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	534.2765
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05251	0.6
55.05504	7.1
56.05033	1.9
57.05815	1.0
60.04516	12.2
61.17068	0.3
69.69210	0.9
69.69636	1.6
70.06590	2.0
72.08145	100.0
74.06062	3.3
75.08214	0.3
84.04500	0.8
84.08133	0.5
85.70081	0.3
86.09695	34.3
87.05586	0.5
88.07629	0.4
98.06039	5.3
101.07147	0.8
110.09645	0.4
112.03963	2.4
116.07076	16.5
125.07098	0.5
126.05557	0.7
128.10727	0.7
130.05087	0.4
135.62651	0.4
143.08145	6.2
145.06015	0.4
159.11331	1.3
161.09186	7.1
171.07628	20.5
173.12822	2.4
183.11259	0.7
185.16484	6.2
187.10843	1.1
187.14427	1.7
189.08665	7.9
201.12363	1.3
213.15947	8.0
215.14030	0.4
225.12428	1.5
242.14905	2.4
243.02794	0.4
243.13445	0.4
244.13097	0.4
247.12859	15.1
270.14456	35.3
271.14816	0.6
284.16068	0.6
288.15503	26.4
289.16064	0.9
292.61826	0.4
302.17075	0.7
320.14691	0.5
328.18716	0.5
346.19662	4.2
346.23264	0.5
355.23611	0.4
356.21735	0.6
357.21359	0.4
373.24417	3.8
383.22745	2.2
401.23911	10.0
422.07919	0.3
516.26776	0.7
534.27710	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.3466
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.8
55.01873	5.8
55.05502	12.5
57.03437	11.0
57.07067	2.5
65.03935	3.5
67.05495	49.3
69.03419	2.7
69.07056	10.2
69.36698	10.5
71.04985	4.2
73.02906	1.6
79.05481	48.9
81.03416	2.2
81.07044	43.2
83.04968	3.5
83.08600	5.6
85.02875	1.6
85.06547	2.7
91.05464	25.3
91.06002	1.8
93.07031	46.9
95.04956	5.1
95.08593	32.1
97.02873	5.9
97.06532	3.4
97.10163	2.9
99.00817	1.0
99.04443	12.2
99.08062	1.2
103.05427	1.1
105.07017	13.4
107.04940	15.1
107.08575	55.0
109.02836	1.1
109.06490	2.1
109.10140	14.7
111.04442	2.9
111.08048	1.2
115.05450	3.0
117.06999	35.7
119.04948	1.0
119.06092	1.3
119.08570	11.2
121.06465	11.2
121.10136	17.4
123.11684	5.5
125.09621	5.0
131.08531	8.8
133.06462	1.7
133.10094	7.0
135.08031	61.4
135.11647	12.1
135.62167	0.9
137.09612	1.4
137.13245	2.6
144.14963	0.9
145.06450	6.7
145.10083	6.8
147.11684	4.7
149.09581	1.5
149.13206	6.9
153.09100	9.0
159.11621	4.4
160.26707	0.9
161.13268	4.6
163.07515	54.4
163.14830	3.4
173.13181	5.3
175.14816	1.2
177.16400	2.2
181.08594	11.1
187.14810	2.4
199.09630	100.0
233.22794	1.0
243.21083	8.0
255.12239	83.8
261.22104	34.5
276.47223	1.0
279.23108	1.6
317.24731	7.6
335.25748	65.7
336.25598	0.9
423.29059	1.5
441.30011	2.1
455.71457	1.0
515.33630	41.1
533.34656	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	533.2591
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	4.0
55.01859	3.8
55.05515	2.2
56.58344	0.9
57.03444	5.6
60.14786	1.1
61.02921	9.2
67.05495	3.3
69.03419	28.8
69.07058	11.4
69.27665	1.1
69.27969	11.9
70.06577	4.6
71.04990	4.6
71.05314	0.8
72.08136	2.3
73.02901	4.7
78.50173	1.0
79.05489	3.3
79.31110	1.1
81.03403	13.8
81.07051	5.8
83.01290	1.4
83.04991	1.7
83.08628	1.3
84.04471	1.5
84.08143	2.0
85.02895	100.0
85.06543	1.0
86.09710	3.4
87.00788	1.0
87.04441	5.4
91.03936	3.3
91.05463	3.1
93.07058	5.1
95.04958	7.4
95.08588	6.7
97.02879	39.3
97.03505	1.9
97.06517	4.5
99.04440	8.0
103.03906	1.3
105.07012	5.3
107.04945	1.7
107.08568	6.1
107.77052	1.0
109.02859	11.5
109.06516	4.3
109.10169	2.3
119.08569	3.6
121.06505	4.4
121.10146	4.7
122.07262	3.6
123.04415	1.6
123.08050	19.7
123.11695	1.1
127.03905	29.2
129.10254	1.3
131.08580	1.7
133.10101	6.9
135.08043	26.0
135.11665	4.9
137.09615	1.9
145.04939	34.7
145.10143	2.3
147.11685	3.2
149.09616	1.8
149.13242	2.2
159.08060	1.1
161.09639	1.2
163.05974	5.5
165.12729	19.9
171.06506	1.9
175.14844	4.4
176.11978	4.1
189.07599	2.8
191.14282	97.4
192.14664	1.8
193.15836	11.9
205.08589	2.1
207.13800	3.2
209.15334	17.0
353.19684	3.2
367.42148	1.0
371.20636	12.7
510.04843	1.1
533.25903	51.3
534.26483	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.3464
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	7.1
55.01860	15.6
55.05505	30.4
57.03444	9.8
57.07071	3.4
65.03931	6.8
67.05494	85.6
69.03418	3.0
69.07059	20.0
71.04973	8.1
79.05479	100.0
81.03410	9.1
81.07048	75.7
83.04967	26.6
83.08615	14.5
83.40602	1.8
85.02904	6.2
85.06499	4.8
91.05465	55.6
93.07030	92.7
95.04954	20.2
95.08593	46.2
97.06510	14.5
97.10163	5.5
99.04430	6.8
99.08081	7.4
105.04527	3.5
105.07015	33.1
107.04948	12.4
107.08583	43.4
109.06506	5.2
109.10142	18.5
111.04426	28.9
111.08082	9.4
115.05436	2.8
117.06997	23.4
119.08547	26.5
121.06455	5.3
121.10120	61.9
123.04427	2.6
123.08035	3.5
123.11692	5.4
125.05972	4.6
125.09611	6.5
128.06201	2.5
129.06987	11.6
130.07814	3.2
131.08540	27.1
133.10109	25.0
135.08060	8.2
135.11667	34.4
137.09622	4.3
141.06998	2.9
143.08583	6.9
145.10097	34.4
147.08060	4.5
147.11694	12.9
149.09583	13.3
149.13254	9.4
153.12729	12.7
155.08459	4.8
157.10152	6.2
159.11685	10.4
161.09625	5.7
161.13187	3.8
163.11157	32.8
169.10075	2.6
171.11665	5.2
173.09599	11.8
173.13217	11.4
175.11249	4.0
177.12711	2.3
181.12221	23.7
183.11781	2.9
185.13283	2.9
185.44557	2.0
185.74042	2.0
187.14842	4.4
189.11250	2.4
189.12770	2.6
191.10645	28.3
195.11588	2.3
199.09599	2.5
209.11746	6.8
215.17946	16.2
227.12790	21.8
233.18880	11.5
257.19012	3.0
261.18402	2.3
265.14261	5.9
275.20163	4.0
283.15341	35.0
289.21423	3.1
301.16608	5.6
307.22632	12.1
317.20700	2.4
389.11584	2.3
423.28845	7.0
441.29800	4.8
487.34344	6.9
497.32373	8.0
515.33539	44.3
521.47668	2.1
533.34674	97.9
534.34979	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	533.2166
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01587	0.2
51.02366	0.3
53.03937	1.5
55.01856	0.6
55.06607	0.1
57.03434	0.2
59.47114	0.1
65.03941	0.2
66.44733	0.2
67.05486	0.5
69.03421	0.2
69.07053	0.3
71.04952	0.2
71.62468	0.2
77.03913	0.4
78.04712	0.2
79.05482	0.6
81.03406	0.4
81.07047	0.3
83.08585	0.3
91.05465	7.3
93.07030	11.4
95.04957	3.6
95.08577	0.4
97.06519	0.5
103.05451	9.0
105.04501	0.6
105.07037	0.3
107.04937	0.2
107.08591	0.2
109.10136	0.2
117.03340	0.2
120.05701	0.2
121.06483	100.0
121.38998	0.1
122.06831	0.8
129.07018	0.2
131.08546	0.2
133.10201	0.2
135.11687	0.2
137.05936	1.0
145.02827	0.4
145.06467	0.5
147.04466	0.2
149.02309	0.3
151.03880	1.4
158.07269	0.3
159.08069	0.2
161.06001	0.2
163.03925	0.2
165.05420	0.2
173.05917	0.2
177.05441	0.9
180.69836	0.1
186.06747	0.3
187.07443	0.2
193.04929	0.4
201.05450	0.2
201.09088	1.2
203.03352	0.3
204.07831	0.3
209.09636	0.2
211.07524	0.3
219.06496	0.3
219.10118	3.9
221.04204	0.2
225.09067	0.5
227.10687	0.3
239.85783	0.2
243.10141	0.2
247.07355	0.2
248.08200	0.5
249.05450	0.2
249.09013	0.4
253.08560	0.2
261.09082	0.3
262.06189	0.2
263.06897	0.3
264.07764	0.2
265.08310	0.2
271.09613	0.6
276.07837	0.6
277.05792	0.3
277.08493	1.3
281.08066	0.3
285.09177	0.2
288.04099	0.2
289.08752	0.3
289.12195	0.3
291.06754	0.2
291.10184	0.5
292.07236	0.7
293.08231	0.4
294.08771	0.2
299.09067	1.6
303.10291	0.2
304.10776	0.2
305.08182	0.4
307.09540	1.1
308.06845	0.2
309.11282	0.3
317.11716	0.4
319.09692	0.3
319.13065	1.3
320.10370	0.6
321.11084	0.4
321.14676	0.3
323.09152	1.2
331.13293	0.4
333.07407	0.2
333.14822	0.5
334.12076	0.3
335.09003	0.4
335.12622	0.3
341.10205	0.2
349.14325	2.2
351.15765	1.8
359.12811	0.4
367.15344	3.2
377.13724	2.1
395.10522	0.1
395.14825	3.3
453.16769	0.2
487.21170	0.2
515.20471	0.4
515.33209	0.2
533.23877	0.3
533.35602	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2164
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01581	0.3
51.02359	0.4
53.03942	1.5
55.01859	0.5
55.05500	0.4
65.03905	0.3
67.05485	0.9
69.07058	0.5
70.06579	0.3
71.62553	0.5
77.03906	0.3
79.05480	0.8
81.03384	0.5
81.07037	0.7
83.08611	0.3
84.42961	0.2
90.29717	0.2
91.04883	0.3
91.05468	7.6
93.07034	10.2
95.04954	3.7
95.08559	0.6
97.06487	0.3
100.33401	0.2
103.05455	8.6
105.04505	0.8
105.07007	0.5
107.04935	0.5
107.08622	0.3
117.06964	0.3
119.08543	0.2
121.06488	100.0
122.06838	0.7
128.06200	0.3
133.10109	0.3
135.04472	0.3
137.05943	0.9
145.06461	0.7
145.10136	0.2
147.04340	0.4
147.11615	0.2
151.03882	2.1
158.07248	1.0
159.08022	0.3
160.08830	0.4
161.05885	0.2
162.02234	0.4
163.03873	0.5
171.08052	0.5
173.05991	0.3
173.09619	0.5
175.03908	0.3
177.05447	0.7
183.08067	0.8
186.06752	0.6
197.09531	0.4
201.09094	4.9
203.07019	0.5
204.07773	0.9
209.09747	0.3
215.51733	0.2
219.10132	15.2
225.09023	0.2
227.10667	0.3
231.06416	0.4
232.06779	0.2
243.10329	0.5
249.09140	0.4
277.08658	1.0
281.08173	0.6
291.10184	0.3
292.07355	0.5
299.09006	2.3
305.08215	0.4
307.09579	1.4
318.12714	0.2
319.13263	0.4
320.10419	0.7
321.14615	0.3
323.09116	0.4
335.08868	0.3
349.14203	2.4
351.15793	1.8
367.15335	3.4
377.13834	1.0
386.25504	1.0
395.14850	2.6
413.16138	0.3
487.20953	0.5
515.20398	1.9
515.33380	0.4
522.87134	0.3
533.34308	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1441
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43103	1.0
55.01861	1.5
55.05509	1.8
56.36131	1.0
65.03931	2.6
67.05491	2.7
69.07072	1.3
70.35171	4.8
79.05470	3.7
79.60934	1.0
81.07027	1.8
89.03906	11.5
91.05472	8.0
93.07013	1.9
95.04959	1.5
95.08567	1.2
98.21376	1.4
100.28027	1.1
102.04672	13.9
103.05447	19.0
105.03411	2.5
105.07015	4.8
107.08605	1.3
110.07184	1.3
115.05466	1.7
117.03365	27.9
119.04919	4.8
121.02847	2.7
121.06477	1.5
130.04135	20.3
131.04913	74.8
133.02827	3.9
133.06468	3.7
134.03613	2.9
135.04411	3.5
137.05998	4.7
145.02826	70.5
145.06516	1.6
146.03604	3.1
147.04398	24.9
149.02304	8.4
149.05974	12.3
151.03877	2.4
152.06207	1.4
158.59851	1.5
159.04482	1.3
160.05168	1.6
161.05965	18.7
162.06749	65.3
163.03961	2.2
163.07533	20.6
165.06917	1.5
167.08557	4.3
175.03889	11.0
175.07555	2.3
177.01837	5.3
177.05457	100.0
178.07693	1.4
179.03392	3.5
184.07362	1.3
186.05482	3.6
187.04033	1.5
187.07538	3.5
188.08302	1.6
189.01935	1.4
189.05434	4.2
193.04999	2.5
195.08055	10.5
205.04872	4.9
205.06435	5.6
207.08025	3.2
215.03516	2.3
219.06468	2.0
223.07541	7.8
231.06447	5.4
232.07243	4.2
233.06027	5.9
234.06596	1.7
237.05371	2.1
250.06294	2.1
251.06975	9.7
261.05597	2.0
263.07248	1.5
265.04926	4.0
279.06516	10.6
289.04770	1.6
307.05972	93.6
308.06607	1.7
311.09320	1.5
311.12665	1.6
337.10779	1.4
339.08612	64.8
340.09000	1.6
371.18372	1.3
391.08121	2.0
409.09122	6.5
420.08551	1.2
515.33594	1.3
533.34113	2.5
546.54395	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.3477
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10803	1.6
55.05494	4.9
56.05024	4.7
57.07067	3.9
58.99586	11.7
61.01131	2.5
65.40984	1.4
67.05499	13.8
69.07064	8.2
70.22083	8.4
74.00658	4.4
76.02220	26.3
76.03983	1.7
79.05476	5.1
81.07047	19.0
83.06084	1.9
83.08595	6.5
84.04514	8.5
84.70950	1.6
85.01070	1.8
86.00629	7.1
86.99046	6.2
87.02676	3.9
91.05462	3.3
93.07046	7.8
94.07339	1.9
95.08593	19.3
97.01144	2.3
97.10155	3.0
102.05522	3.6
105.07012	3.4
107.08559	4.8
109.10166	8.5
111.11701	2.7
112.03951	1.9
116.01668	22.8
119.08537	4.1
121.10131	5.3
123.11675	3.1
129.06593	4.0
130.04944	4.8
131.08522	2.3
132.06720	1.6
133.10133	3.6
135.11708	4.8
142.03224	3.2
143.02711	2.0
144.01105	9.7
145.10120	2.9
147.11702	3.0
149.13255	2.5
162.02167	15.7
163.11137	1.9
179.04842	9.1
194.17409	1.9
213.16631	1.7
215.17912	7.8
224.23729	6.3
225.22130	2.3
231.17459	2.5
233.05981	1.7
233.18999	9.2
256.20743	2.1
282.22522	12.8
300.23596	10.7
300.26474	1.9
306.20953	1.7
307.22653	3.2
325.23718	2.2
342.21136	3.2
385.25150	100.0
386.25043	2.4
402.78217	1.8
439.26007	3.5
457.27191	4.9
514.29376	2.6
532.30707	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	531.3676
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	6.6
55.01866	3.5
55.05506	30.4
57.03424	16.3
57.07056	7.7
61.16679	2.2
65.03927	2.0
67.05495	87.6
69.07059	18.3
69.28732	22.9
69.68337	2.2
71.04969	4.6
71.08595	2.4
72.09357	1.9
72.86039	2.1
73.06492	2.1
79.05484	95.7
80.05804	2.6
81.03414	9.8
81.07047	71.0
83.04968	12.9
83.08619	10.0
85.06525	4.1
87.04462	11.8
91.05471	68.1
93.07030	93.9
93.07622	4.5
95.04951	25.1
95.08592	45.8
97.06501	6.2
97.10118	4.5
98.21524	3.5
99.08072	2.9
105.04486	3.8
105.06371	3.5
105.07017	47.9
107.04925	8.6
107.08578	26.4
109.02966	2.0
109.06496	7.0
109.10147	14.8
111.08060	2.9
117.07001	13.1
119.08556	28.7
121.06476	2.6
121.10125	31.9
123.08045	6.8
123.11676	5.1
125.43810	2.1
129.07011	13.5
131.08569	12.5
133.10106	22.1
133.41026	2.1
135.11696	14.2
143.08554	8.7
145.10124	12.7
147.08043	2.8
147.11662	32.6
149.13202	6.1
157.10097	2.6
159.11678	12.2
161.09624	2.4
161.13239	7.8
171.11646	20.9
173.13312	6.3
189.12715	9.4
207.13777	23.7
215.17874	11.6
233.18939	7.2
281.17435	37.1
307.22656	73.7
339.45001	2.2
445.42627	2.5
513.35693	100.0
514.36035	3.1
531.38080	22.4
531.45642	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	530.2588
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56907	0.5
55.05499	0.7
56.04989	0.6
57.07052	1.1
67.05471	3.4
69.03416	0.9
69.07054	1.2
70.06573	4.3
70.68530	1.8
71.04980	6.2
72.08130	1.6
79.05476	1.6
81.03391	0.9
81.07053	3.5
84.04487	1.0
84.08105	1.4
85.02885	2.1
85.06528	10.3
85.92241	0.5
86.09680	2.8
88.14671	0.5
91.05467	7.6
93.07013	1.0
97.06499	0.9
105.07008	3.8
107.04938	1.1
107.08570	2.4
109.10140	4.3
110.07149	0.9
119.04915	14.9
120.08087	0.6
123.11703	1.2
127.03897	1.0
130.37964	0.5
133.10107	8.3
145.04915	0.9
147.04379	100.0
151.11143	8.4
165.05406	0.8
169.12219	7.0
177.05402	0.8
187.13260	17.7
259.30148	0.6
260.29111	0.6
264.84344	0.6
309.09796	1.2
333.16925	7.4
337.06909	1.0
338.07086	1.4
344.95325	0.6
371.59818	0.5
374.19305	0.6
437.84058	0.6
530.20062	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.1964
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90228	0.4
60.10187	0.4
69.67676	3.0
70.06557	0.6
73.21798	0.4
74.02416	0.6
85.01376	0.4
86.09708	0.5
91.05470	1.0
115.05452	1.4
117.05754	0.6
117.06984	0.7
118.06520	17.0
121.20292	0.4
124.47675	0.4
130.06528	1.8
132.08055	4.9
142.06519	1.4
143.07291	2.0
144.04456	0.5
144.06978	0.7
144.08066	10.8
146.05984	56.8
159.09164	5.4
160.07571	0.9
170.05972	4.4
177.14650	0.4
188.07034	100.0
189.07384	1.1
205.09691	47.9
409.48755	0.4
428.47165	0.4
446.85538	0.4
510.79285	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.31
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.4
55.01851	1.1
55.05503	82.8
57.07058	1.5
67.05489	5.9
69.07045	2.1
71.04458	2.5
71.04816	1.1
71.05009	0.9
75.04461	2.3
79.05466	3.4
81.07040	5.7
82.04620	1.1
83.04970	100.0
83.08599	1.1
91.05451	2.5
93.07030	4.5
95.04958	1.0
95.08585	3.4
103.05450	1.1
105.07000	3.1
109.10141	1.9
110.46658	1.1
117.06989	2.0
119.08579	1.8
123.11678	1.1
129.06979	1.6
141.06995	1.4
145.10114	2.3
147.11673	1.4
187.11537	1.0
195.00336	2.2
203.08488	1.6
205.45792	1.0
215.08398	1.3
217.10027	2.0
219.08092	2.3
229.10123	1.9
231.08087	2.3
235.07466	1.4
245.09700	2.2
247.07605	1.9
248.08319	1.6
249.09059	2.3
259.07401	1.9
259.11151	2.0
260.08417	2.4
261.09061	2.1
262.09677	1.6
263.07095	1.8
263.10623	1.4
269.09488	1.8
271.09665	1.4
273.08972	2.0
275.07117	1.9
275.10712	4.0
276.08011	1.4
276.11386	2.1
277.08511	2.2
287.10529	1.6
288.11365	1.8
289.08685	1.5
289.12119	2.2
290.09473	1.2
291.10077	3.8
292.07297	1.3
292.10712	2.3
293.08124	1.2
295.09610	2.6
297.11322	2.8
301.12115	2.3
305.11639	2.6
306.12415	3.0
307.09741	1.3
307.13104	2.0
309.11133	1.9
310.11832	1.4
315.13718	1.7
317.11615	1.6
319.09601	1.3
319.13037	1.7
321.11295	1.1
323.12625	1.7
331.13193	1.6
332.14053	2.4
333.14844	1.4
347.16846	1.4
349.14307	1.5
359.19876	1.5
360.20718	2.1
375.19272	1.8
376.20209	1.4
377.17236	1.6
391.22650	4.1
407.22189	4.4
408.22827	2.0
417.24176	4.2
431.18335	1.4
431.25494	1.4
433.23611	2.2
447.25174	3.3
448.26144	1.6
449.26730	2.7
457.27008	1.6
462.27802	1.6
475.24677	3.6
490.26865	3.1
515.27618	1.7
531.31012	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	530.2225
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75494	0.7
53.03936	4.6
55.01855	1.4
55.05496	1.0
57.03419	1.7
60.22806	0.6
61.02910	1.8
63.62291	0.6
67.05493	1.1
69.03417	11.3
69.48724	2.4
69.49152	3.2
70.06569	3.8
71.04975	4.9
72.08131	1.1
73.02914	3.8
79.05480	2.0
81.03399	10.4
81.07043	1.3
83.04951	1.0
84.08118	2.1
85.02891	57.9
85.06522	1.1
86.09697	1.4
87.04456	1.3
91.03962	0.7
91.05499	0.7
95.04931	1.6
97.02874	32.5
99.04436	36.7
103.03925	67.4
105.03377	19.8
105.07023	0.9
107.04939	1.5
109.02859	19.6
110.07153	0.9
115.03927	1.6
119.08575	0.9
123.04411	1.7
127.03895	100.0
128.04279	0.8
145.04938	64.1
163.05992	53.7
169.04953	2.5
184.31522	0.7
187.05923	3.6
189.09018	4.1
199.05945	0.7
205.07034	2.1
211.09642	1.0
217.06964	1.0
229.10899	0.9
253.07076	1.6
271.08090	17.1
271.11407	1.5
289.09109	11.7
307.10226	12.3
337.83609	0.7
351.62158	0.7
373.14722	2.1
529.74817	1.3
530.31775	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.2765
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65442	0.5
52.68779	0.5
70.06582	1.0
71.62937	0.9
81.07052	0.8
91.05477	1.2
93.06995	0.8
95.08620	0.8
105.07043	1.2
105.41747	0.6
108.05369	0.5
131.08571	0.6
177.05472	1.0
365.22937	8.3
370.14853	0.6
529.27667	100.0
530.28003	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.4358
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76540	0.2
55.05496	0.3
56.05027	0.4
57.03423	0.3
57.07062	0.3
67.05484	0.5
69.07057	0.5
71.24625	0.4
78.75396	0.2
81.07053	0.5
84.04494	5.3
85.02892	8.6
86.06062	1.0
87.04456	1.3
93.05758	0.3
93.07029	0.3
95.01319	0.9
95.08585	0.3
102.05520	4.2
106.06513	0.3
107.07324	0.7
112.03983	0.9
113.02364	0.9
118.06526	8.9
119.07327	0.4
120.08093	0.5
121.10118	0.3
130.04980	24.5
131.07271	0.4
132.08072	6.2
133.08835	1.5
134.09578	0.6
144.08069	0.8
146.09625	12.3
147.10207	0.3
152.77049	0.2
160.11192	1.6
174.12816	0.7
188.14310	0.9
202.15981	0.9
216.17519	0.4
226.68039	0.2
230.18965	0.4
244.20580	0.5
246.22165	0.8
258.22171	1.0
260.23785	0.3
263.14883	0.2
272.23639	0.8
274.25314	1.1
286.25214	0.7
400.39310	100.0
401.39621	2.7
426.40509	1.2
429.42432	0.4
440.38721	0.8
443.44244	0.4
470.39520	0.3
481.16898	0.3
512.40955	5.6
512.48163	0.2
529.43469	69.6
530.44110	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.4357
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05486	0.3
56.05018	0.4
57.03416	0.3
57.07065	0.3
59.73085	0.2
67.05497	0.3
69.03416	0.3
69.07053	0.3
70.14113	0.9
79.05470	0.3
81.07034	0.5
84.04489	6.0
85.02892	10.1
86.06051	0.6
87.04455	1.3
91.05466	0.4
93.05749	0.3
93.07017	0.4
93.15742	0.2
95.01321	0.9
95.08591	0.5
102.05527	4.2
106.06551	0.2
107.07289	0.5
112.03919	0.9
113.02345	1.1
118.06525	12.6
119.07280	0.3
120.08070	0.4
129.06978	0.3
130.04984	26.8
131.07286	0.6
132.08067	6.2
133.08844	1.9
134.09587	0.3
143.08510	0.2
144.08055	1.0
145.08771	0.3
146.09624	12.3
147.10388	0.2
158.09637	0.3
160.11188	2.0
172.11168	0.2
174.12785	0.7
188.14355	1.0
193.12064	0.2
202.15910	1.1
216.17540	0.6
230.19035	0.3
244.20589	0.5
246.22229	0.6
258.22079	1.2
260.23700	0.7
272.23663	1.7
274.25223	1.1
286.25327	0.5
288.26862	0.4
300.26663	0.2
400.39304	100.0
401.39618	3.0
426.40933	1.1
429.43634	0.2
440.38824	0.8
443.44388	0.3
470.40341	0.4
512.40912	5.3
529.43524	71.5
530.43829	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	528.4101
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97118	0.6
55.05508	3.6
57.07067	27.9
59.04983	0.7
59.73435	0.6
67.05496	1.5
69.07050	3.9
71.04973	0.7
71.08623	28.3
71.63541	1.3
73.06541	7.2
79.05457	1.1
81.03412	0.9
81.07049	1.8
83.08602	5.5
85.10168	23.0
85.50449	0.8
87.04449	5.6
89.06020	100.0
91.05491	1.1
91.07574	0.7
95.08588	1.3
96.29141	0.7
97.10151	2.7
99.11719	3.6
105.07025	1.0
107.07057	4.7
109.10133	1.3
117.09127	6.7
121.10125	0.7
130.08675	3.4
131.07042	1.7
133.08586	52.9
135.10123	1.0
141.16354	5.5
146.09647	0.7
161.11737	2.2
175.09657	1.4
177.11203	25.3
185.18993	6.0
221.13773	5.1
226.21698	2.3
229.21584	15.1
239.14903	2.7
265.16376	1.1
273.24142	7.6
283.17468	4.1
306.48917	0.7
311.01178	0.6
311.25830	8.1
327.20132	2.9
336.92868	0.7
371.22699	9.2
374.33914	1.5
379.30902	0.9
423.33304	1.7
467.35410	1.5
511.38312	20.7
512.38702	0.7
528.40271	3.9
528.47858	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	528.4767
Annotation	Unknow
Peak:m/z	Relative Intensity
53.87970	0.1
55.01842	0.1
55.05463	0.5
57.07042	0.2
59.04963	0.3
69.07062	0.7
70.81305	0.3
71.08586	0.1
73.02878	0.3
73.06513	0.4
87.04420	0.5
89.05994	0.2
94.06507	0.1
106.06493	0.2
107.07285	0.5
117.05664	0.2
118.06522	7.8
119.07227	0.2
120.08025	0.4
129.07018	0.2
130.06491	0.5
131.07231	0.5
132.08061	4.5
133.08859	1.1
144.08044	0.5
146.09624	8.2
147.10358	0.3
160.11209	1.3
174.12692	0.4
188.14331	0.7
188.67413	0.2
202.15851	0.9
216.17368	0.5
218.11850	0.2
230.19022	0.3
232.13275	1.4
244.20645	0.4
246.14890	0.9
246.22195	0.3
258.22104	0.6
260.16431	1.4
260.23703	0.4
272.23709	0.7
274.17926	0.3
274.25284	0.7
283.26251	0.4
286.25150	0.8
288.26794	0.6
292.33035	0.1
300.26865	0.4
302.20990	0.2
302.28040	0.2
414.40863	18.8
415.41461	0.3
428.42480	5.6
429.42288	0.2
440.42319	0.4
442.43930	1.8
528.47644	100.0
529.48065	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.4768
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41029	0.2
55.01858	0.2
55.05492	0.4
65.47533	0.2
67.05495	0.2
69.07059	1.4
71.29606	0.3
73.02905	0.4
73.06537	0.6
81.07043	0.2
83.14637	0.2
85.00103	0.2
86.14886	0.2
87.04444	0.4
89.06033	0.2
94.06509	0.2
107.07311	0.6
118.06525	6.7
119.07293	0.2
120.08101	0.4
129.06985	0.3
130.06502	0.5
131.07280	0.6
132.08069	4.9
133.08867	0.9
134.09650	0.5
137.41248	0.2
144.08063	0.4
146.09625	9.2
160.11209	2.1
174.12805	0.6
188.14301	0.7
202.15868	0.9
216.17459	0.7
230.19199	0.2
232.13286	1.2
244.20702	0.4
246.14856	1.5
246.22188	0.5
247.15732	0.2
258.22153	0.9
260.16403	2.2
260.23694	0.6
272.23660	0.9
274.25220	0.6
283.26340	0.6
286.25284	0.8
288.26898	0.4
302.20926	0.3
314.28278	0.2
414.40897	24.2
415.41092	0.2
440.42429	0.6
442.43906	1.2
452.96475	0.2
528.47662	100.0
529.48236	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.3161
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45889	0.1
53.34366	0.1
55.05500	0.5
57.03409	0.2
57.07048	0.3
67.05478	0.3
69.07059	0.7
69.91861	0.4
71.08616	0.2
79.05457	0.3
81.07028	0.3
83.08610	0.6
91.05500	0.2
93.07031	0.3
94.04046	0.5
95.08581	0.2
97.10139	0.4
98.98431	0.1
99.08096	0.2
99.85615	0.1
107.08585	0.2
111.11693	0.1
119.03531	1.0
121.10117	0.1
135.11633	0.1
136.06158	100.0
137.04573	0.8
137.06506	0.4
155.64093	0.1
177.05478	0.1
268.10419	0.2
276.96158	0.1
295.82080	0.1
311.25751	3.5
351.29623	0.1
528.31677	11.7
528.47894	0.4
529.32068	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.9
55.01873	3.3
55.05509	3.0
56.05027	2.3
67.05505	3.8
68.05035	2.4
69.07049	2.9
70.06590	14.8
70.59400	1.7
71.62753	2.0
72.08144	6.9
74.06069	4.4
74.09713	36.6
80.05000	1.9
81.07053	4.4
83.08614	1.8
84.04500	3.9
84.08119	8.0
85.02895	2.4
86.09705	7.9
90.34482	1.7
91.05476	2.8
91.71152	1.8
93.07023	2.5
95.08643	1.6
96.08126	3.5
97.02880	1.6
97.06532	1.5
105.07027	2.6
105.12187	1.8
108.08167	1.9
110.06043	3.7
110.07182	1.9
120.08106	5.9
121.10223	2.1
122.09740	1.8
124.07581	46.0
125.08324	3.8
126.09147	37.1
129.10208	2.4
130.06508	1.8
131.08458	1.6
144.08061	3.2
145.07533	2.7
146.06032	1.7
146.09563	2.8
147.08035	3.1
148.07501	2.0
150.09177	2.8
158.08420	5.1
162.05455	1.9
164.10696	15.1
166.08640	3.4
171.09163	4.8
172.07671	2.0
173.07080	2.9
174.07828	2.0
174.09196	4.9
176.10736	3.1
180.10205	2.9
184.06110	2.0
184.07571	2.9
185.07117	4.8
186.07860	3.6
187.08711	2.6
189.06561	1.9
189.10190	2.9
191.00119	1.9
192.10176	26.9
199.08646	11.4
200.07156	2.7
200.09363	3.3
201.06581	9.6
201.10229	6.2
203.08148	4.4
203.11935	2.9
209.07002	2.5
211.08716	4.5
213.06659	3.8
213.10144	4.0
214.07297	2.2
215.04570	2.3
215.08121	3.8
217.09836	8.5
221.07999	2.2
227.08139	9.7
229.06133	6.6
229.09708	9.2
230.06819	3.3
231.07672	5.0
231.11317	3.8
239.08243	2.8
241.06021	2.7
241.09708	10.0
243.07620	5.7
243.11398	2.5
245.09317	10.1
246.09921	2.2
255.07617	14.3
256.08380	9.3
257.05603	7.9
257.09186	84.0
258.09732	2.0
259.07138	3.7
259.10858	4.7
267.07761	3.1
269.09235	8.5
271.07150	2.2
271.14023	2.2
273.08679	24.0
274.09531	5.0
275.12805	1.8
279.11111	2.3
283.07150	31.8
284.07706	4.7
285.08664	40.9
286.09277	9.6
287.10226	41.7
287.13455	2.5
289.08340	4.0
293.13745	3.6
297.08771	8.7
297.12128	2.1
298.09207	3.4
299.10330	12.7
301.08234	22.7
301.11600	3.2
303.09564	9.7
305.07645	5.3
311.06436	1.7
315.09711	20.0
325.08215	5.9
327.09787	13.5
329.07629	22.2
329.11346	15.3
330.08472	1.9
343.09213	14.8
351.13272	20.8
355.09052	2.3
361.13928	5.6
363.13046	2.5
381.14059	2.0
387.12036	2.8
394.17664	2.1
422.17062	11.5
423.11853	8.5
424.18597	9.3
440.18088	4.5
450.16367	17.0
452.18134	67.3
454.19766	54.2
464.17725	3.0
468.17700	16.7
478.16019	11.7
482.19193	32.1
492.17560	2.1
496.17105	100.0
497.17139	3.4
510.18655	34.6
514.18213	21.4
528.18988	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	528.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	1.3
55.01846	1.8
55.05496	1.7
56.05010	1.9
57.03420	1.2
67.05486	3.5
69.03403	2.4
69.07063	1.6
70.06579	26.0
71.04968	2.0
71.62987	1.4
72.08145	5.5
79.05486	3.3
80.04993	2.2
81.03406	3.0
82.06549	3.1
84.04494	1.9
84.08129	6.5
85.02889	4.7
86.09679	11.0
87.90689	1.1
91.05464	5.3
93.07030	11.6
94.06563	9.6
95.07338	11.2
95.08596	2.8
96.08116	26.2
97.02884	1.9
97.06525	2.5
99.04440	1.2
102.05504	1.6
103.05457	1.3
103.30434	1.2
107.04942	2.6
108.04462	1.9
108.08094	14.4
109.02878	1.9
109.08839	2.7
109.10157	1.5
110.07156	2.8
110.09664	50.2
116.07093	1.7
118.22478	1.1
120.07225	1.8
120.08085	37.0
121.06473	1.6
122.06036	1.6
123.04422	1.2
123.06725	1.9
124.07610	3.1
127.03898	3.3
129.10190	3.7
136.07591	8.3
138.05484	6.2
138.09117	57.5
145.06464	2.1
146.05972	3.1
147.08009	1.3
148.07530	15.2
150.06314	1.4
154.08604	1.7
155.08107	1.2
157.13351	1.1
161.05988	1.6
162.06335	1.1
163.03931	2.2
166.04904	2.8
166.08614	100.0
167.09085	2.2
169.13292	1.3
173.05917	4.2
174.06339	2.3
186.11357	1.3
189.05482	7.3
190.05785	5.1
191.07019	1.8
192.07422	1.1
201.05411	4.6
202.05789	4.8
203.07086	1.5
207.06491	11.1
208.06841	8.5
211.08650	2.7
212.09338	1.5
213.10243	5.4
215.10611	4.2
215.13829	1.8
216.10989	4.7
219.06474	4.2
220.06841	9.3
222.08571	1.2
224.09251	1.3
225.10197	3.8
226.09195	1.7
227.11743	3.1
228.33394	1.3
237.10220	2.5
239.11693	7.9
240.08792	2.8
241.09700	4.4
242.10387	1.8
243.10051	8.5
244.10484	13.1
252.08696	1.2
253.09724	5.2
254.10431	3.1
255.11258	5.6
257.12851	1.6
261.11218	22.8
262.11505	41.5
265.09769	2.4
267.11215	8.1
268.12106	2.7
269.12772	1.8
279.12222	9.9
280.12585	18.0
281.09091	1.7
283.10739	8.7
285.12253	6.9
293.09161	1.8
295.10745	12.5
301.08350	2.6
301.11786	46.8
303.04962	4.2
311.10135	2.7
313.11755	50.9
327.09683	6.4
339.09659	3.6
366.22818	3.1
371.70108	1.1
420.19095	2.0
432.15179	1.3
438.20038	3.2
443.13785	1.9
446.16098	1.3
448.18640	8.5
464.18033	5.1
466.19696	88.3
467.19934	3.1
478.16080	2.3
492.17508	13.3
510.17691	2.4
528.18530	4.3
528.28137	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	527.1748
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45033	0.3
53.03930	0.5
55.01867	0.6
55.05511	0.3
56.18518	0.3
57.03419	0.8
61.02901	0.5
67.05486	0.4
68.99770	0.6
69.03418	4.7
70.06557	1.2
71.04961	1.4
71.63177	0.4
73.02916	0.6
79.05460	0.6
81.03407	3.5
81.07037	1.2
84.08131	0.6
85.02893	8.5
85.06518	0.5
86.09668	0.8
87.00817	2.6
87.52939	0.4
91.05447	0.8
97.02857	1.6
99.04429	1.2
105.01864	2.2
105.02448	0.3
105.07008	0.6
107.08561	0.6
109.02885	2.1
109.06490	0.7
110.07137	0.5
117.06984	0.8
121.06471	0.5
127.03898	4.6
129.01839	0.5
137.05917	1.3
145.04938	1.4
145.06459	1.9
147.04420	0.6
147.07970	1.0
159.02885	1.1
159.08018	0.8
161.05960	1.1
163.03897	1.3
163.07617	0.5
165.56482	0.3
169.10103	0.4
173.05956	6.3
173.09584	0.5
175.07648	0.7
179.06963	1.5
179.08517	0.8
181.69041	0.3
187.07536	0.5
187.11154	0.7
189.03902	0.5
189.05440	4.1
189.09027	1.1
191.06990	3.0
191.10608	0.4
197.09637	1.9
200.55028	0.4
201.05423	6.2
201.09065	0.3
205.08606	1.0
207.06508	8.2
215.10634	5.1
217.12083	1.8
219.06474	5.7
225.09050	3.4
228.07782	1.3
231.04961	1.1
231.10210	0.7
233.11679	3.1
243.10124	11.0
249.11256	0.9
261.11176	21.9
279.12225	100.0
280.12503	1.2
330.32175	0.4
480.94894	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.1751
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.3
55.01875	0.7
55.05520	0.2
57.03423	0.6
59.24093	0.2
60.28408	0.2
61.02909	0.5
69.03416	4.3
70.21430	0.4
70.21827	0.5
71.04991	0.5
73.02908	0.4
79.05515	0.2
81.03407	2.0
81.07072	0.3
85.02890	6.8
87.00811	2.8
91.05492	0.4
97.02876	1.4
99.04459	0.8
105.01844	3.2
105.07040	0.2
107.04951	0.3
109.02861	1.8
109.06487	0.5
117.07008	1.1
117.07714	0.2
118.07374	0.2
119.08616	0.2
121.06493	0.7
125.45662	0.2
127.03903	4.2
129.01830	0.3
129.06990	0.2
131.04887	0.2
132.05696	0.2
135.04419	0.3
137.05966	1.9
141.06989	0.2
145.04965	1.1
145.06474	5.3
147.02734	0.3
147.03264	0.2
147.04395	1.8
147.08023	3.0
149.05931	0.8
159.02884	0.8
159.04408	0.3
159.08058	0.6
160.05180	0.2
161.05959	1.5
161.09575	0.3
162.79619	0.2
163.07530	0.7
169.10130	0.7
173.05956	11.5
173.09621	0.6
174.06561	0.3
175.07567	1.5
176.08252	0.3
176.64429	0.2
179.07074	1.1
179.08429	0.3
182.07288	0.2
183.08060	0.2
187.07541	0.7
187.11172	1.4
189.03947	0.3
189.05443	3.9
189.09056	1.6
189.12694	0.3
191.03362	0.2
191.06999	5.0
191.10692	0.4
197.09583	1.8
200.08292	0.5
201.05435	14.2
201.09142	0.7
202.05798	0.4
205.12227	0.4
207.06456	2.0
213.05440	0.5
215.07243	0.4
215.10649	8.4
216.11070	0.2
217.12190	2.6
219.06485	11.3
225.09055	2.4
228.07742	1.6
231.04956	1.0
233.11681	4.0
243.10127	17.0
244.10469	0.5
259.09564	0.4
261.11182	23.2
262.11563	0.5
279.12222	100.0
280.12573	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	527.1751
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	0.5
55.01854	0.6
55.05495	0.3
57.03408	0.5
60.03970	0.2
61.02868	0.3
67.05486	0.3
67.47134	0.3
69.03420	3.4
70.06587	1.6
71.04962	0.8
71.63150	0.2
72.08106	0.5
73.02902	0.5
79.05465	0.3
81.03403	2.4
84.04460	0.3
84.08104	1.0
85.02492	0.3
85.02892	3.1
86.09701	1.6
87.00812	1.7
91.05458	0.6
97.02860	1.2
99.04403	0.9
102.05532	0.3
103.05462	0.3
105.01844	1.1
105.06992	0.8
107.04931	0.5
109.02874	2.6
115.05379	0.5
117.01813	0.4
117.06967	0.7
120.08051	0.8
120.76235	0.2
121.06477	0.7
127.03890	3.5
129.01813	0.3
129.07019	0.4
129.10211	0.5
131.04874	0.3
133.06477	0.4
135.04355	0.6
136.07582	0.3
141.07210	0.3
145.04932	1.3
145.06450	7.3
147.04407	1.7
147.08046	1.4
149.05962	0.8
157.06439	0.3
159.02893	1.5
159.04109	0.2
159.08018	0.6
161.05959	3.7
163.03847	1.1
163.07484	1.1
166.08643	0.4
169.10060	0.7
171.08018	0.5
173.05956	9.6
173.09421	0.4
175.07542	1.0
177.05357	0.5
179.08495	0.8
181.06375	0.4
182.07213	0.3
185.06007	0.5
187.07379	0.6
187.11069	1.3
189.05429	13.5
189.09006	1.4
189.12686	0.3
191.03360	0.5
191.06995	5.8
197.09569	2.1
199.07483	1.5
200.08127	0.3
201.05437	13.4
201.09070	0.8
203.06970	1.3
205.12175	0.7
207.06493	34.6
208.06808	0.5
213.05498	0.4
215.07222	0.5
215.10640	11.0
217.08580	1.6
217.12212	1.0
219.06490	21.7
221.08047	1.9
225.09067	4.4
228.07712	1.9
231.04803	0.6
233.08096	0.6
233.11676	2.4
243.10132	34.1
261.11176	100.0
262.11478	1.4
264.11877	0.3
279.12231	44.7
280.12613	0.6
313.11694	0.3
343.75400	0.3
448.21872	0.3
466.19489	0.4
509.16547	2.8
527.17554	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	526.4306
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	3.4
57.07069	29.4
58.31466	0.7
67.05508	1.5
69.07049	3.2
69.33142	0.8
69.33469	10.7
71.04997	1.0
71.08620	29.1
73.06551	4.6
74.98979	0.8
79.29480	1.0
81.07061	1.5
83.08599	3.3
85.10170	14.6
87.04454	3.5
89.06018	100.0
91.07565	1.0
95.08604	1.9
97.10157	3.0
99.11727	2.4
105.07024	1.5
107.07060	4.3
111.11691	2.0
113.13288	1.9
116.82651	1.0
117.09098	4.5
121.22836	0.9
125.13268	1.2
130.08601	5.6
133.08586	59.4
140.21651	0.9
162.43440	1.0
177.11198	23.8
183.21088	3.1
205.14597	1.0
221.13800	4.2
227.23648	2.0
230.83934	0.9
231.96216	0.9
239.14861	5.2
271.26270	7.6
283.17471	3.4
315.28897	4.8
327.16214	1.6
327.20099	27.7
332.33231	1.1
421.34863	1.0
465.38068	1.0
482.39899	4.6
509.40430	20.1
509.47498	0.7
526.42322	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	526.3366
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76227	0.3
55.05496	2.6
56.05024	2.9
57.07055	0.5
58.06571	1.1
58.79204	0.3
63.33607	0.3
67.05470	1.1
69.07059	2.4
69.94513	0.7
69.94925	1.0
70.06571	1.7
72.08144	0.3
74.06068	6.1
74.89129	0.3
81.03356	0.3
81.07046	0.7
82.07276	0.3
83.08613	1.9
84.08105	1.3
85.02885	0.6
86.09634	0.3
88.07603	0.3
93.06944	0.3
95.04921	0.5
95.08597	0.6
97.02872	0.5
97.06492	0.6
97.10139	0.7
98.09667	0.5
98.21455	0.6
101.56611	0.3
107.04910	1.1
107.08611	0.4
107.49536	0.3
109.02927	0.5
110.07130	0.7
120.08081	0.3
121.06448	0.3
127.03909	0.5
128.50816	0.2
137.09544	0.8
149.05971	0.5
156.17447	0.7
165.09085	0.7
178.91998	0.3
182.19038	1.2
200.20062	100.0
201.20435	1.4
208.15274	0.3
233.11646	0.6
259.01373	0.4
393.59238	0.3
526.33691	14.5
535.09052	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.3888
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58498	1.0
55.05505	2.9
57.07063	2.0
59.10814	1.1
63.23753	1.0
67.05487	2.7
69.07053	6.0
71.08610	0.9
71.45410	0.9
71.63629	1.7
81.07028	3.6
83.08618	2.3
87.04461	1.2
89.06032	12.4
95.08618	2.5
109.06516	1.8
113.61386	1.0
129.07018	1.9
130.08591	1.2
133.08603	8.2
136.50473	1.0
159.08023	2.4
161.05984	6.5
165.12752	1.6
175.07552	3.0
177.11214	4.0
185.05945	9.2
187.07536	8.0
189.09052	1.3
198.06773	1.3
199.04103	1.0
199.07524	6.4
200.04663	8.8
201.05434	5.1
201.09210	1.6
203.07021	3.7
210.06705	1.2
211.07568	1.8
213.05505	1.3
213.09171	2.5
214.06255	7.0
215.07005	50.7
217.04968	1.9
225.09045	6.6
227.10677	3.3
229.08621	2.8
237.09215	1.6
239.10654	2.0
241.08586	3.5
242.19003	1.5
243.06506	10.6
243.10313	1.2
245.08086	1.9
251.10657	1.1
255.10164	1.2
257.08069	20.2
269.11795	3.2
281.11652	1.3
286.21686	4.1
309.18396	5.3
318.90927	0.9
327.19861	17.3
343.22647	3.0
351.19327	5.2
361.07422	1.0
369.20572	100.0
370.20917	2.9
417.77924	1.0
526.38940	2.1
526.50104	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	526.4095
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76754	2.3
55.01847	2.8
55.05508	15.3
57.03429	13.4
57.07061	5.1
67.05492	100.0
69.07059	15.8
70.94121	4.8
70.94475	3.1
71.08624	4.9
79.05487	10.9
81.07047	39.7
83.08607	13.9
87.04417	2.5
89.06014	33.3
91.05462	10.1
93.07032	9.7
95.08587	32.8
97.06470	3.4
97.10134	4.1
105.07008	4.8
107.08585	7.0
109.10139	79.8
111.08082	4.0
112.21864	2.4
119.08595	7.6
121.10130	5.6
123.11688	3.6
133.08597	25.3
133.10092	4.4
135.11682	5.0
137.09608	3.6
155.10681	3.3
173.11703	25.9
177.11285	5.6
229.14314	96.3
242.19016	4.3
263.23782	3.7
286.21561	26.0
314.24832	4.6
327.20135	27.1
337.27304	85.6
450.91519	2.4
491.37292	71.1
526.49878	94.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.2664
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73506	0.3
55.05499	0.3
67.05482	0.3
67.30315	0.3
70.06565	0.3
71.63387	0.4
72.08136	0.3
79.05518	0.3
79.82709	0.3
83.34051	0.3
84.08128	0.5
121.06487	0.8
143.87819	0.3
186.64030	0.3
203.05159	0.8
259.07849	0.7
345.20389	0.4
363.21552	1.3
525.26636	100.0
526.26874	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	525.3627
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67340	1.8
55.01857	3.2
55.05509	14.5
57.03427	2.6
57.07072	10.1
59.04990	2.1
63.52345	1.6
67.05501	19.2
69.03419	5.9
69.07055	43.5
70.06565	12.2
70.15691	9.7
71.04979	5.4
71.08605	6.9
72.08134	3.9
73.02901	2.1
79.05485	15.0
79.05869	2.5
81.03412	5.1
81.07039	100.0
82.07382	2.5
83.08614	18.8
84.08119	4.5
85.02897	10.8
85.06525	9.9
86.09672	6.8
87.04440	1.9
88.03947	2.1
91.05455	7.4
93.07022	29.1
95.04958	3.6
95.08589	75.9
97.06527	11.8
97.10148	7.4
99.08090	5.8
105.07008	16.6
107.08572	33.0
109.02828	4.9
109.06475	3.4
109.10137	46.3
109.10895	2.3
111.08060	15.4
111.11700	9.0
113.09592	2.7
119.08585	9.0
120.08099	3.6
121.10129	22.5
123.11689	45.8
124.60722	1.8
125.09621	4.1
125.13255	5.0
127.03882	3.6
129.10258	2.2
133.10107	5.4
135.11670	19.9
137.13240	29.8
139.11186	4.2
147.11693	9.5
149.13229	22.5
150.74529	1.8
151.11124	3.3
151.14818	6.3
153.12726	20.7
155.14281	7.0
161.13167	3.6
163.14745	10.2
165.12723	11.6
165.16394	2.2
167.14284	4.3
171.13800	7.1
175.14806	4.1
177.16368	7.7
183.13760	6.1
184.87245	2.1
191.17886	5.8
201.14836	3.6
203.07031	2.6
203.17990	4.1
205.19376	2.8
217.19453	4.5
218.21075	2.6
219.06404	3.1
235.20461	2.5
253.21889	2.1
259.09592	3.5
261.25687	2.3
273.25690	15.0
277.10733	5.7
279.26819	7.4
291.26801	41.7
297.27850	10.4
309.27866	34.5
327.13266	2.2
327.28848	30.8
345.29785	2.2
482.22598	5.5
503.06204	2.3
521.30676	2.2
525.23267	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	525.2174
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11369	0.7
52.83218	0.8
53.03924	2.3
55.01861	1.5
55.05484	2.0
57.03415	1.2
67.05165	1.4
67.05498	21.0
69.03403	3.3
69.07063	2.2
70.06578	13.2
71.04971	1.9
71.57375	1.2
71.57749	1.0
72.08135	3.0
79.05479	1.9
81.03405	37.3
81.07039	11.1
84.04478	2.9
84.08131	6.4
85.02882	2.2
86.09689	11.7
87.10029	2.4
88.03983	1.3
91.05465	2.2
93.07030	3.6
93.76141	0.7
95.04942	3.7
95.08590	7.9
97.02861	1.1
97.06472	1.0
98.97557	2.1
99.04430	5.5
99.08073	1.6
101.34303	0.8
102.05505	1.9
107.04890	0.8
107.08566	1.1
109.02865	43.2
109.06483	1.2
109.10139	59.0
115.08633	1.2
116.98620	1.0
119.08573	3.6
120.08078	1.5
121.10094	1.7
125.05959	6.4
127.03895	4.7
129.10226	4.3
130.04944	1.2
133.06056	1.8
134.99644	0.9
136.07544	4.6
137.09593	100.0
141.10158	0.9
144.08049	2.1
145.04959	1.3
147.08011	1.3
155.10635	18.3
155.11787	4.3
165.09090	60.4
169.09746	1.2
177.00661	0.8
183.10089	10.3
201.11182	32.0
219.12230	1.0
237.02827	1.3
246.14377	1.4
251.10274	1.8
252.10446	2.2
279.09824	2.2
280.10141	2.6
291.12415	1.5
309.13278	6.1
321.05811	0.8
327.14337	55.9
328.14609	1.0
335.10275	1.0
345.15393	20.1
363.16492	3.7
381.10645	3.2
393.18665	0.9
489.19421	1.5
507.20715	4.8
525.16406	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.2452
Annotation	Unknow
Peak:m/z	Relative Intensity
57.46127	1.2
62.31662	1.3
68.73721	1.2
70.78751	4.4
71.13903	1.2
72.54652	1.3
81.07059	1.9
107.12430	1.5
126.02901	1.1
147.04420	2.3
147.08176	1.4
147.18015	1.2
164.41019	1.6
177.52177	1.4
215.80090	1.5
247.07716	1.4
249.75841	1.5
307.15891	1.7
326.23935	1.7
345.89673	1.3
460.23672	1.4
525.24530	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.2665
Annotation	Ser Gln Tyr Lys
Peak:m/z	Relative Intensity
55.05505	0.6
64.66203	0.3
67.05495	0.7
69.57038	2.4
70.06580	0.6
73.19414	0.3
73.87897	0.3
79.05479	0.8
81.07025	0.8
83.01089	1.0
84.08120	0.6
86.09705	0.4
91.05491	0.5
92.11579	0.3
93.07030	0.8
95.01093	0.3
95.04931	0.3
95.08610	0.6
97.10155	0.3
105.07027	0.3
107.08595	0.4
109.10149	0.4
109.82995	0.3
110.07143	0.4
118.77099	0.3
119.08533	0.4
121.10141	0.6
133.10191	0.4
135.72456	0.3
145.10118	0.4
156.03796	0.4
185.04227	1.2
201.03622	0.6
203.05240	1.5
212.19241	0.3
259.07925	1.3
272.02673	0.3
315.29166	0.4
325.44586	0.3
331.06256	0.5
331.09970	5.4
345.11649	0.5
363.21478	0.9
373.14557	0.7
387.16217	1.4
427.19543	0.7
455.18906	1.9
469.34018	0.3
484.41757	0.3
507.25699	0.6
521.26764	0.4
525.26648	100.0
526.27026	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	524.3705
Annotation	2-octadecanoyl-sn-glycero-3-phosphocholine
Peak:m/z	Relative Intensity
55.05495	0.4
56.05029	1.1
57.03421	0.5
57.06816	0.3
57.07073	3.2
58.06565	1.2
59.07374	0.3
60.08155	16.2
67.05494	0.4
69.07053	0.6
69.94423	0.8
69.94831	0.6
70.06587	0.4
71.07365	6.9
71.08615	1.9
81.07051	0.8
83.08617	0.4
85.10169	1.2
86.09694	49.6
86.94984	0.2
95.08609	1.0
97.10139	0.4
98.21377	0.3
98.98459	3.3
101.07162	0.2
104.10730	100.0
105.11036	0.3
109.10158	0.3
124.99990	28.0
143.01059	0.3
163.01598	0.6
184.07320	97.4
186.33878	0.2
258.11069	0.9
341.30698	1.6
447.28912	0.3
506.35977	9.2
524.37067	43.2
525.37299	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.2695
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	1.5
57.03427	1.2
57.07063	0.6
67.05489	8.0
68.05808	0.5
69.03412	3.9
69.07053	4.5
70.02091	1.8
70.06575	0.9
71.04974	0.6
71.08632	0.8
79.05476	7.4
81.03375	0.4
81.07039	22.3
82.07362	1.2
82.17512	0.5
83.04955	0.6
83.08611	2.4
84.08130	0.6
85.02884	3.8
86.09705	1.1
87.04468	2.5
91.05455	1.9
93.06454	0.9
93.07026	14.2
94.07350	0.8
95.04931	0.6
95.08591	9.2
96.08940	0.7
97.02879	2.8
97.06484	0.8
99.08047	0.6
105.07025	1.3
105.72103	0.5
107.08572	12.0
108.08852	0.5
109.06494	0.5
109.10128	2.8
110.09675	1.0
111.04428	0.6
111.08036	1.0
115.03907	2.0
117.07039	0.7
119.08604	1.1
120.08086	0.7
121.10124	6.2
123.11682	1.9
124.12011	0.6
125.05965	1.4
133.04945	2.3
135.11673	1.1
136.07542	0.5
138.09100	1.0
139.07492	0.9
146.06003	0.6
149.13229	69.7
150.13550	1.4
151.11206	0.9
151.14787	2.0
152.82318	0.5
159.11624	3.0
164.15157	0.5
166.08585	2.1
167.14272	0.6
177.12708	11.7
195.13763	34.0
213.14809	100.0
214.15189	1.4
290.25433	1.0
308.26526	1.5
327.13223	0.7
435.61829	0.5
506.19089	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.3549
Annotation	2-Oleoyl-sn-glycero-3-phosphocholine
Peak:m/z	Relative Intensity
55.05490	1.5
56.05016	1.2
57.07064	0.8
58.06586	1.1
60.08155	15.8
67.05486	1.3
69.07062	2.6
69.49792	2.6
69.50119	0.5
70.56061	0.3
71.07362	6.8
71.08614	0.4
79.05473	0.8
79.84121	0.3
81.07043	1.0
83.08601	1.1
86.09693	49.7
87.10027	0.6
93.07007	0.4
95.08606	0.9
97.10157	0.4
98.98456	3.0
104.10727	96.8
105.11050	0.8
109.10117	0.7
116.04884	0.3
121.10117	0.6
124.99985	28.9
125.86700	0.3
135.11652	0.5
161.49803	0.3
163.01439	0.4
178.33878	0.3
184.07310	100.0
185.07776	0.5
245.48677	0.3
258.11002	0.8
339.28891	1.2
385.54129	0.3
445.27213	0.4
496.59235	0.3
504.34464	9.7
505.34637	0.5
522.35486	43.9
523.35828	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	523.347
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31186	1.4
53.03941	2.2
53.17486	1.3
53.23727	1.8
55.05500	17.1
57.07058	6.2
57.93261	1.4
65.03927	2.0
67.05496	27.9
69.03417	4.9
69.07054	33.6
69.99107	9.3
70.06572	4.2
71.04979	5.2
71.08619	2.5
73.84418	1.5
79.05482	20.5
80.00498	1.6
81.07045	100.0
83.04968	3.5
83.08611	11.1
84.08119	2.4
85.02892	7.2
85.06516	5.5
86.09663	2.2
87.00809	1.7
91.05473	16.4
93.07029	53.8
95.04929	8.3
95.08589	78.1
97.06519	5.4
97.10168	7.8
99.08075	4.2
105.01842	2.0
105.07012	26.2
107.08575	42.5
109.02843	1.9
109.06513	5.2
109.10133	49.9
110.10516	1.8
111.08064	9.6
111.11705	5.0
117.07002	3.3
119.08567	21.6
121.10128	34.8
123.08075	5.7
123.11690	34.6
125.09593	3.1
127.03852	2.4
127.11127	2.3
129.06947	1.4
131.08562	7.3
133.10115	29.4
135.08049	1.8
135.11676	20.2
137.09602	8.9
137.13235	14.3
139.11157	7.8
141.12724	1.7
145.04938	2.5
145.10094	12.6
147.11681	13.0
149.09613	1.7
149.13242	20.5
151.11200	10.0
153.12729	5.7
155.10617	6.4
157.12219	2.3
159.11678	16.2
161.13216	10.7
163.14833	9.5
165.12732	4.9
169.12184	3.8
173.13246	9.6
175.14790	9.8
177.16365	6.5
181.12222	5.4
187.14801	6.0
189.16333	7.7
191.17827	2.7
201.16415	3.0
203.17961	9.8
205.19548	3.0
207.17354	2.5
215.17911	32.9
215.19867	2.3
221.19022	7.1
222.19353	1.9
233.18956	19.2
239.19957	2.5
245.22673	2.7
251.20032	37.6
269.21017	3.8
271.24203	9.9
277.25137	9.0
280.09665	1.8
289.25238	28.9
295.26254	5.7
307.26266	47.0
325.27341	10.8
343.28351	5.9
480.21201	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	522.3545
Annotation	Unknow
Peak:m/z	Relative Intensity
53.38350	0.2
55.05495	0.3
55.92835	0.2
56.05030	0.5
58.06622	0.3
60.08153	5.0
61.33899	0.2
69.07037	0.2
69.48337	1.4
71.07011	0.3
71.07362	2.2
80.70184	0.2
83.08604	0.2
86.09689	26.6
87.10057	0.2
94.52166	0.2
95.08617	0.3
95.60181	0.2
97.12697	0.2
98.98455	2.4
104.10725	2.4
113.58603	0.2
121.06475	0.4
124.99983	17.5
128.98633	0.2
138.29405	0.2
143.00992	0.3
151.66393	0.2
178.93826	0.2
184.07304	100.0
185.07649	0.8
191.10608	0.6
339.28769	0.2
350.26294	0.2
504.34485	1.4
522.35425	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	522.2815
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37461	0.5
53.03931	1.0
55.01851	0.7
55.05260	0.7
55.05500	9.9
57.03427	5.9
57.07051	1.4
60.04497	0.6
65.03915	0.8
67.05492	22.2
67.62886	0.5
69.07054	13.5
69.58520	2.8
69.58925	1.0
71.08595	0.9
77.14620	0.5
79.05052	0.5
79.05474	5.4
81.07039	21.1
83.04958	0.5
83.08601	6.3
83.83956	0.5
85.06532	0.6
86.09686	1.5
88.03979	6.2
91.05465	4.8
93.07028	6.1
95.08588	17.0
96.65305	0.5
96.67001	0.4
97.06484	1.0
97.10143	3.7
98.98440	3.8
104.10700	0.6
105.02493	0.5
105.07010	3.0
106.04996	1.3
107.08591	3.6
109.06442	0.6
109.10136	5.9
111.11662	0.5
119.08530	2.7
121.10110	2.2
123.07974	0.6
123.11687	1.5
124.99960	0.7
133.10083	2.1
135.11627	1.2
137.13217	0.6
147.11633	1.3
149.13150	1.0
155.01036	0.6
161.13187	0.6
163.44643	0.5
173.02002	0.7
175.14798	0.9
184.07310	3.7
185.07614	1.6
186.07762	1.5
256.00330	0.5
260.05273	0.7
263.23630	1.4
330.46136	0.5
337.27301	100.0
338.27649	3.0
350.26907	2.0
392.74234	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.4307
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47273	0.8
52.31824	0.8
55.05501	4.2
55.36981	0.9
56.05014	1.4
56.70261	0.8
57.03423	1.5
57.07069	5.8
59.50330	0.9
60.05286	0.9
67.05495	7.3
68.05013	2.5
69.03416	1.1
69.07063	6.7
70.06599	0.9
71.08617	3.4
71.63459	1.4
79.05491	6.2
80.04998	1.6
81.03400	1.9
81.07052	10.8
82.06591	1.8
83.04968	0.9
83.08618	4.2
83.40669	0.8
84.04498	9.7
85.02896	11.3
85.10165	2.1
86.06054	5.0
86.09670	1.3
91.05473	3.7
93.07027	7.6
94.06549	1.9
95.04939	1.1
95.07359	1.3
95.08618	8.2
96.04467	1.1
96.08127	3.6
97.06544	1.1
97.10163	1.9
98.06062	1.7
102.05520	5.7
105.07033	2.4
106.06588	1.0
107.04973	1.1
107.08573	4.7
108.08126	2.0
109.06467	1.0
109.10143	4.5
110.19389	0.8
114.05508	1.6
117.07026	1.0
119.08540	1.2
121.10130	3.8
122.09646	1.8
123.11694	1.3
124.99989	0.9
130.04990	33.6
130.05930	2.0
134.16289	0.8
135.11719	1.9
147.11720	1.3
169.32249	0.9
169.63388	0.8
184.07384	2.7
187.19829	0.9
192.17462	47.8
194.19119	2.6
206.19096	3.0
209.11681	0.8
218.18941	1.6
220.20567	15.5
222.22253	2.5
234.22099	5.5
236.23763	1.8
248.23750	3.9
250.25247	1.0
281.01492	1.1
312.04837	1.0
341.30563	2.7
346.34641	19.0
348.36206	70.5
350.37860	2.7
364.35776	3.6
374.38144	1.1
392.38773	14.6
431.40125	3.6
448.06116	0.9
460.37866	10.1
462.39917	1.0
477.40460	74.8
478.40820	2.6
504.40482	1.0
521.43188	100.0
522.43585	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	521.2009
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	0.6
53.03944	0.7
53.62082	0.2
55.01857	0.5
67.14115	0.2
70.06583	0.3
70.80000	0.8
72.08152	0.3
74.60428	0.2
77.03916	0.5
79.05489	0.4
85.02917	0.6
86.09699	0.7
91.05489	0.6
94.48357	0.2
94.62122	0.2
95.04946	1.3
97.02876	0.3
103.05448	51.1
104.05783	0.5
105.07007	4.7
115.05423	0.9
119.04942	0.9
119.08503	0.3
131.04904	100.0
132.05280	1.0
133.06461	3.9
137.05945	4.5
137.06921	0.4
143.06114	0.3
147.04402	1.2
153.95706	0.2
159.08032	0.3
160.91937	0.3
161.04587	0.5
161.05956	12.9
163.07515	33.6
164.07779	0.3
172.05220	0.3
175.07521	1.1
179.07048	0.8
187.07509	2.0
251.10573	0.5
279.10144	0.5
291.10126	0.6
302.40567	0.2
311.12692	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.3313
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.0
55.01860	2.3
55.05499	13.9
57.03413	6.9
57.07053	6.9
65.03930	1.7
67.05497	21.5
69.03420	13.2
69.06715	2.7
69.07061	36.5
70.06584	8.7
71.04980	5.2
71.08614	2.3
71.63373	2.4
72.08138	3.4
79.05476	17.3
81.03409	8.4
81.07045	57.9
83.04957	3.6
83.08598	10.1
84.04462	1.6
84.08125	4.7
85.02885	11.1
85.06523	4.1
86.09698	5.7
87.00824	2.1
87.04417	2.2
91.05434	12.8
93.06458	3.3
93.07030	55.1
95.04948	12.4
95.08593	51.9
97.02864	2.8
97.06502	10.6
97.10155	2.9
99.04431	3.0
99.08050	2.9
99.11657	1.8
103.05421	2.1
105.07011	21.1
107.04876	2.2
107.08579	31.2
109.02851	4.4
109.06489	5.2
109.10132	37.0
109.50928	1.6
110.07159	2.5
111.08044	4.1
111.11721	5.0
117.06985	2.5
119.08572	15.4
120.08076	5.1
121.06484	2.5
121.10129	52.2
123.08053	7.6
123.11681	21.4
125.09617	6.5
127.03891	5.3
129.06924	2.2
129.10210	2.1
131.08569	6.5
133.06480	1.8
133.10104	14.1
135.08052	3.5
135.11696	17.0
137.05936	4.5
137.09604	4.1
137.13220	8.1
139.11159	11.3
143.08545	3.6
145.10071	8.4
146.85583	1.8
147.11649	10.3
149.09601	6.1
149.13222	8.3
151.11137	5.3
153.01845	2.3
153.12712	4.1
157.10107	5.0
159.11681	5.3
161.09581	2.6
161.13252	5.2
163.11189	3.4
163.14801	4.4
165.12688	2.5
167.10640	18.4
169.12189	2.2
171.11702	2.8
173.13216	4.3
175.14812	4.5
177.16388	2.1
179.10576	3.1
181.12213	2.1
185.11598	2.2
185.13210	1.8
187.14769	3.9
189.16420	3.6
191.14182	2.0
193.15831	2.0
197.11752	2.8
199.14816	2.3
203.17961	2.6
213.16385	2.3
215.14192	2.0
217.19635	2.2
237.18452	2.9
261.22128	3.1
269.22580	6.0
275.23566	3.7
287.23599	14.7
293.24777	5.8
305.24689	35.8
317.08374	13.8
323.25763	38.9
417.29929	1.7
503.30176	3.7
521.16223	100.0
521.31616	3.5
522.16864	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	520.4715
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89722	0.3
51.02869	0.3
53.03839	0.3
55.05372	2.2
55.05679	1.3
56.04921	0.4
57.03316	0.4
57.06928	1.9
57.07246	1.0
58.68704	0.2
59.04853	1.2
59.05173	0.4
67.05347	2.3
67.05756	0.8
67.21693	0.2
68.04928	0.4
69.06907	1.9
69.07311	0.4
69.49133	0.3
70.06462	0.6
70.06797	0.3
71.08487	0.7
71.19019	0.6
72.07990	1.6
72.08430	0.4
73.06423	0.5
73.06773	0.4
79.05319	1.2
80.04844	2.0
80.05347	0.5
81.03281	0.3
81.06882	3.5
81.07417	0.9
82.06424	0.9
83.04840	0.6
83.05244	0.3
83.08439	1.5
84.07958	0.9
85.06385	0.3
85.10057	0.4
86.09517	0.8
87.04337	0.4
91.05294	1.0
93.05648	0.3
93.06850	2.7
93.07483	0.4
94.06380	1.8
95.04826	0.5
95.07164	0.7
95.08410	2.7
95.09058	0.5
96.07965	0.6
97.06412	0.5
97.09972	0.7
98.05903	0.6
101.05811	1.1
102.08987	0.8
103.05322	0.5
105.06828	1.9
107.07168	0.3
107.08382	2.0
108.07909	1.5
109.06358	0.5
109.09949	1.2
110.09470	1.6
117.06869	0.5
121.06279	2.3
121.09921	1.9
122.09441	1.5
123.07901	0.6
123.11545	0.4
124.43420	0.3
126.08990	0.6
131.08340	0.8
133.09895	1.0
135.07899	0.6
135.11473	1.1
136.10957	1.0
137.09366	0.5
138.12627	0.5
142.07553	0.5
143.08339	0.8
144.10023	0.4
145.10046	1.4
147.07867	0.6
147.11528	0.5
149.09473	0.5
150.12598	0.6
151.07391	0.4
152.10451	1.2
156.09091	0.3
157.09877	0.8
159.11464	1.0
161.09358	0.4
163.10921	1.0
165.08882	1.0
165.10110	0.3
166.08495	0.4
169.09999	0.6
171.11517	0.5
172.09517	0.4
173.09383	0.3
173.13077	0.4
175.10960	0.6
180.10153	3.6
181.11974	0.4
183.11505	0.5
184.07053	0.8
185.13075	0.5
189.12518	0.6
193.12019	0.6
194.11510	0.7
196.13057	1.0
197.13043	0.5
198.11252	1.9
203.14206	0.4
206.18799	0.4
207.13631	0.6
208.13048	1.2
208.20320	0.4
209.13142	0.4
211.14574	0.4
219.13599	0.5
220.20557	10.8
221.15291	1.5
222.21948	0.6
227.12561	0.4
228.13177	0.3
234.15909	1.0
234.22116	7.1
236.23482	0.7
247.16788	0.5
248.23694	4.8
262.25079	1.1
264.26761	2.6
276.26587	0.7
282.24188	0.6
287.19980	0.3
290.28278	1.1
292.22620	0.4
296.25461	0.4
310.27310	2.5
320.25882	1.6
322.27133	0.5
325.21774	0.3
326.22253	0.4
334.27380	2.4
336.28775	0.5
348.28931	0.3
350.30475	0.5
360.35947	0.3
374.37735	11.9
375.38187	0.8
376.39224	1.2
388.39337	0.4
389.40482	0.3
400.39236	2.6
404.80484	0.3
425.27106	0.3
427.28067	0.3
430.43921	1.8
440.28998	0.7
469.31122	0.3
474.43161	0.9
476.44528	72.0
477.45062	2.1
478.46326	1.3
520.35950	10.5
520.47131	100.0
521.35944	1.6
521.47467	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	520.4716
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	0.8
55.05498	4.3
55.27473	0.7
55.34570	0.7
57.07075	5.5
63.20631	0.7
67.05495	6.8
69.07061	5.8
70.06635	0.9
71.08618	3.4
73.02900	0.7
75.24162	0.6
79.05476	2.7
80.05011	2.4
81.03423	1.1
81.07037	6.2
82.06558	1.0
83.04973	0.8
83.08601	2.8
85.10149	1.7
86.09691	2.5
87.04448	2.0
88.03968	2.5
91.05470	2.7
93.07011	3.6
94.06553	2.7
95.07352	1.3
95.08586	5.7
96.08114	1.7
97.06516	1.0
97.10158	2.5
103.73215	0.9
104.07081	1.1
104.10763	1.1
105.07022	3.2
107.08596	2.2
108.08086	1.0
109.06521	0.8
109.10178	2.3
119.08589	3.7
121.06481	1.9
121.10117	1.3
122.09664	1.2
123.11646	1.6
124.11237	0.9
124.99968	1.0
125.06002	0.9
131.08556	0.9
133.10104	2.3
135.07976	0.8
135.11720	1.4
136.11227	1.1
145.10117	2.1
159.11697	1.5
161.09584	0.8
163.11192	1.7
177.09090	0.8
180.10179	1.1
181.12248	1.7
183.40723	0.7
184.07315	3.6
189.12831	0.9
192.17476	4.4
194.11714	2.5
198.11214	0.8
206.18999	4.5
210.14948	1.0
212.12866	1.1
220.20566	6.6
221.15353	2.0
234.22134	8.5
236.23993	0.7
247.16895	1.2
248.23642	3.6
250.25447	0.9
262.25287	1.6
264.26901	1.5
278.28439	1.1
292.30237	0.7
296.25781	1.6
310.27365	1.3
320.25623	0.9
325.21411	1.3
340.23825	1.8
360.36212	15.6
361.36545	1.0
362.30798	0.9
367.16721	0.8
374.37689	1.5
387.39893	1.2
388.39410	1.1
391.41074	0.8
420.38419	2.0
425.26859	1.5
427.28253	1.2
430.43951	0.8
440.29105	4.5
476.44543	79.9
477.45105	1.8
478.46576	1.5
520.36084	6.6
520.47229	100.0
521.36536	0.9
521.47748	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	520.4139
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85392	0.2
53.03956	0.3
69.55579	0.6
69.56001	1.1
72.68582	0.2
79.05479	7.6
82.06541	0.2
83.66015	0.2
88.07350	0.2
91.05467	0.3
91.08318	0.2
93.07022	0.7
95.04954	0.6
95.08546	0.2
96.17365	0.2
99.03040	0.2
103.05450	14.9
105.04496	0.2
105.07023	1.2
106.06509	0.2
107.04938	8.5
118.06503	2.6
119.07285	0.2
120.08006	0.3
121.06477	0.8
130.06421	0.2
130.93756	0.2
131.04901	5.3
132.08060	2.4
133.08826	0.5
137.02554	0.2
144.08040	0.3
146.09621	4.1
149.05971	0.2
160.11200	0.7
174.12758	0.3
180.06662	0.2
188.14258	0.3
190.08578	0.3
202.15944	0.3
204.10213	0.4
210.79460	0.2
216.17462	0.4
230.19025	0.2
244.20650	0.4
246.22079	0.3
258.22128	0.4
266.11621	0.3
272.23645	0.3
280.13367	0.4
286.25348	0.3
294.14725	1.2
305.05499	0.2
308.16446	0.4
344.26059	0.2
372.36194	21.4
373.36514	0.4
476.44788	0.7
520.41394	100.0
521.41687	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	520.4138
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02343	0.2
53.03900	0.6
65.74374	0.1
69.06982	0.2
69.46404	0.3
69.46817	1.0
77.03877	0.2
79.05479	9.4
91.05462	0.3
93.06978	0.6
95.04942	0.9
98.91199	0.1
103.05448	17.4
105.04485	0.2
105.07005	1.8
107.04937	9.3
107.07288	0.2
118.06524	4.1
120.08094	0.2
121.06427	0.5
121.08875	0.2
131.04903	5.1
132.08072	2.2
133.08801	0.5
142.63914	0.2
144.07983	0.2
146.08463	0.2
146.09619	4.4
147.10463	0.1
149.05923	0.4
160.11220	0.9
160.53137	0.2
173.73468	0.1
174.12743	0.3
176.07072	0.2
188.14304	0.5
190.08559	0.3
202.15868	0.5
204.10219	0.2
216.17500	0.4
230.19061	0.2
244.20509	0.5
246.14897	0.2
246.22108	0.4
258.22037	0.4
260.23550	0.2
266.11649	0.8
272.23734	0.3
280.13290	0.4
286.25311	0.3
294.14835	0.6
302.21384	0.2
328.30167	0.2
330.24023	0.2
372.36176	22.0
373.36472	0.5
476.44345	0.3
520.41388	100.0
521.41736	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.4718
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	0.5
55.05507	2.4
56.04992	0.7
57.07029	1.6
57.46423	0.4
61.04080	0.3
61.72896	0.4
67.05485	3.1
69.03394	0.7
69.07076	1.9
70.06564	0.8
71.08582	0.8
71.24444	0.7
79.05482	2.0
80.05002	4.6
81.03416	1.7
81.07048	3.8
82.06528	0.6
83.04917	0.5
83.08611	2.0
85.06477	0.7
86.06007	1.2
86.09666	0.5
86.59095	0.3
87.04453	13.2
89.90846	0.4
91.05444	1.0
93.07028	3.3
94.06518	1.2
95.04936	0.4
95.07299	0.6
95.08588	2.6
96.08111	1.9
97.10114	0.8
98.06045	2.5
104.10710	0.6
105.06971	1.2
107.08554	2.0
108.08138	1.8
109.08836	0.5
109.10081	1.3
117.06954	0.6
119.08520	1.5
121.06473	0.4
121.10093	1.4
122.09570	1.0
123.08037	0.7
123.11659	0.4
124.07507	1.0
131.08478	0.5
133.10059	0.6
135.08029	0.6
135.11646	0.7
136.06093	0.8
136.07533	1.5
143.08511	0.6
145.10043	0.7
146.05986	0.5
147.07997	1.1
151.07509	0.8
157.10042	1.1
159.11624	0.5
165.09105	0.8
166.08618	6.4
169.10069	0.7
173.13211	0.5
174.15581	0.4
175.11171	0.4
180.10135	1.0
181.10893	0.4
182.11745	0.5
184.07297	1.7
184.09660	1.8
184.12233	0.5
185.13268	0.4
188.06926	0.4
194.11717	2.9
195.12514	0.5
202.93994	0.7
203.14250	0.5
206.57883	0.3
207.13635	0.6
220.20547	1.6
221.15309	1.6
222.22166	0.7
234.22141	3.1
236.23666	0.5
240.95566	0.5
248.14108	0.7
248.23651	2.5
250.25192	0.7
255.17482	0.5
262.25208	0.9
268.18719	0.4
284.39291	0.4
286.19177	0.9
290.24762	0.4
296.25784	1.1
303.19373	2.0
306.24197	1.1
310.27475	0.5
320.25702	2.3
322.27469	0.9
332.33167	0.6
333.33353	1.0
334.27350	1.8
336.28806	0.6
377.24426	0.5
388.39328	3.7
390.40881	5.4
456.38007	0.7
474.42896	0.8
476.44568	82.0
477.45108	1.8
502.35248	0.6
503.34683	0.6
520.35907	5.3
520.47180	100.0
521.37799	0.8
521.47540	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.3387
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89838	0.2
56.05025	0.4
57.03406	0.3
58.06353	0.2
58.06612	0.5
60.08151	5.0
67.05497	0.5
70.89525	0.5
71.07359	2.3
81.07052	0.3
82.41172	0.2
86.09688	24.8
91.05482	0.2
95.08604	0.2
98.98436	1.7
103.70653	0.2
104.10717	2.2
107.82485	0.2
124.99981	15.9
138.75415	0.2
143.01056	0.3
184.07303	100.0
185.07666	0.3
258.10910	0.4
423.79898	0.2
443.87119	0.2
502.33029	0.8
520.33850	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.3388
Annotation	2-linoleoyllysophosphatidylcholine
Peak:m/z	Relative Intensity
55.05499	0.8
56.05025	1.1
57.03411	0.4
58.06589	1.4
59.07371	0.5
60.08155	16.4
66.82312	0.4
67.05493	3.5
69.07056	1.6
70.92013	1.2
71.07362	5.6
79.05471	0.9
81.07042	2.2
86.09692	48.1
93.07010	1.1
95.08597	2.5
98.98448	2.9
104.10725	100.0
107.08599	0.8
109.10149	0.7
124.99988	25.9
148.09872	0.4
163.01550	0.5
184.07312	95.1
258.10974	1.2
306.35431	0.5
337.27292	1.2
502.32816	10.9
520.33911	50.8
521.34033	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.3107
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03913	3.3
55.05504	11.8
57.03428	25.0
61.02937	6.7
67.05163	1.9
67.05494	26.8
69.03403	3.6
69.07056	8.6
70.06570	2.0
71.04961	4.6
71.57267	1.3
73.02905	1.6
73.06488	1.4
75.04459	1.4
79.05480	39.5
81.03389	4.3
81.06573	2.1
81.07043	41.2
83.04948	3.7
83.08622	6.5
85.02888	6.6
85.06510	4.0
91.03928	2.2
91.05460	35.9
93.07029	46.8
95.04923	4.9
95.08587	30.8
97.02845	4.7
97.06507	8.0
97.10136	3.2
99.08083	6.5
103.03891	4.8
105.07018	38.7
107.04906	3.1
107.08578	25.7
109.06509	6.9
109.10130	9.1
111.08053	3.6
117.07007	12.4
119.08565	30.9
121.06475	5.9
121.10134	22.6
123.08028	6.2
123.11680	1.4
125.09590	1.8
127.03906	2.4
129.05424	1.6
129.06973	8.0
131.08539	18.8
133.10109	40.5
135.08025	6.1
135.11678	11.4
137.09586	6.4
139.11108	2.1
143.08560	7.5
145.04962	2.3
145.10115	15.7
147.08006	2.6
147.11653	34.5
148.07843	1.4
149.09583	12.3
149.13234	5.5
151.11165	3.2
153.09035	1.6
157.10121	9.4
159.11661	20.8
161.09521	2.2
161.13211	4.5
163.11110	2.0
165.12675	1.8
167.10614	1.8
171.11658	15.3
173.13261	11.1
175.11183	3.4
175.14815	6.3
177.12740	4.8
185.13228	3.1
187.14803	3.6
189.12741	1.5
189.16359	6.4
191.14247	5.9
193.15846	2.0
199.27861	1.4
203.14244	3.2
203.17935	10.1
208.94240	1.5
213.16322	29.5
231.17406	35.2
241.14282	5.9
249.18449	19.9
265.18002	2.5
283.67108	1.6
299.05988	2.6
300.06259	2.0
305.21014	5.9
323.22110	100.0
324.22693	2.3
341.23047	2.4
485.27200	5.2
521.27246	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	520.3112
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	3.1
55.01859	2.5
55.05507	8.9
55.77375	1.2
57.03179	2.2
57.03430	22.9
61.02901	5.3
67.05496	26.2
67.44367	1.3
69.03390	3.3
69.07063	7.0
69.28716	11.3
69.29144	4.6
71.04961	4.1
73.02889	2.3
73.44669	1.1
76.18555	1.7
79.05045	2.7
79.05481	34.5
81.03396	2.5
81.06570	1.8
81.07045	35.5
82.58294	1.3
83.04961	3.4
83.08601	7.4
84.08128	2.1
85.02895	6.0
85.06528	4.4
86.09633	2.0
91.03965	1.9
91.05457	31.8
93.07030	41.5
95.04948	5.5
95.08588	28.1
97.02895	4.4
97.06511	6.0
97.10152	2.2
99.04431	1.4
99.08076	6.2
103.03939	2.8
103.05467	1.5
105.06371	2.5
105.07021	32.1
107.04913	2.2
107.08582	25.6
109.06506	6.6
109.10139	9.3
110.07164	1.5
111.08038	3.4
115.05453	2.0
117.07012	11.4
119.08556	24.1
121.06490	3.6
121.10132	21.2
123.08065	3.7
123.11642	2.1
125.09623	2.2
127.03935	2.8
129.05476	3.0
129.06958	9.4
131.08562	18.4
133.10104	35.2
135.08047	4.5
135.11653	12.0
137.09578	7.9
139.11156	2.2
143.08534	7.7
145.10101	13.0
147.11664	30.1
149.09599	8.6
149.13202	4.2
151.11115	3.9
157.10112	10.1
159.11649	18.7
161.09555	3.3
161.13239	3.5
163.11113	2.5
167.10710	3.3
170.26735	1.6
171.11656	16.0
173.13258	8.1
175.11143	2.8
175.14766	7.1
177.12779	4.2
185.13208	3.5
187.14851	1.7
189.12750	1.5
189.16331	6.4
191.14273	6.4
193.15894	3.4
203.17981	8.6
213.16374	31.5
231.17403	33.9
233.19060	1.9
241.14352	6.4
249.18503	22.2
281.84659	1.4
300.06146	1.9
305.21045	8.0
323.22131	100.0
341.23108	3.1
359.21786	1.9
449.25351	1.9
467.25934	2.9
485.27655	6.9
521.26923	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	520.3108
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	2.1
53.85425	1.3
55.01861	2.9
55.05495	11.8
57.03431	6.4
61.02913	3.7
67.05492	35.2
69.03391	2.6
69.07057	19.2
69.47475	1.2
69.77422	3.1
69.77842	6.5
70.06580	3.2
71.04975	1.6
73.06524	1.6
79.05480	26.7
81.03409	2.9
81.07043	44.3
83.04968	2.0
83.08591	6.5
84.08143	2.5
85.02895	5.3
85.06522	2.1
85.08551	1.2
91.03896	1.9
91.05451	21.1
92.24945	1.4
93.07031	25.9
95.04947	2.8
95.08595	21.2
97.02847	2.8
97.06529	9.5
97.10143	2.9
98.05975	1.6
99.08062	3.6
103.03920	3.6
105.07010	22.3
107.04959	2.3
107.08583	20.5
109.06467	1.5
109.10144	19.4
110.07137	1.3
111.08083	2.4
117.06980	4.3
119.08560	20.3
121.10120	12.8
123.08077	2.7
123.11699	3.1
127.07542	2.7
129.06969	3.1
131.08562	8.5
133.06512	1.4
133.10112	26.7
135.08002	2.6
135.11652	11.5
137.09596	2.5
143.06985	8.7
143.08530	3.2
145.04872	1.5
145.08607	4.8
145.10078	7.7
147.08087	1.4
147.11661	20.7
149.09605	2.6
149.13216	4.2
151.11108	3.0
157.10109	4.0
159.11717	3.0
161.08115	2.5
161.13240	4.4
163.11189	1.4
165.12755	3.0
167.05481	2.6
171.11618	8.0
173.13322	2.0
175.11113	1.6
177.12733	1.4
184.07292	1.6
185.13148	2.5
187.14742	1.7
189.12802	2.6
189.16415	4.5
193.12363	1.4
201.11169	10.4
203.17897	9.6
213.16362	18.6
217.10722	3.2
219.12363	1.3
221.08121	2.2
225.14803	3.7
228.23093	1.3
231.17406	22.0
249.18513	12.8
293.14005	2.1
299.06213	2.5
300.06348	2.1
305.21030	2.9
323.22113	100.0
341.23071	1.4
381.18173	1.5
407.79681	1.3
465.66525	1.7
467.26187	3.4
485.27252	4.5
520.30957	3.1
521.26050	1.6
538.40979	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.3108
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69359	12.1
53.25119	12.1
54.84742	12.5
57.01378	12.1
57.03420	16.1
61.02917	15.0
67.05486	55.7
69.07040	20.2
70.06584	36.3
70.48131	50.1
79.05485	66.5
81.03401	14.7
81.07039	56.3
84.08141	21.4
89.86462	14.2
91.05463	57.8
93.07019	60.9
95.08582	32.6
105.07033	82.5
107.08565	34.8
109.10162	19.1
109.94059	15.3
111.08041	18.0
113.70708	15.8
119.08574	35.6
121.10117	29.1
129.10278	17.4
131.08543	22.0
133.10114	79.4
135.11714	19.2
140.97324	14.8
145.10123	24.1
146.58282	13.1
147.11642	67.1
157.10114	17.3
159.11644	20.5
161.13228	18.8
167.05499	27.3
171.11624	16.0
189.16345	16.6
203.17859	21.5
213.16246	67.4
231.17317	83.0
249.18547	15.7
264.36652	14.5
299.06180	20.3
300.06042	38.1
305.20966	18.2
323.22098	100.0
429.37469	15.2
520.18256	38.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.3045
Annotation	Terpendole C
Peak:m/z	Relative Intensity
53.03919	0.8
55.01868	0.6
55.05265	1.0
55.05506	13.1
56.05010	0.9
57.07065	7.0
57.98775	0.7
58.99574	18.5
61.01129	1.3
67.05495	2.3
69.07056	23.8
71.08630	3.0
71.63047	0.7
73.01126	1.6
75.02674	0.6
76.02214	13.2
76.03986	2.7
76.46011	0.5
79.05486	0.7
80.45998	0.5
81.07032	2.6
83.06092	1.6
83.08602	17.3
84.04498	7.2
85.01102	1.0
85.06516	0.8
85.10159	1.4
86.09695	0.6
86.99036	11.1
87.02682	1.4
88.02202	3.5
93.07014	1.7
95.08597	2.6
97.10157	14.0
99.05571	1.7
103.05460	0.6
107.08601	0.6
109.10134	1.1
111.06017	0.5
111.11711	6.2
116.01656	51.3
121.06483	6.4
122.06851	2.8
125.13260	1.7
129.06590	2.8
130.04935	2.7
133.10104	1.0
142.03195	4.9
144.01115	24.4
145.06046	1.4
157.34111	0.5
162.02174	100.0
163.02618	0.6
170.02663	1.0
179.04832	2.8
184.07289	1.0
199.96788	0.5
213.22169	0.7
232.99277	0.5
245.05875	1.4
270.20355	0.7
271.20859	24.0
288.23477	1.9
299.06488	0.7
315.20099	0.6
335.68021	0.6
350.74316	0.6
371.23654	0.6
372.23849	1.1
373.23425	4.2
374.23532	29.9
375.24017	0.8
391.26169	23.0
445.21463	1.0
445.27222	11.0
502.28903	1.5
520.30389	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	520.2745
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24910	0.9
54.22866	0.8
55.01861	1.2
55.05494	6.8
56.05016	1.0
56.82637	0.9
60.04504	0.9
61.02906	1.5
67.05484	1.3
69.03407	3.5
69.06712	1.3
69.07056	14.2
70.06580	12.2
71.05037	1.1
71.62937	1.6
71.63303	1.1
72.08136	2.0
73.06494	1.1
79.05464	2.3
81.03407	1.6
81.07029	1.7
83.04984	5.6
84.04482	1.5
84.08122	2.9
85.02893	5.9
86.06056	24.6
86.06561	1.1
86.09676	2.7
87.04440	1.7
89.06017	8.9
90.54401	0.9
93.06953	1.0
95.04962	1.5
96.08108	7.2
97.02873	1.7
97.06482	3.0
98.06020	1.6
98.09684	9.9
99.04444	1.1
101.06005	4.6
103.05423	1.1
105.07001	2.8
107.04926	1.9
107.08536	1.7
108.08076	1.6
110.06025	1.1
111.04426	6.5
114.09092	1.3
115.07545	3.2
116.10709	50.9
119.08598	0.9
121.10101	1.1
122.09640	2.0
124.07576	1.1
126.09147	1.0
127.03854	1.5
129.05452	3.0
129.10246	1.7
133.06432	2.1
133.08601	5.8
134.06854	0.9
134.09627	1.9
137.05928	2.2
140.10677	1.2
142.08600	12.6
146.09462	0.9
147.06493	1.1
148.11220	1.0
151.03842	2.8
152.04150	1.1
154.08589	3.0
155.06979	1.7
159.10162	1.7
161.05931	4.7
162.06302	3.0
164.10652	4.0
170.15373	1.2
172.09625	4.9
173.08110	2.2
177.11223	2.2
180.13741	1.6
182.15367	4.9
190.12218	2.5
194.15440	1.3
198.14859	1.9
208.13176	5.3
212.16396	14.5
226.14322	23.1
230.17468	61.0
244.15402	100.0
252.59175	0.9
299.06308	1.2
300.06467	0.9
340.21075	7.6
358.18005	1.7
358.22177	20.2
364.79834	1.0
375.98300	1.0
388.19589	1.9
392.22787	9.6
406.20636	5.3
502.26041	1.8
503.30511	1.7
520.02643	1.8
520.26245	3.7
520.33990	1.2
520.74225	2.7
521.02448	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2675
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09855	0.4
51.20522	0.6
51.98191	0.5
53.03925	1.0
55.01855	0.5
55.05513	5.5
57.03433	6.0
57.07063	0.5
60.04480	0.7
60.08144	2.6
61.45855	0.5
65.03915	1.0
67.05495	28.0
69.07059	6.1
71.01385	1.0
71.07355	0.7
79.05055	0.9
79.05482	13.9
80.05751	0.5
81.07043	24.3
83.04987	0.6
83.08607	2.9
85.06474	0.5
86.09695	10.8
87.10025	2.8
88.03980	6.1
91.05446	5.5
93.06458	1.1
93.07031	15.1
93.70306	0.5
95.04945	1.5
95.08590	17.9
97.06514	0.9
97.10176	0.9
98.98449	5.3
104.10711	2.2
105.07014	4.1
106.04989	1.5
107.04942	0.7
107.08581	6.0
109.06477	0.7
109.10146	6.4
111.08041	0.8
117.07001	1.0
119.08565	2.9
121.06460	0.6
121.10126	6.4
123.11689	2.2
125.00002	5.8
126.00329	1.4
127.00423	1.0
131.08551	1.5
133.10104	1.9
135.11671	2.6
145.10098	1.2
147.11633	2.0
149.13223	1.2
161.13194	1.1
163.11128	0.5
173.02139	1.2
173.13235	1.1
173.20306	0.5
184.07315	29.2
185.07675	10.7
186.07753	7.5
210.23665	0.5
225.04178	0.5
261.22162	1.2
299.06113	0.9
300.06155	0.8
327.70941	0.5
335.25754	100.0
336.26108	2.4
348.25351	2.0
520.33185	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
65.02594	1.1
69.79243	5.9
69.79659	2.4
73.04745	2.8
77.81544	1.1
86.09700	1.2
91.05793	12.3
116.82106	1.1
117.07002	1.3
118.06534	14.5
124.04758	1.3
130.06520	2.4
132.08093	5.0
143.07317	2.1
144.08066	10.4
146.05988	55.8
159.09123	7.9
160.07559	1.4
167.05527	10.7
170.05975	3.4
188.07040	100.0
189.07367	1.8
205.09702	51.6
205.11656	2.7
211.02551	2.0
223.12982	1.1
239.09288	1.4
266.99939	2.5
278.63684	1.3
283.03085	1.8
299.06171	16.3
328.84903	1.4
333.08490	1.5
344.97482	4.3
415.03360	2.2
464.43546	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1857
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.4
55.01858	7.0
57.03423	1.4
61.02892	1.8
65.03933	1.3
67.05496	2.7
69.03418	5.9
69.07050	1.7
69.47647	8.8
70.06581	5.2
71.04989	1.3
73.04765	1.1
79.05493	2.2
81.03418	3.2
81.07050	4.6
84.04506	1.2
84.08121	2.9
85.02895	11.5
86.09702	3.8
91.05389	1.5
91.05854	1.2
93.07048	3.2
94.04170	1.2
95.04958	2.2
95.08603	1.8
97.02905	2.9
103.05476	2.9
105.07044	3.3
107.04949	1.6
107.08607	1.7
109.02887	2.5
109.06513	2.4
109.10170	3.4
111.04448	4.4
115.05437	2.2
117.57617	1.0
119.08554	1.3
120.08089	2.2
121.06516	1.0
121.10126	2.4
122.03656	2.8
123.11721	1.1
125.06029	3.0
127.03908	4.6
129.06995	1.9
129.10333	1.2
131.04955	1.6
133.06567	1.1
133.10132	1.6
137.05969	40.2
137.09642	1.3
139.82816	1.0
143.04935	2.4
144.05705	1.1
145.04922	1.2
146.03601	1.8
147.08009	1.7
149.05980	1.2
151.03899	1.6
153.05457	3.1
155.04967	1.5
159.04539	1.0
160.05228	1.9
161.05946	7.2
161.09735	1.1
162.06844	1.2
163.07457	1.8
165.05467	6.2
167.05652	2.2
171.04317	1.3
172.05141	1.4
175.07507	5.2
177.05556	3.5
179.08571	1.1
183.04492	1.3
185.06001	1.8
187.07518	2.1
189.07126	1.7
189.09070	1.4
190.07706	2.2
191.07034	1.5
191.08595	2.5
203.06964	5.8
207.08066	2.0
215.06967	4.2
217.06573	2.0
218.07204	5.0
219.08022	7.5
220.08919	1.3
221.06030	1.4
221.08008	1.5
229.06425	2.4
231.06421	1.7
233.09677	1.2
234.06790	3.5
235.07526	5.1
236.08292	2.3
246.06793	6.8
247.07500	7.6
248.08432	2.0
249.09111	5.1
251.07068	1.3
251.10789	1.9
253.08557	1.0
257.06055	3.1
261.09064	10.3
262.06354	2.1
263.07098	3.6
264.07849	4.5
265.08551	3.0
267.10175	4.1
269.07983	1.5
274.06302	3.4
275.07083	4.6
277.08511	11.6
278.09488	1.6
279.06863	1.2
279.10068	5.3
289.08569	15.5
290.09430	2.0
291.06613	1.2
291.09961	1.1
292.07184	2.3
294.08807	4.9
295.09702	1.9
299.06219	3.4
306.09039	3.5
307.09592	24.1
309.11142	9.8
321.11160	31.7
321.24304	3.3
322.11734	1.7
327.12225	38.3
328.12708	1.3
339.12250	24.1
339.16327	1.6
341.93307	1.1
344.97610	1.1
357.09253	1.7
357.13342	11.3
357.18661	3.1
519.24115	100.0
520.25024	1.0
528.03589	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.3306
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	5.8
57.03429	4.1
57.07092	2.5
61.02914	6.2
67.05487	29.4
69.07056	7.2
69.86013	15.6
73.02911	2.9
79.05478	25.1
80.05818	2.9
81.03396	5.1
81.07040	33.0
83.08618	5.5
85.02882	8.1
85.06518	3.3
87.04423	6.6
91.03929	2.8
91.05468	12.3
93.07033	29.3
93.77968	2.8
95.04932	3.2
95.08595	27.6
97.02867	6.6
97.06470	3.4
97.10123	3.7
98.21377	5.7
99.08087	5.7
104.07063	14.9
105.07005	11.2
107.08591	16.9
109.10123	15.3
113.09614	7.2
117.07005	5.3
119.08578	16.5
121.10110	27.0
123.11667	13.8
131.08582	15.3
133.10112	19.1
135.11682	34.3
137.09579	5.0
137.13220	5.8
139.11137	2.9
145.02832	5.6
145.10120	11.2
147.11659	9.9
149.09608	6.1
149.13248	20.8
159.11621	15.6
161.13184	4.1
173.13251	12.9
177.05452	10.4
184.07304	5.4
187.14821	4.7
205.19511	8.5
205.47397	2.9
215.17926	68.4
233.16599	5.5
233.18956	100.0
235.20384	2.6
251.19987	6.4
299.06137	6.0
307.22546	32.7
325.23709	34.5
335.53281	2.7
355.94485	2.5
371.23608	4.0
387.09799	3.0
500.34424	5.3
518.34454	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	519.1341
Annotation	Siphonodictyal B3
Peak:m/z	Relative Intensity
57.03409	0.8
60.32930	0.4
65.36129	0.5
68.99734	0.6
70.06568	1.2
71.04980	4.2
71.62397	1.1
72.08115	0.9
73.04731	1.1
74.06051	0.9
81.03405	0.7
84.04486	0.6
84.08102	0.7
85.02887	7.4
86.06048	0.9
91.05788	3.2
97.02861	1.4
107.04916	1.5
108.05239	0.6
109.02872	0.7
127.03910	1.1
129.05481	0.7
131.03690	0.5
137.02353	1.7
145.04947	0.6
147.04367	0.6
147.06570	0.6
149.04475	1.0
163.03902	0.8
165.01793	3.8
167.05516	3.1
177.05403	0.7
183.02869	3.1
189.05331	0.5
193.01257	0.5
195.06525	0.6
203.03362	5.4
204.03685	4.7
211.02339	100.0
212.02734	0.9
216.03723	0.5
223.06369	0.6
224.49782	0.5
231.02841	0.5
232.03119	0.8
240.92929	0.5
261.03809	0.5
262.04269	1.2
266.99966	1.1
279.05084	0.7
280.05225	1.1
283.02902	0.8
291.04962	1.1
292.05188	1.6
299.06152	5.5
322.06287	0.7
339.07187	1.6
340.07507	2.9
344.97476	1.2
359.02884	0.6
416.41162	0.5
519.15082	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.3233
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05025	0.4
58.06372	0.2
58.06617	0.4
58.74586	0.2
60.08152	5.9
67.05496	0.4
70.74574	0.6
71.07363	2.5
79.05466	0.4
81.07027	0.3
86.09692	28.2
87.10027	0.2
93.07043	0.2
95.08586	0.4
98.98449	2.2
104.10717	2.4
109.60493	0.2
116.72256	0.2
124.99987	19.6
132.52011	0.2
143.00990	0.2
174.43950	0.2
184.07310	100.0
185.07639	0.6
209.53935	0.2
335.25446	0.3
373.27991	0.2
473.65424	0.2
500.31067	0.8
513.37421	0.2
518.32379	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	518.3235
Annotation	1-18:3-lysoPC
Peak:m/z	Relative Intensity
55.05499	0.6
56.05015	1.1
56.55755	0.3
57.03426	0.4
58.06594	1.2
60.08155	16.9
67.05485	1.9
68.33702	0.3
69.07050	0.8
70.89366	0.9
71.07363	5.8
79.05484	1.5
81.07047	2.0
86.09692	47.7
91.05448	1.1
93.07041	1.7
95.08578	1.8
98.98456	3.5
104.10728	98.1
105.07018	0.6
105.11061	0.5
107.08566	0.6
119.08521	0.3
121.10106	0.7
122.00535	0.3
124.99984	27.7
133.10106	0.4
163.01543	1.0
184.07310	100.0
185.07690	0.5
258.11081	1.2
335.25708	0.6
500.31277	10.2
518.32355	39.3
519.32501	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.2889
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.7
53.95057	0.4
55.01859	1.4
55.05502	4.0
56.05027	4.9
57.03418	0.5
57.07059	2.2
58.99580	10.6
61.01171	0.4
64.82054	0.4
67.05492	10.2
68.05009	1.7
69.07055	7.5
70.02922	0.6
70.06575	0.8
71.05798	0.9
71.07182	0.4
71.08615	1.4
73.01105	1.0
74.00661	2.5
74.01293	0.4
76.02216	22.5
76.03983	1.2
79.05480	1.9
80.05002	0.9
81.07043	11.2
82.06568	1.1
83.06081	1.1
83.08617	4.3
84.04497	9.9
85.10188	0.5
86.00644	4.8
86.99030	4.9
87.02681	4.5
88.02213	2.6
88.03938	0.5
91.05473	0.7
93.07023	2.1
94.06542	0.8
95.08589	14.6
97.01115	1.0
97.10156	3.3
99.02656	0.9
99.05598	0.8
100.02187	0.8
101.04216	1.2
102.05531	3.3
105.07024	1.0
107.08565	1.1
109.10146	6.2
111.02622	1.1
111.11706	1.2
112.03933	1.6
114.03728	2.0
114.05514	1.6
116.01656	20.2
119.08547	0.8
121.10146	1.4
123.11655	2.5
124.47483	0.5
129.06604	2.9
130.04958	5.1
135.11633	0.6
137.13232	0.6
142.03185	2.6
143.02744	1.3
144.01141	7.2
145.06096	1.3
162.02171	19.6
170.02702	1.0
179.04825	10.4
187.05292	0.7
189.03279	2.0
192.77435	0.5
193.19437	0.7
199.15154	2.0
209.21989	0.5
210.22136	5.3
211.20520	1.9
215.04697	1.2
217.19576	0.7
222.22145	1.0
225.16711	1.8
233.05864	1.6
234.22017	1.2
239.18365	0.5
242.19301	2.9
242.21411	1.0
245.05797	0.9
251.18280	0.7
268.20523	12.5
268.23163	2.5
269.19287	3.0
286.21942	10.4
291.06403	0.6
308.09027	1.5
322.23642	1.8
322.72849	0.5
328.19397	3.7
340.50314	0.6
371.23572	100.0
372.22461	1.6
389.24579	2.1
397.24774	1.0
425.24768	3.3
443.25629	5.8
455.25763	0.6
500.27750	2.2
501.26404	0.8
518.28790	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	517.3516
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	3.4
53.78705	1.0
55.01845	2.9
55.05504	9.8
57.03415	3.9
57.07037	1.4
65.03926	2.2
65.33522	1.1
67.05494	42.7
69.03398	1.4
69.07055	11.9
70.82092	1.5
70.82435	2.1
71.04972	2.3
79.05482	31.3
81.03403	17.8
81.07047	31.7
83.04967	3.3
83.08599	4.2
85.02896	8.0
87.04449	1.1
90.10400	1.1
91.05466	65.4
93.07029	45.0
95.04952	7.3
95.08592	33.6
97.06505	3.4
97.10134	1.8
100.29773	1.0
105.07006	15.8
107.04951	1.8
107.07944	1.5
107.08586	17.5
109.06520	1.3
109.10141	17.3
111.08051	1.7
117.07000	10.9
119.08560	60.2
121.06482	4.0
121.10132	14.4
123.08040	3.4
123.11652	1.8
129.06992	3.8
131.08563	10.8
133.10107	8.6
135.07974	1.3
135.11700	7.3
137.09590	27.2
139.11212	1.2
141.06958	2.3
143.07014	3.6
143.08507	2.8
143.97127	1.0
145.10115	9.2
147.08006	3.7
147.11642	5.9
149.09537	1.5
149.13260	3.0
155.08540	2.0
157.10088	1.7
159.11633	6.6
161.13246	4.1
163.14758	1.3
165.09094	20.9
165.45613	1.0
167.08424	1.0
167.10619	1.8
169.10107	2.9
171.11638	4.1
173.13222	4.9
175.14804	2.5
183.10133	8.7
183.11638	1.9
185.13266	2.9
187.14815	2.7
189.12767	1.2
197.13304	2.2
199.09569	1.9
199.14786	1.2
201.16251	1.4
213.12613	1.4
239.12633	5.3
243.21281	1.3
259.20679	1.1
261.22037	3.6
267.15991	1.4
285.22214	2.0
301.25235	1.1
303.22934	1.5
322.85495	1.1
335.25885	8.6
389.28323	1.9
401.26511	1.5
407.29138	6.1
425.30548	2.8
443.31473	1.1
455.50726	1.1
481.32974	2.6
499.34042	24.8
517.35120	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.2159
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01849	0.9
55.05507	1.6
56.05037	1.0
57.07069	2.3
58.99572	3.2
62.06070	1.6
67.05502	6.9
69.03432	1.3
69.07057	2.2
70.06593	9.7
71.08622	3.4
71.63115	1.7
72.08150	2.6
74.00657	7.4
76.02222	1.8
76.04021	1.4
79.05490	6.9
81.03404	1.6
81.07055	6.8
83.04979	1.1
83.06098	2.8
84.04496	10.0
84.08137	3.9
85.02897	2.8
86.09694	5.4
86.99050	2.0
88.07613	0.9
89.91752	0.9
91.05458	14.5
93.07024	6.0
95.04944	1.7
95.08601	3.6
97.01108	1.9
97.06511	3.2
100.11260	1.4
102.00128	4.3
102.98555	1.0
105.07012	11.9
107.04971	1.6
107.08591	4.3
109.06527	1.5
109.10139	2.4
111.02660	1.3
116.01658	11.9
117.06995	1.4
119.08579	8.7
120.08099	2.7
121.10121	3.7
123.02638	2.5
123.04398	4.2
123.08086	1.2
123.11675	2.1
127.03970	1.0
128.01654	0.9
129.05748	1.2
129.06517	5.0
129.10225	2.5
130.04990	2.5
131.08589	1.6
133.06499	1.8
133.10168	1.9
135.02582	2.8
135.11632	1.4
137.04170	2.7
137.05946	1.9
143.08530	1.3
144.01117	3.4
145.10094	3.5
147.11662	25.6
149.04213	1.6
149.13194	5.0
152.05241	1.5
153.03667	2.2
153.06526	1.8
155.01695	1.1
160.00642	1.8
162.02214	8.9
165.12730	7.0
175.11171	8.3
179.08899	2.7
181.06166	1.0
182.04703	0.9
193.10667	1.1
193.12126	5.8
205.10481	3.2
207.08374	2.7
209.10004	2.6
222.13072	1.7
223.11523	9.1
233.10132	1.7
243.10503	1.4
250.12624	3.6
251.10948	4.8
268.13641	2.7
271.06003	2.4
286.14679	34.4
289.54227	1.0
308.13083	15.3
320.03067	1.0
334.14944	0.9
336.12643	8.5
354.13727	3.3
372.14709	24.4
382.27701	0.9
389.17340	100.0
397.17819	1.4
419.30328	1.0
425.17651	1.8
443.18411	22.3
455.18021	1.6
462.77695	1.2
466.11288	1.2
501.18408	1.5
518.21118	10.4
518.28192	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	517.3516
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85246	1.4
53.03923	4.5
53.15331	1.5
55.01842	4.9
55.05502	26.6
57.03429	10.0
57.07050	3.9
61.48633	1.5
65.03941	1.7
67.05495	52.0
69.03402	2.3
69.07069	13.5
70.79410	5.3
71.04964	5.7
71.08596	1.7
79.05068	2.9
79.05483	41.0
81.02984	1.7
81.03405	18.3
81.06580	3.0
81.07038	54.4
83.04945	6.4
83.08220	1.4
83.08604	17.4
85.06519	2.8
86.09676	4.0
91.05467	34.2
93.06474	2.6
93.07028	40.4
95.04957	17.9
95.08585	32.9
97.06498	5.6
97.10157	22.4
99.08065	3.4
103.05413	1.7
104.10682	3.0
105.07017	27.8
107.04906	5.5
107.08569	28.1
109.06458	8.2
109.10133	19.5
111.08056	3.0
112.99938	2.4
115.05334	2.3
117.07014	15.7
119.08567	26.3
121.06473	6.6
121.10123	17.9
123.07990	5.1
123.11673	8.2
124.99949	2.2
125.09612	13.1
128.06213	2.0
128.66278	1.7
129.06985	8.8
130.07767	1.9
131.08542	20.4
133.06406	2.9
133.10114	18.4
135.08008	6.1
135.10852	1.4
135.11687	16.0
137.09593	3.6
139.11115	2.4
141.06932	3.8
142.07762	2.1
143.08542	8.0
145.02776	3.6
145.06473	1.7
145.10104	16.8
147.04378	2.8
147.07991	4.4
147.11659	14.0
149.09529	7.2
149.13174	6.9
151.11081	1.9
155.08498	3.5
157.10094	8.3
159.11649	16.4
160.96205	1.6
161.09608	3.9
161.13206	5.8
161.61058	1.6
163.11070	4.1
167.08466	1.9
169.10110	6.0
171.10229	1.6
171.11636	7.6
173.09589	2.6
173.13232	12.6
175.11186	3.2
175.14731	4.6
177.05435	5.6
177.12654	4.3
179.08522	1.9
179.14279	2.2
181.10040	3.7
183.11620	6.0
184.07277	6.0
185.13171	5.2
187.11121	1.6
187.14787	2.7
189.11107	9.9
189.12650	2.5
189.16319	3.9
191.13997	2.3
193.10448	2.1
193.12143	11.7
195.11655	3.5
197.13144	4.0
199.14769	3.0
201.12743	2.8
203.14325	2.1
205.15826	2.6
205.19383	2.0
207.11581	2.3
209.13203	3.8
211.14873	2.8
215.14267	2.2
215.17885	11.8
223.14798	2.9
227.12521	8.1
229.19389	2.5
233.15294	2.3
233.18953	12.8
237.16333	1.7
239.17955	3.9
247.16862	2.1
251.19847	2.3
255.21021	4.1
257.18933	4.4
267.15878	21.7
271.20349	1.8
273.18896	2.5
273.22006	13.0
299.12018	1.6
307.22592	15.4
331.22583	1.9
331.26266	1.8
375.21005	1.9
389.28226	2.4
407.24173	2.5
407.29117	8.6
419.27896	2.5
425.30426	12.6
433.25711	1.8
443.31433	8.0
481.32672	1.7
499.27145	2.9
499.33975	55.1
499.39587	2.0
517.34778	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3515
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	0.9
51.37629	0.8
53.03934	4.6
55.01860	2.7
55.05499	17.4
57.03427	5.9
57.07056	1.6
65.03916	2.4
67.05491	36.1
69.03416	2.7
69.07059	8.0
69.49823	6.0
69.50240	1.5
71.04980	3.4
72.42907	0.8
79.05476	51.6
81.03401	28.7
81.07040	35.2
83.04980	6.6
83.08602	15.1
84.41975	0.8
85.02888	14.1
85.06527	2.3
89.01938	0.8
91.05461	31.6
93.07023	47.6
95.04945	17.4
95.08587	18.6
97.06520	3.8
97.10141	4.5
99.08064	2.4
105.04510	1.4
105.07011	20.3
107.00681	0.8
107.04928	3.6
107.08564	12.6
109.06500	3.8
109.10149	7.7
111.04451	1.5
111.08057	3.8
113.05960	1.0
115.05424	1.6
117.06990	6.1
119.08552	16.7
121.06473	1.6
121.10122	26.6
123.08035	2.2
123.11673	2.5
125.09617	3.5
129.06998	5.7
131.08540	13.4
131.65601	0.9
133.06476	2.4
133.10106	10.4
135.08040	1.5
135.11681	4.9
137.09540	2.0
143.08542	3.0
145.10088	6.6
147.08000	2.3
147.11667	9.6
149.09596	3.3
149.13235	2.2
157.10123	7.1
159.11705	3.8
161.13193	1.3
165.12769	1.5
169.10179	1.3
171.11690	2.7
173.13258	4.1
175.11180	6.1
175.14754	1.1
185.13251	1.2
187.14810	2.1
187.27603	0.9
189.11224	1.3
193.10397	1.5
193.12201	24.9
197.13220	1.4
205.19582	1.0
211.13235	28.7
215.17932	3.0
227.12698	1.6
233.18958	2.7
239.12808	0.9
257.19141	1.1
262.84637	0.9
267.15814	5.5
273.22177	1.7
275.20074	1.1
285.16943	2.0
289.21545	0.9
307.22702	3.8
335.26053	1.0
407.29324	2.7
425.30371	3.6
443.31607	1.9
481.32733	1.0
499.34140	12.5
517.35156	100.0
518.35779	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3519
Annotation	CHEBI:66783
Peak:m/z	Relative Intensity
53.03929	3.5
55.01863	4.9
55.05503	10.7
57.03429	6.5
57.07054	2.7
57.23552	1.1
60.83531	1.0
65.03928	1.2
67.05495	37.3
67.25436	1.0
69.03412	2.4
69.06718	1.7
69.07060	23.9
69.37798	9.7
71.04964	1.5
71.42471	1.0
73.06537	1.8
79.05485	27.3
81.03409	29.1
81.03901	1.4
81.07044	46.8
83.04978	6.1
83.08615	4.9
85.06536	1.7
87.04472	1.5
91.05469	29.2
93.07030	27.2
95.04951	10.1
95.08593	37.0
97.06519	7.6
97.10168	2.5
99.08068	1.2
103.05458	0.9
105.07014	21.3
107.04919	4.5
107.08582	16.6
108.04058	0.9
109.06492	3.3
109.10150	15.0
111.08062	1.9
115.07606	1.0
115.36877	0.9
117.06998	10.7
119.08556	23.8
121.06505	6.6
121.10136	14.7
123.08035	4.6
123.11675	5.4
125.05957	3.1
125.09612	2.4
128.06192	1.5
129.06946	5.9
131.08539	16.2
133.06464	2.8
133.10115	14.6
135.08035	4.7
135.11667	6.9
137.09586	9.1
137.13234	1.1
141.06987	2.2
142.07739	1.2
142.39856	0.9
143.07007	10.2
143.08505	6.3
145.06512	1.6
145.10088	12.4
146.48584	1.1
147.08015	5.5
147.11664	10.7
149.09621	4.0
149.13248	4.8
151.11183	1.7
153.09157	1.2
155.08524	1.8
156.09244	1.0
157.10101	6.7
159.08008	2.0
159.11661	10.5
161.08105	1.8
161.09583	2.8
161.13226	4.7
163.07658	1.2
163.11168	2.6
163.14807	2.2
165.09071	9.0
165.12781	1.9
169.08850	1.0
169.10103	4.8
171.11641	4.9
173.09621	2.0
173.13214	7.3
175.11176	2.8
175.14819	3.4
177.09081	3.2
177.12726	1.5
181.10129	2.1
183.10191	1.2
183.11693	3.8
185.09612	1.1
185.13271	4.5
187.11174	1.0
187.14796	3.5
191.10599	1.4
195.11707	2.0
197.13283	2.2
199.09639	6.9
199.11230	1.5
199.14865	3.3
201.12732	1.4
201.16304	1.7
205.12210	2.9
209.13307	1.7
211.14778	2.3
213.16475	1.3
215.12666	1.3
215.17715	1.2
219.13736	1.7
221.15234	1.6
233.15263	1.1
239.12753	18.5
245.15421	1.4
247.16827	1.3
253.15770	1.0
259.16812	1.2
261.22125	9.8
267.15869	2.3
273.18286	1.4
279.23294	1.5
285.22113	2.4
299.23911	1.3
301.18069	1.9
301.25201	7.3
303.23065	1.6
317.24619	2.7
327.23032	1.9
335.25772	14.0
341.24902	1.6
345.23767	1.6
359.25912	1.9
375.21490	1.6
389.28119	2.1
393.22742	3.1
397.30917	3.4
401.26782	5.8
407.24493	1.9
407.29367	7.7
419.27829	1.2
425.30353	15.2
443.31674	4.3
461.53967	1.2
481.33179	3.2
499.34100	47.5
500.34000	1.2
517.35156	100.0
518.35486	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	517.3518
Annotation	CHEBI:66783
Peak:m/z	Relative Intensity
51.16164	1.0
53.03926	3.0
54.87083	1.1
55.01851	3.6
55.05260	1.5
55.05502	21.7
57.03429	6.6
57.07058	2.7
59.04989	1.3
65.03922	2.0
67.05495	36.9
69.03416	3.5
69.06757	1.3
69.07059	12.9
71.04974	3.1
75.18163	1.1
79.05478	29.1
81.03404	16.4
81.06567	2.2
81.07039	36.3
83.04965	3.4
83.08595	13.2
85.02895	1.7
85.06526	1.9
91.05463	26.3
93.07024	30.1
95.04962	12.6
95.08591	22.3
97.02885	1.0
97.06509	3.6
97.10149	16.4
99.08089	2.2
105.07008	20.4
107.04930	3.6
107.08575	20.1
109.06488	4.1
109.10124	14.8
111.08067	4.1
115.05379	1.2
117.07011	11.8
119.07779	1.5
119.08572	18.5
121.06448	6.6
121.10123	17.5
123.08038	3.2
123.11697	4.7
125.09612	10.9
128.06198	1.4
129.06973	8.0
131.08559	15.1
133.06512	1.7
133.10121	12.6
135.08073	6.9
135.11665	12.3
137.09610	4.1
141.06967	1.7
142.07822	1.1
143.08566	6.9
145.06499	2.7
145.10118	12.1
147.08072	3.5
147.11665	12.1
149.09598	4.2
149.13252	5.4
151.11157	1.7
153.12666	1.4
155.08501	2.8
157.10104	5.9
159.08054	2.9
159.11662	10.0
161.09659	2.1
161.13251	4.8
163.11153	1.8
163.14783	1.6
169.10106	2.4
171.11607	6.7
173.09587	1.4
173.13211	7.7
175.07623	1.5
175.11180	3.7
175.14856	4.3
177.12732	2.4
181.10100	2.4
183.11725	3.0
185.13217	5.1
187.11174	1.8
187.14832	3.9
189.09538	1.1
189.11217	7.0
189.12659	1.6
189.16339	2.0
193.10686	1.2
193.12177	7.4
193.15886	1.5
197.13217	3.9
199.14812	2.6
201.12846	1.4
201.16321	1.6
203.14349	1.8
211.13208	1.3
215.14275	1.2
215.17889	9.4
227.12643	9.6
231.13821	1.3
233.15353	1.8
233.18968	10.1
239.17941	2.5
247.16946	3.2
249.14816	1.4
255.21046	3.6
257.18976	3.9
267.15848	18.4
273.18994	1.7
273.22009	9.7
275.20047	2.8
287.20047	1.6
299.20132	1.5
307.19324	2.2
307.22635	11.7
313.21655	2.1
327.23135	1.9
331.22729	1.6
375.21616	1.6
389.28326	1.7
407.24353	2.1
407.29495	8.7
425.30432	12.2
443.31433	7.8
481.32986	2.1
499.34082	50.9
500.34250	1.4
517.35187	100.0
518.35217	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	517.2636
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	12.4
55.01857	20.2
55.05494	17.5
57.03422	12.2
60.04511	5.7
63.42703	4.9
67.05500	64.9
69.03419	13.0
69.07048	17.3
70.06569	26.4
71.04977	5.2
71.57789	5.2
79.05478	70.9
81.03402	27.2
81.07047	38.8
83.04958	19.3
83.08590	11.3
84.08125	16.0
85.02886	10.5
85.06523	5.6
86.09701	10.3
87.04475	5.6
91.05463	48.2
93.07032	73.6
95.01292	8.8
95.04961	16.7
95.08591	16.1
97.02857	10.4
97.06525	18.2
97.10130	4.8
100.10642	4.4
100.11249	20.5
105.06996	18.4
107.04943	82.2
107.08583	55.6
109.02929	4.4
109.06483	7.4
109.10152	8.4
111.04405	25.2
111.08058	7.2
115.05427	7.4
117.06999	53.4
119.04917	6.8
119.08555	20.5
121.06483	21.3
121.10117	29.8
123.08052	4.5
125.09626	20.3
126.26006	4.7
127.03889	7.7
131.08507	7.4
133.10109	7.5
135.08031	100.0
135.11684	32.1
142.12224	5.7
145.06456	29.1
145.10130	35.5
147.11713	5.7
149.09557	9.9
153.09094	31.7
153.12732	7.8
155.08629	11.5
161.09573	7.0
163.07494	53.0
163.11160	41.6
171.89211	4.9
173.09563	26.6
181.08609	22.6
181.12238	12.9
182.15303	5.9
191.10612	16.6
199.09624	6.9
210.14893	11.4
227.12680	25.4
237.11179	60.4
255.12207	35.9
265.14288	78.1
273.13297	63.9
283.15338	55.5
283.18164	6.9
301.16422	29.7
415.61642	5.2
438.31256	4.8
445.22208	29.6
463.23209	45.2
481.24435	17.4
499.25214	43.8
516.89319	11.5
517.28339	13.4
517.38849	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	517.2639
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.4
53.62029	0.5
55.01858	0.6
55.05500	5.4
57.03419	0.9
57.07055	1.7
59.04976	1.2
67.05492	13.4
69.03123	0.6
69.03424	6.2
69.07053	8.4
70.06565	1.9
70.31130	1.2
70.31502	1.8
71.04978	2.8
71.08584	0.6
72.08150	0.9
73.02882	0.6
76.30917	0.6
79.05469	2.5
81.03409	3.8
81.07040	13.6
83.04961	7.6
83.08612	4.3
84.04480	1.2
84.08112	1.6
84.52227	0.5
85.02404	0.9
85.02892	10.3
85.06519	2.5
86.09691	1.3
87.04432	1.6
91.05469	2.6
92.45377	0.6
92.75001	0.6
93.07035	6.1
95.04958	1.6
95.08588	23.3
97.02903	4.0
97.06528	3.8
97.10129	1.4
99.04443	7.2
99.08086	3.3
103.03928	10.4
105.07030	4.6
107.08577	14.9
109.02853	3.4
109.06500	6.8
109.10136	65.6
111.08059	2.4
113.09614	1.5
115.03972	0.7
119.08562	22.2
120.08060	1.0
121.10120	8.3
123.08051	8.0
123.11650	5.4
125.09615	1.1
127.03894	15.6
127.11169	0.8
129.10220	1.1
133.10115	14.4
135.11667	57.6
137.05965	0.6
137.09586	12.8
139.07524	0.5
139.11136	1.2
145.04922	6.6
145.10088	1.8
147.11644	1.5
149.13223	4.7
151.11154	6.9
151.14763	7.2
153.12698	2.1
155.10645	0.6
163.06013	4.0
165.16341	2.2
175.14792	28.7
184.27846	0.7
187.06084	0.6
193.15846	40.3
205.06895	0.7
211.16895	100.0
212.17140	1.5
220.59119	0.5
307.10168	0.6
333.73764	0.6
337.23511	0.9
352.15747	1.2
450.05890	1.0
517.20319	1.1
517.29346	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1547
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34694	0.5
56.05040	0.8
57.03426	1.1
57.90667	0.6
61.02910	1.0
62.35653	0.8
69.03421	1.9
70.06583	4.4
70.96970	1.1
70.97291	1.3
72.08132	2.1
84.04494	1.5
84.08140	1.8
85.02901	6.7
86.09682	2.2
97.02864	1.9
97.10799	0.6
107.04949	4.1
109.02876	1.2
110.07880	0.8
117.03358	0.8
119.04932	0.8
127.03906	1.7
129.10220	1.1
145.04884	0.9
147.04449	1.1
147.07661	0.9
151.03889	0.9
155.08096	0.7
161.05956	1.6
162.06529	0.7
163.03903	3.0
165.05423	1.2
177.05392	1.1
189.05460	10.5
192.04138	0.9
193.04961	5.2
193.08452	0.9
195.02809	1.1
201.05467	1.1
203.07014	6.9
205.04936	93.2
206.05710	12.5
207.06439	0.9
217.04924	17.1
217.08350	1.4
219.06454	5.1
227.06883	2.8
229.04919	3.2
230.05585	1.2
231.02835	1.8
231.06496	22.6
233.04416	1.5
233.08142	0.8
235.05972	100.0
236.06267	0.8
245.08037	14.4
247.06024	1.7
251.09093	1.7
251.40524	0.8
255.06558	3.9
259.05981	39.5
261.03885	1.5
265.07068	1.3
271.06003	9.7
273.07520	3.2
277.07162	1.2
283.06003	10.0
289.03793	1.3
289.07050	26.3
290.07333	1.0
301.07025	17.4
313.11517	0.8
314.12057	1.9
319.08063	20.2
321.09726	0.8
337.04980	0.8
337.09137	30.1
355.10181	58.0
356.10226	1.0
397.11032	1.2
434.03867	0.8
517.15332	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.4773
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66381	0.2
52.94978	0.2
55.05469	0.5
55.05685	0.3
57.07024	0.7
67.05432	1.2
69.07011	0.6
69.40871	1.3
69.41300	1.2
70.06518	0.7
70.49428	0.3
71.08536	0.3
79.05415	0.9
81.03342	0.7
81.06964	1.3
83.08535	0.9
87.04456	9.5
88.07544	1.0
91.05391	0.9
93.07022	1.3
95.08527	0.7
98.21504	0.4
102.09124	0.5
102.93658	0.3
105.06969	0.5
106.08591	0.5
107.08497	0.4
109.10077	0.5
111.66878	0.3
119.08496	0.9
120.08007	0.8
121.08865	2.6
121.10078	0.6
125.82652	0.2
129.84787	0.3
131.08536	0.4
133.10031	0.4
134.09637	2.9
135.10350	0.7
135.11566	0.3
137.09520	0.5
142.37486	0.3
144.08047	0.3
147.04315	0.4
148.11234	1.3
148.12152	0.3
157.10068	0.5
159.11592	0.4
162.12688	0.5
165.08951	0.3
176.14285	0.5
190.15974	0.3
204.17401	0.6
211.13164	0.4
218.18930	0.6
219.19678	0.4
232.20604	3.2
246.22165	4.9
256.26340	4.6
260.23590	1.0
274.27521	5.0
288.26794	0.6
302.28070	0.6
304.30103	0.4
306.28214	0.3
316.29947	0.4
318.31409	0.7
330.31503	0.9
332.32831	0.4
344.32907	1.6
358.34555	0.4
372.36090	0.4
373.79132	0.4
430.44040	55.0
431.44318	1.9
498.32089	0.4
498.48785	0.3
499.33719	0.6
516.47723	100.0
517.35260	2.3
517.48035	3.2
522.26959	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.3311
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03919	0.5
55.01852	1.6
55.05504	4.1
57.03424	3.7
57.07067	10.3
57.95967	0.7
59.72189	0.6
64.42094	0.5
65.03935	1.0
67.05489	2.9
69.03410	4.6
69.07057	5.5
71.01319	1.1
71.04971	1.9
71.63944	0.6
73.02899	1.9
73.86394	0.4
78.67705	0.4
79.05480	5.6
81.03410	1.3
81.07046	7.4
83.04967	3.0
83.08617	2.8
85.02879	4.2
85.06532	11.6
87.04436	1.2
87.08083	1.2
91.05463	21.6
93.07016	3.3
95.04964	1.2
95.08609	1.5
96.13245	0.5
97.02879	0.8
97.06519	1.2
99.04418	1.4
99.08074	1.0
103.03923	1.0
104.06237	1.6
105.07012	4.7
107.08592	2.6
109.06492	4.1
109.10087	0.6
111.04401	1.4
111.08061	8.4
115.03876	0.9
117.05473	1.0
117.06982	0.9
123.08028	1.4
125.09631	2.3
127.07533	8.9
129.09103	2.0
133.10106	100.0
134.10416	1.0
135.08031	1.0
141.09114	0.5
147.08022	4.1
149.09596	26.4
153.09056	6.1
171.10136	16.9
187.09586	0.6
189.11180	22.7
213.77444	0.6
241.45129	0.5
268.72464	0.6
337.19986	4.4
370.08209	0.6
485.28891	5.2
516.43304	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	516.3078
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05017	0.6
58.06365	0.2
58.06615	0.4
59.14338	0.2
60.07868	0.4
60.08156	5.7
67.05490	0.4
68.56149	0.1
69.07066	0.2
69.76466	0.2
70.06580	0.2
71.03593	0.2
71.07359	2.7
71.60608	0.2
71.61031	0.2
79.05482	0.5
81.07048	0.4
83.04942	0.2
86.09693	27.6
87.04466	0.2
91.05463	0.5
93.07029	0.6
95.04934	0.2
98.98457	3.0
104.10741	2.7
105.06992	0.4
107.04967	0.2
107.08562	0.2
109.10135	0.3
117.07015	0.2
119.08566	0.3
120.08089	0.7
124.99985	19.1
131.08566	0.2
136.55521	0.2
145.10089	0.2
184.07312	100.0
185.07643	0.6
248.23709	0.2
258.11057	0.2
354.27878	2.7
498.29236	1.1
499.35040	0.2
516.31567	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	516.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16476	0.1
53.03929	0.1
55.01863	0.3
55.05502	0.2
57.01998	0.1
57.03428	1.2
57.10527	0.1
59.04986	0.3
61.02906	0.2
67.05516	0.2
68.85675	0.1
69.03419	4.8
69.07042	0.1
70.06582	0.4
70.60596	0.2
70.60995	0.2
71.04959	0.1
72.08134	0.2
73.02885	0.3
74.57859	0.1
75.04466	0.2
79.05497	0.2
81.03413	0.3
82.06567	0.2
83.04968	0.1
84.08141	0.3
85.02895	4.2
86.09695	0.3
87.04455	3.1
91.05470	1.3
93.07049	0.2
97.02877	4.2
97.06521	0.2
99.04436	0.3
105.07008	0.2
107.04919	0.2
107.08604	0.2
109.02871	0.3
110.07116	0.1
115.03914	5.1
115.05347	0.6
116.06222	0.3
117.07004	0.2
119.08564	0.5
120.08046	0.1
121.02814	0.1
127.03886	0.7
128.06192	0.5
129.06978	0.4
131.04895	0.5
131.08556	3.3
133.04948	5.6
133.06516	0.3
133.10092	0.1
141.06963	2.3
144.05688	1.7
145.04930	0.7
145.06522	0.7
145.10072	0.2
146.07166	0.2
147.04424	0.2
149.02350	0.3
150.07677	0.2
151.03908	0.1
159.04390	0.4
159.08035	3.5
161.09566	0.3
163.03909	0.7
163.05989	0.1
163.96620	0.1
169.05016	0.3
169.06456	5.0
169.07590	0.3
171.09143	0.1
173.13316	0.1
176.04662	0.3
177.09116	0.2
187.07520	22.1
188.07919	0.2
203.10657	0.2
205.08572	100.0
206.08900	1.2
211.06061	0.1
233.15431	0.1
259.08008	0.1
277.09229	0.3
295.09802	0.1
476.65869	0.1
516.29523	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02964	1.3
55.01883	1.6
55.05496	4.0
56.05032	3.5
60.04500	2.3
61.01098	1.4
64.76620	1.4
67.05492	4.1
69.03413	3.0
69.07056	18.8
70.06581	50.8
70.76308	4.2
71.06924	2.1
72.08139	13.6
74.06028	2.3
79.05476	2.2
81.03398	2.4
81.07029	2.3
84.04498	7.8
84.08130	32.3
85.02889	4.3
85.95285	1.5
86.09686	24.7
91.05435	2.7
93.07024	1.7
95.04973	1.9
98.06071	1.8
100.11236	5.0
101.11593	1.5
102.05527	3.5
104.05315	2.4
107.04943	4.3
107.08588	1.8
107.92358	1.5
109.06515	3.1
110.06025	1.4
115.08633	1.8
115.53381	1.5
116.01634	1.7
116.07084	2.8
120.08092	8.5
122.05940	1.8
127.03918	1.7
129.10220	12.1
130.04945	3.8
134.06009	1.8
135.04373	2.2
136.07555	2.6
138.05460	7.0
140.07036	18.2
146.05896	2.1
147.04474	1.8
148.06331	1.5
148.07582	6.7
149.07486	1.5
151.03903	2.1
154.08571	2.5
163.03894	7.0
166.04942	4.0
174.05460	1.7
178.29308	1.6
187.07434	3.3
196.06316	1.4
203.07173	1.5
211.08716	2.0
212.09215	1.8
213.10240	5.9
215.06912	2.3
224.10829	2.3
225.10257	4.2
226.10988	1.8
227.11731	3.5
237.02730	1.4
237.10130	2.1
239.11754	7.5
241.09796	3.4
251.08675	1.4
253.09752	8.1
255.11278	6.9
265.09717	3.2
267.08615	2.6
267.11194	13.5
268.09229	2.2
268.12097	1.8
271.10626	1.9
280.08826	1.4
281.09128	2.9
283.10800	2.1
285.12247	8.3
295.10693	20.4
301.11679	6.1
311.10294	5.3
313.11746	74.1
314.12561	4.4
315.13400	4.7
321.08524	3.3
331.12662	2.7
339.09769	6.4
351.00925	1.6
381.13977	1.8
409.17435	3.1
426.19897	2.6
436.18677	3.7
452.18106	5.3
454.19629	100.0
455.18713	3.3
480.17618	18.9
515.37592	1.7
516.19324	3.1
516.30432	3.4
516.38391	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	516.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30825	0.3
53.58140	0.3
55.01871	0.3
55.05507	0.4
56.71663	0.3
57.03415	1.3
58.67897	0.3
61.02914	0.4
64.35254	0.3
67.05476	0.5
69.03417	4.5
69.07056	0.6
70.06561	1.1
71.62883	0.4
71.63247	0.4
72.08130	0.6
73.02898	1.1
79.05476	0.5
80.48727	0.3
81.03410	0.6
81.07047	0.5
82.06552	0.4
84.04475	1.1
84.08134	0.8
84.84723	0.3
85.02892	4.2
86.09670	0.8
87.04464	2.5
91.05478	1.7
93.07001	0.5
95.04971	0.3
97.02881	4.4
97.06509	0.5
99.04467	0.3
105.06995	0.3
107.04899	0.7
109.02842	0.3
115.03924	4.4
115.05450	0.8
117.06965	0.4
119.08573	0.7
120.02090	0.3
120.08090	0.4
123.01833	0.3
127.03901	0.7
128.03459	0.3
128.06172	0.3
129.06973	0.4
131.04958	0.7
131.08569	3.3
133.04938	3.2
141.06982	1.3
144.05675	1.4
145.04953	0.9
145.06476	0.4
147.11649	0.5
159.04384	0.5
159.08029	3.0
163.03876	0.9
164.73758	0.3
169.06451	5.1
169.07768	0.5
171.09192	0.5
187.07518	21.5
193.77129	0.3
203.93895	0.3
205.08572	100.0
206.08920	1.7
250.18771	0.3
257.45496	0.3
348.49094	0.3
352.15714	1.4
516.29462	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.4198
Annotation	Unknow
Peak:m/z	Relative Intensity
66.48022	0.4
67.05470	1.3
69.07015	0.5
71.58067	0.8
71.58498	0.8
75.76598	0.4
78.86131	0.4
79.05459	1.8
81.07045	1.1
84.04488	4.8
85.02412	0.7
85.02891	8.2
86.06039	1.0
87.04438	0.7
91.05453	0.5
93.07032	1.0
95.01298	1.1
95.08562	0.6
102.05029	0.4
102.05536	4.3
105.06998	0.5
107.07288	0.5
107.08551	0.8
107.88860	0.4
112.03941	0.8
113.02328	1.3
118.06519	10.0
120.08055	0.7
130.04984	25.4
132.08064	4.6
133.08838	1.5
133.84355	0.4
144.08032	1.1
146.09636	10.0
158.09499	0.5
160.11185	1.7
174.12718	0.6
188.14255	0.8
216.17494	0.6
223.17986	0.4
258.22290	0.5
272.23605	0.8
274.02231	0.5
286.25320	0.7
386.37738	100.0
387.38254	2.9
405.21863	0.5
412.39395	1.0
426.37277	1.0
429.43256	0.6
498.39243	5.2
512.58081	0.6
515.41974	68.7
516.41876	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	516.197
Annotation	Unknow
Peak:m/z	Relative Intensity
60.03056	0.4
65.62728	0.3
67.05487	1.0
69.07047	1.1
70.06582	2.7
70.81617	1.3
72.08148	0.8
74.06048	0.6
84.04491	0.5
84.08123	1.5
86.09677	1.6
91.05441	0.5
93.59306	0.5
109.02847	0.4
120.08087	0.8
121.02888	0.4
129.10201	0.4
138.05475	4.1
140.07066	0.6
146.06017	1.0
147.06738	0.6
148.07553	10.3
153.75249	0.4
166.04984	3.5
174.05455	0.7
177.30319	0.4
181.08844	0.5
198.09242	0.5
205.08659	0.5
210.09270	0.5
211.08618	0.7
211.12302	1.2
212.09369	0.7
213.10318	0.8
221.10733	0.7
222.09229	0.6
222.11404	0.4
224.11038	1.8
225.10184	3.8
226.08603	0.5
226.10733	0.5
233.08105	0.9
237.10216	2.2
239.08217	0.6
239.11775	7.9
240.08926	0.7
241.09650	1.3
249.10199	1.0
250.05847	0.5
250.08537	1.1
251.09093	2.1
252.08994	1.7
253.09717	5.7
254.10410	1.7
255.11356	1.1
265.09689	2.5
266.10330	0.8
267.11224	12.7
268.09448	0.6
268.12097	0.7
269.12674	0.9
270.11252	1.5
277.09601	0.5
279.07574	0.5
280.08450	1.2
281.09250	0.4
285.12369	1.3
293.09143	2.1
295.10733	19.0
296.11536	0.6
311.10059	2.2
313.11768	100.0
314.12769	3.9
321.08603	3.2
324.05811	1.2
339.09723	17.1
340.10168	0.5
357.10843	0.7
429.15851	0.8
434.16333	0.4
436.18579	2.0
452.17755	0.7
454.19669	29.2
455.19592	1.3
480.17554	8.0
498.18307	1.0
516.19220	1.5
540.14819	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.4198
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44255	0.4
55.05523	0.5
57.03435	0.8
57.07057	0.6
66.28363	0.4
67.05500	1.0
67.12337	0.4
69.30719	4.8
74.09724	0.9
79.05493	0.8
81.07062	1.1
82.06666	0.4
84.04492	5.2
85.02892	8.4
86.06048	0.7
87.04462	1.3
91.05475	0.9
93.07047	0.9
95.01337	0.7
95.08622	1.2
98.98410	0.4
102.05507	4.0
105.07027	0.9
106.06525	0.5
107.07381	0.7
112.03973	0.9
113.02348	1.0
118.06530	7.2
120.08051	0.5
130.04982	25.2
131.08578	0.6
131.26080	0.4
132.08067	6.6
133.08861	1.6
143.08540	0.5
144.08051	4.0
145.10075	0.7
146.09624	12.1
160.11238	1.8
174.12830	0.6
188.14380	0.9
202.15846	0.9
216.17482	0.5
230.19032	0.5
232.20551	0.5
241.58694	0.4
244.20598	1.0
246.22197	0.6
258.22202	1.0
260.23703	0.6
272.23511	0.5
372.36310	2.2
386.37747	100.0
387.38113	2.7
412.39288	1.4
415.95215	0.5
423.32547	0.5
426.37164	0.6
429.42758	1.4
497.31732	0.7
498.39325	4.3
515.41974	70.1
516.41901	2.0
516.48895	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.336
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	3.5
55.01862	3.6
55.05503	14.9
57.03404	2.7
57.07044	1.4
65.03912	1.3
66.01720	0.6
67.05495	30.5
67.32222	0.7
69.03395	1.2
69.07059	9.1
69.40583	6.7
71.04959	2.6
73.02865	0.8
77.03876	0.7
79.05482	52.6
80.39697	0.7
81.03381	2.2
81.07043	28.5
83.04947	3.0
83.08134	0.7
83.08601	9.3
85.02872	0.9
85.06499	0.6
91.05466	21.0
93.07030	61.3
94.07359	0.7
95.04961	10.9
95.08595	40.3
97.02863	3.0
97.06506	4.8
97.10120	2.2
98.20706	1.1
99.04416	2.6
99.08033	1.7
103.05410	1.1
105.04498	1.2
105.06381	1.2
105.07021	15.6
107.04938	7.2
107.08577	29.3
109.06484	2.9
109.10135	6.1
111.04444	1.1
111.08048	2.0
113.05980	0.8
113.09619	1.0
115.81321	0.7
117.06992	11.8
118.06513	0.7
119.07794	1.1
119.08570	14.8
121.06508	6.9
121.10124	29.5
123.08029	1.4
123.11650	1.4
125.05984	3.2
125.09582	1.1
129.06964	1.9
130.07744	2.5
131.08536	4.6
133.10101	7.0
135.08063	3.5
135.11668	40.4
139.07521	1.6
139.11140	0.7
141.06961	0.8
143.08530	1.9
145.10104	28.3
146.10425	0.9
147.11642	2.2
149.09621	0.9
149.13226	1.7
155.08524	0.8
157.10049	1.8
159.11687	4.3
161.13214	1.6
163.11157	50.8
171.11723	1.0
173.09601	1.2
173.13248	2.9
181.12195	11.4
185.13269	0.9
195.11780	0.9
209.11594	1.3
215.17900	4.0
227.12746	100.0
228.13248	1.5
233.18930	3.1
260.90140	0.6
283.15396	2.7
289.21600	0.9
294.27417	0.8
311.25476	1.1
312.26224	1.6
405.27896	0.9
423.28900	1.5
442.19705	1.0
497.32809	2.1
515.21448	2.3
515.33636	83.4
515.46326	3.8
516.33606	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3358
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02371	0.8
53.03928	3.2
55.01863	6.2
55.05503	10.3
57.03422	2.7
57.07072	2.0
60.75556	0.7
65.03929	2.5
67.05492	36.3
69.03405	1.8
69.07054	6.8
71.04983	5.2
71.08632	1.0
71.63717	1.2
79.05479	53.3
81.03412	2.9
81.06563	1.6
81.07040	26.3
83.04971	2.0
83.08592	4.4
85.02924	1.1
85.06529	1.6
87.04463	1.0
91.05464	26.8
93.03406	1.1
93.07024	43.0
94.99494	0.7
95.04961	4.3
95.08587	21.6
97.02866	6.5
97.06521	2.4
97.10145	1.8
99.00847	1.0
99.04440	9.9
103.05462	1.8
105.07009	14.7
107.04935	14.7
107.08573	51.1
109.06488	2.3
109.10143	7.9
111.04442	2.9
111.08066	1.0
115.05445	5.3
117.06992	32.2
118.06550	1.4
119.04834	1.2
119.08566	9.4
121.06476	11.6
121.10116	15.6
121.10997	1.0
123.11700	1.4
125.08203	0.8
125.09631	3.1
125.62355	0.9
131.08542	6.8
133.06476	1.3
133.10118	5.4
134.50334	0.8
135.08028	54.6
135.11665	10.7
138.74590	0.9
145.06444	6.9
145.10085	5.6
147.11667	3.6
149.13242	6.4
153.09067	7.5
159.11638	4.9
161.13243	3.6
163.07510	52.3
163.14799	2.6
164.33525	0.8
173.13252	3.0
175.14854	1.0
175.73793	0.7
181.08554	13.8
181.10123	0.8
187.14902	1.3
189.16368	1.1
199.09616	84.9
200.09988	1.0
216.81058	0.8
243.21092	3.3
255.12346	1.7
260.53439	0.8
261.22067	14.4
261.24774	1.0
277.09430	0.7
317.24600	4.4
441.30130	2.7
515.33429	100.0
515.46136	5.6
516.33728	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	515.3208
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.7
55.01850	5.4
55.05499	18.5
57.03418	11.3
57.07068	5.2
61.02917	5.7
65.03924	3.5
67.05492	92.8
69.03429	13.7
69.07057	26.2
70.68117	8.3
71.01353	3.0
71.04974	6.5
71.15371	2.3
73.02907	3.1
77.01748	2.6
79.05481	59.9
81.03416	11.9
81.07043	100.0
83.04995	4.4
83.08579	13.2
85.02895	8.1
85.06546	3.6
91.05473	45.3
93.07027	78.5
95.04967	9.4
95.08595	77.7
97.02894	8.6
97.06512	7.7
97.10155	5.8
99.08079	5.2
103.05492	3.2
105.07011	39.1
107.04971	4.6
107.08577	46.3
109.02866	3.3
109.06511	8.7
109.10130	39.1
111.04406	2.9
111.08056	7.5
117.06995	17.9
119.08567	38.5
121.06463	3.5
121.10107	46.0
123.04369	3.0
123.08054	7.6
123.11691	17.8
129.07005	7.7
130.94350	2.6
131.08533	36.2
133.10103	28.1
135.08023	3.7
135.11674	31.5
137.09576	2.9
137.13246	4.5
143.08546	7.8
145.10074	22.1
147.08020	4.3
147.11679	19.4
149.13191	17.9
151.11143	2.5
155.08560	3.7
157.10165	7.8
159.11644	23.6
161.13213	16.7
163.11182	4.2
163.14758	14.3
169.10075	5.2
171.11703	5.2
173.13210	17.6
175.11169	3.4
175.14801	5.3
177.12672	3.8
177.16386	7.1
185.13171	4.8
187.14775	15.6
197.13332	4.4
201.16327	6.1
243.21086	29.7
261.22119	76.0
269.17462	4.6
271.20444	3.7
279.23077	4.5
301.21561	4.5
303.23102	8.7
319.22339	3.0
327.22849	4.0
335.25735	14.0
345.24207	6.8
353.26923	22.2
365.26520	4.5
369.24255	9.8
375.25262	4.1
377.26688	2.8
387.25128	6.6
405.26376	8.0
419.27704	5.5
423.28317	2.8
431.27850	2.8
443.27911	3.8
461.28928	10.8
479.30020	8.4
497.31018	14.5
515.33594	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	515.3209
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	19.9
55.06451	3.1
57.03413	12.7
61.02924	5.9
66.57063	4.3
67.05497	100.0
69.03404	10.8
69.07046	15.9
71.04965	6.2
73.02888	3.7
79.05057	3.9
79.05485	56.7
81.03398	7.2
81.07047	94.7
83.04958	8.4
83.08604	10.3
85.02905	7.3
91.03967	4.8
91.05454	34.3
93.07033	60.1
95.04940	9.3
95.08594	83.4
97.02876	6.6
97.06497	3.9
97.10116	5.5
98.21496	8.7
99.04389	4.2
99.08074	5.6
103.03942	4.6
105.07018	26.5
107.08591	48.9
109.06534	8.9
109.10152	34.8
117.07000	13.5
119.08566	23.8
121.10123	39.7
123.11697	14.8
129.06973	5.9
131.08562	26.1
133.10127	19.3
135.08005	4.5
135.11662	26.2
137.09593	5.1
137.13249	9.1
143.08565	5.9
145.10133	25.6
147.11676	20.1
149.13249	19.2
151.11179	4.5
159.11667	18.3
159.68781	3.3
161.13202	10.4
163.14799	14.5
169.10071	4.7
173.09590	4.2
173.13254	21.8
175.14738	5.3
185.13182	3.9
187.14775	11.8
189.44556	3.7
204.03041	3.4
209.90784	3.8
233.22733	4.8
243.21057	24.7
260.52084	4.0
261.22113	69.0
299.72946	3.5
299.76355	3.6
301.21375	5.1
303.23065	9.6
335.25830	24.3
345.24045	8.5
353.26825	30.8
369.24277	5.2
419.27829	8.1
423.90189	3.7
443.27936	9.1
461.28824	5.8
497.31116	15.0
515.33771	6.2
520.93628	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	515.321
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	4.1
55.01852	3.3
55.05497	17.3
57.03425	7.2
57.07052	3.9
61.02903	3.8
64.80711	1.4
65.03918	3.3
65.35480	1.4
67.05492	77.0
69.03413	8.2
69.06782	1.4
69.07059	17.8
69.36962	2.6
69.37362	13.6
70.73040	1.3
71.04980	4.1
71.08633	1.9
73.02898	1.6
77.03933	1.6
79.05479	57.5
79.44585	1.3
81.03429	3.4
81.07042	92.9
83.04969	2.7
83.08605	9.6
83.86395	1.7
85.02892	4.4
85.06520	4.6
90.89684	1.5
91.03983	1.5
91.05460	29.9
93.07026	69.3
95.04958	8.1
95.08589	69.3
95.94310	1.4
97.02876	3.4
97.06493	5.8
97.10125	5.3
98.22821	1.4
99.08096	3.4
103.73952	1.3
105.07010	27.9
107.04957	3.6
107.08578	40.5
109.06486	6.4
109.10138	38.5
111.08067	3.2
113.09644	1.5
115.05470	1.8
117.06998	14.7
119.07767	2.5
119.08555	27.0
121.06454	2.9
121.10123	44.3
121.11006	2.2
123.08031	3.7
123.11687	19.6
127.03887	1.8
129.07005	4.3
130.13443	1.4
131.08551	27.0
133.06477	1.5
133.10107	22.2
134.08902	1.3
135.08035	3.9
135.11664	31.5
137.09666	3.6
137.13228	7.1
139.11133	2.8
142.07678	1.5
143.08527	5.2
145.05029	1.4
145.10101	24.2
147.11652	18.6
149.09587	3.4
149.13232	24.4
151.11165	2.8
151.14752	2.5
153.12744	2.5
155.08519	2.9
156.05214	1.3
157.10091	5.4
159.08035	1.7
159.11639	19.1
161.13205	14.9
163.11102	3.0
163.14783	15.5
165.12740	2.2
171.11629	4.1
173.09702	1.4
173.13235	20.0
175.14790	5.3
177.12724	2.9
177.16307	4.3
179.14258	2.9
187.14804	11.2
189.12671	1.7
191.14345	3.7
195.11865	1.5
196.48778	1.5
201.16345	2.9
205.15768	2.0
215.17761	2.1
217.15956	1.8
233.18890	1.8
233.22525	4.3
243.18748	1.1
243.21037	35.3
261.22092	100.0
275.05023	1.3
279.23193	2.0
289.21799	1.6
301.21722	1.6
303.23233	2.4
317.24667	2.4
335.25781	17.2
345.24017	3.5
353.26804	23.1
369.24197	4.6
387.25046	3.8
405.26361	5.1
419.27750	2.0
423.28055	1.9
443.27414	2.6
461.28745	4.8
479.29654	3.1
486.71985	1.5
497.31210	8.7
515.33575	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	515.3208
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	5.2
55.01852	3.7
55.05503	20.4
57.03438	7.8
57.07058	5.6
61.02905	5.5
63.78894	1.1
65.03929	3.0
67.05493	95.2
69.03413	6.5
69.07058	19.6
71.04971	4.2
73.02878	1.6
79.05479	67.4
81.03403	4.8
81.07044	100.0
82.44443	1.3
83.04971	2.5
83.08608	12.3
85.02898	7.4
85.06516	4.5
91.03932	2.5
91.05466	36.2
93.07029	80.4
95.04965	9.8
95.08591	81.0
96.21145	1.3
97.02871	3.6
97.06522	6.6
97.10131	5.7
98.20714	2.6
99.08067	4.1
103.03923	2.6
105.07013	31.1
107.04940	2.6
107.08576	48.7
109.06493	5.7
109.10132	43.2
111.08013	2.2
111.11650	2.0
113.09612	2.8
115.05457	1.4
117.06993	15.9
119.08566	25.6
120.38836	1.3
121.06510	2.2
121.10118	43.6
123.08038	3.7
123.11684	20.5
125.09598	2.7
128.06216	1.4
129.05472	1.5
129.06961	4.6
131.08534	24.3
133.10115	20.8
135.08020	3.5
135.10654	2.6
135.11664	36.8
137.09583	1.8
137.13226	7.9
139.11124	2.3
143.08516	2.6
145.10101	26.7
147.08015	1.6
147.11670	13.8
147.25801	1.1
149.07030	1.4
149.09563	2.5
149.13235	24.8
151.11148	2.8
151.14848	1.8
151.42543	1.1
153.12770	1.6
157.10078	3.5
159.08069	2.1
159.11668	20.7
161.09518	1.7
161.13235	12.1
163.11197	11.5
163.14806	14.8
165.12715	2.7
169.10104	1.9
171.11624	4.2
173.13216	21.3
175.14795	6.1
177.12721	3.1
177.16376	6.1
179.14297	3.8
181.12212	2.0
183.11652	2.0
185.13251	1.6
187.11188	1.5
187.14790	11.9
189.16364	1.8
191.14307	2.7
195.13704	1.9
199.14847	1.7
201.16354	2.1
211.14890	1.7
215.17896	1.5
219.17474	2.1
227.12720	16.1
233.22562	3.6
243.21051	30.8
261.22092	89.4
261.90540	1.4
270.69843	1.5
279.23071	4.8
285.22134	2.1
301.21576	2.7
303.22885	1.8
317.24744	2.1
327.23502	2.1
335.25781	30.4
345.24121	3.7
353.26831	20.8
369.24075	3.7
387.25003	1.8
405.26154	1.9
419.27808	4.2
423.28586	2.1
443.27780	3.0
461.28937	3.3
479.29889	2.9
497.31378	10.2
515.33533	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	514.4612
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01839	0.2
57.07047	0.2
69.07055	0.8
69.53831	0.7
69.54241	0.4
73.02872	0.5
73.06511	0.4
79.67869	0.2
87.04396	0.4
93.05742	0.2
106.06536	0.1
107.07302	0.3
107.44387	0.2
118.06527	5.2
119.07270	0.2
120.08092	0.2
130.06459	0.6
131.07240	0.4
132.08063	3.8
133.08873	0.9
134.09608	0.2
144.07996	0.3
146.09631	7.4
160.11177	1.4
174.12733	0.4
188.14293	0.6
201.18111	0.1
202.15796	0.8
216.17355	0.4
230.19012	0.2
232.13347	1.0
244.20610	0.4
246.14816	1.2
246.22128	0.6
258.22086	0.7
260.16364	1.8
260.23596	0.2
268.64682	0.2
271.74597	0.1
272.23657	0.7
274.18057	0.3
274.25259	0.6
276.68945	0.2
286.25272	0.4
288.26636	0.2
358.27359	0.2
363.82516	0.2
382.51630	0.1
396.36261	0.1
400.39322	19.6
401.39600	0.5
426.40891	0.4
428.42487	1.2
510.67313	0.1
514.46118	100.0
515.39099	0.2
515.46503	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	514.461
Annotation	Unknow
Peak:m/z	Relative Intensity
54.66829	0.1
55.01829	0.2
55.05463	0.2
59.04942	0.1
59.22477	0.1
69.07013	0.5
69.07349	0.1
70.06533	0.1
71.93287	0.1
73.02860	0.4
73.06503	0.5
84.15503	0.1
87.04408	0.6
88.07600	0.1
90.64938	0.1
93.05707	0.2
98.20722	0.4
107.07272	0.4
118.06522	7.1
119.07228	0.2
120.08053	0.2
130.06485	0.3
131.07243	0.4
132.08066	3.6
133.08865	0.9
134.09651	0.2
144.08022	0.3
146.09618	6.9
147.10387	0.2
158.67711	0.1
159.10292	0.2
160.11172	1.6
174.12679	0.6
188.14252	0.8
202.15872	0.7
216.17343	0.4
230.19003	0.3
232.13307	1.3
240.15141	0.1
244.20532	0.3
246.14874	1.0
246.22124	0.4
257.26404	0.2
258.22070	0.7
260.16409	1.2
260.23630	0.3
272.23721	0.8
274.18066	0.3
274.25098	0.7
286.25201	0.6
288.26941	0.2
300.26749	0.3
326.75775	0.1
365.08350	0.1
386.30060	0.2
400.39301	19.2
401.39545	0.2
414.35236	0.2
414.40884	4.1
426.40833	0.5
428.42462	3.1
514.46088	100.0
515.46503	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.4615
Annotation	Unknow
Peak:m/z	Relative Intensity
56.49694	0.2
57.07035	0.2
60.18990	0.2
67.05487	0.3
69.24072	0.2
71.63811	0.3
81.06993	0.2
87.04456	9.9
93.05767	0.2
100.59943	0.2
105.62305	0.2
106.06493	0.3
107.07331	0.4
110.51916	0.2
118.06524	7.7
119.07315	0.3
120.08140	0.3
130.06512	0.7
131.07306	0.4
132.08063	5.2
132.08986	0.4
133.08835	1.1
134.09598	0.3
144.08054	0.4
145.08647	0.2
146.09627	10.0
160.11208	1.9
174.12805	0.6
187.07567	0.3
188.14355	0.8
189.19591	0.2
202.15915	0.6
204.10120	0.4
215.07039	0.5
216.17488	0.7
218.11742	0.7
224.64778	0.2
230.19049	0.5
232.13368	0.9
244.20557	0.4
246.22087	0.5
257.26706	0.2
258.22119	0.6
260.23816	0.2
272.23709	1.0
274.25385	0.5
286.25168	0.5
288.27005	0.3
290.85568	0.2
300.26898	0.7
302.28229	0.4
342.31015	0.3
358.35074	0.2
386.37900	0.4
428.42471	40.4
429.42969	0.9
470.38025	0.3
497.32492	0.7
511.27808	0.2
514.46100	100.0
515.46600	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	514.461
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76695	0.2
52.35928	0.1
56.20996	0.2
56.97055	0.2
57.29056	0.2
69.41071	1.7
87.04452	10.5
106.06521	0.4
107.07285	0.7
118.06521	9.2
119.07294	0.3
120.08024	0.3
130.06482	0.5
131.07266	0.4
132.08064	4.8
133.08849	1.0
134.09612	0.2
144.08020	0.4
146.09619	8.6
160.11166	2.1
174.12752	0.7
188.14267	0.7
202.15860	0.8
204.10172	0.8
216.17415	0.4
218.11758	0.7
230.19109	0.3
232.13312	0.8
244.20602	0.5
246.22314	0.2
258.22171	0.7
260.23862	0.2
272.23520	1.0
274.25269	0.7
286.25201	1.1
288.26740	0.3
300.26761	0.8
302.28314	0.5
404.38443	0.2
428.42450	40.9
429.42709	0.7
469.56375	0.2
514.46082	100.0
515.46722	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.2851
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.7
55.01852	0.7
55.05496	5.1
57.03416	2.6
61.02891	1.3
66.39737	0.8
67.05170	0.8
67.05478	4.7
69.03439	1.1
69.07044	3.0
70.06582	9.7
70.71109	1.5
70.71478	1.3
71.04973	1.1
72.08131	4.8
78.12434	0.7
79.05473	6.4
79.48296	0.8
81.03400	68.1
81.07030	5.8
83.04955	2.4
83.05507	0.6
83.08127	1.5
83.08604	20.6
84.04488	1.0
84.08125	3.6
85.02888	2.7
85.06477	0.8
86.09683	14.4
91.03925	1.0
91.05462	7.9
93.07017	4.7
95.04954	23.1
95.08574	2.5
97.02895	3.3
97.06535	1.3
99.72968	0.7
105.07005	6.2
105.50307	0.7
107.04943	5.4
107.08572	1.9
109.02879	0.9
109.06468	1.6
109.10121	1.2
110.07150	0.8
111.04417	2.4
111.08052	7.0
115.05423	0.9
118.50402	0.7
119.04931	0.9
119.08549	6.8
120.08022	1.3
121.06542	1.2
121.10143	4.7
123.04425	1.4
123.08022	1.2
124.07552	0.9
127.03855	0.8
129.06952	6.7
129.10237	2.2
131.03679	0.7
131.08565	4.9
133.06462	2.6
133.10106	3.8
136.07610	0.8
140.07072	1.2
142.07742	1.7
145.10101	1.1
147.04344	1.3
147.08022	2.5
147.11670	5.9
148.07535	1.4
149.09584	5.4
154.11424	0.7
157.10081	8.9
162.42461	0.7
163.11119	1.6
165.12733	1.2
175.11165	12.0
183.14911	1.2
187.37839	0.7
193.12204	61.6
196.43050	0.7
196.92760	0.7
198.92393	0.9
199.18007	2.2
211.13153	4.5
215.49956	0.7
223.13191	0.9
235.13290	2.2
254.15199	0.8
259.13101	1.3
267.11401	1.1
267.15869	32.2
273.14709	1.1
285.16907	100.0
286.17331	2.4
295.10519	0.9
297.17200	0.8
299.18442	1.6
309.16898	7.7
313.11649	5.2
327.17969	1.6
341.11292	1.2
351.17896	1.5
363.18030	3.5
373.13864	4.0
393.18896	2.1
411.20386	1.2
429.20975	1.0
454.19391	0.8
482.18991	2.9
496.20657	1.1
514.17181	3.5
514.33588	1.4
515.18127	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	514.2138
Annotation	Zeatin riboside-O-glucoside
Peak:m/z	Relative Intensity
53.03928	0.6
55.01853	1.0
55.86140	0.4
57.03419	1.3
60.91646	0.4
61.02920	2.1
67.05483	1.4
69.03421	5.7
69.83343	2.4
70.06585	3.2
71.04985	0.4
72.08110	0.7
73.02895	1.0
81.03383	1.5
82.06580	0.5
83.01322	0.4
84.04474	0.6
84.08115	1.1
85.02890	9.4
86.09679	1.4
87.04453	1.6
91.03909	0.6
97.02879	4.3
99.04446	1.2
102.05502	0.4
109.02870	1.4
110.07123	0.4
115.03873	0.4
119.03539	0.8
119.04963	0.4
127.03899	3.0
129.10269	0.5
135.06641	0.9
136.06168	100.0
137.04538	0.5
137.06552	0.5
138.05464	0.9
145.04977	0.9
146.04642	0.6
148.06143	3.9
158.07030	0.5
159.06650	2.1
161.08199	0.4
165.89543	0.4
173.08240	1.1
175.09776	1.5
178.07217	1.0
179.03357	1.0
185.06561	0.8
185.08199	13.1
187.08513	0.5
202.10844	27.2
203.10928	0.4
213.29799	0.4
220.11903	68.8
221.12082	1.3
290.47791	0.4
298.11331	0.5
352.16068	5.9
382.17163	69.0
383.17361	1.9
450.16113	0.4
452.17917	2.7
476.93024	0.4
478.15973	0.7
510.13858	0.5
514.21362	45.0
515.21460	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04495	0.7
69.03424	7.7
69.07032	0.9
69.32392	6.3
70.06582	16.4
72.08140	2.1
84.04471	1.2
84.08114	1.9
85.02890	1.8
86.06056	19.1
86.09157	0.4
86.09695	16.7
87.04459	59.0
91.05485	0.9
94.56831	0.6
104.07092	100.0
117.07042	0.8
120.08025	0.8
121.14628	0.7
129.06976	0.6
129.10197	1.1
140.07010	0.8
145.06538	0.9
147.08060	0.7
160.05168	0.6
163.07521	1.2
172.05179	0.7
173.02325	0.8
173.05965	1.0
173.09181	1.1
175.07570	2.3
183.14954	2.1
185.05971	2.5
188.04662	12.5
199.18033	4.1
203.07007	37.3
204.07462	0.9
205.08675	1.9
228.27560	0.8
231.06494	40.5
249.07564	60.1
250.08102	1.3
286.17517	1.3
365.56683	0.6
411.12753	0.6
455.56607	0.6
502.78516	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3208
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83061	0.4
55.05508	2.7
57.07068	2.5
65.55878	0.4
67.05496	7.6
69.07056	3.2
70.06575	1.7
71.08616	0.8
71.63924	0.9
72.04495	0.8
72.08119	0.7
75.71974	0.5
79.05489	2.6
81.07048	6.8
83.01353	0.4
83.08594	1.7
85.10167	1.1
87.34624	0.5
88.07613	2.1
88.91909	0.5
89.06014	1.3
91.05477	2.8
93.07038	3.1
95.04965	0.5
95.08596	5.4
97.41795	0.4
102.09175	1.3
105.07018	2.0
106.23756	0.5
106.24788	0.4
107.08567	1.7
109.10146	1.4
114.09161	3.1
115.05438	0.8
117.07005	1.6
119.08558	1.0
120.73348	0.5
121.10143	0.9
128.06180	2.6
129.06970	5.9
131.04887	0.7
131.08548	2.0
133.10114	0.8
141.06998	0.9
144.05678	0.9
145.06456	4.2
147.08012	2.5
151.07552	1.6
157.06494	1.4
159.08023	6.3
161.05968	2.1
163.07553	2.2
172.05173	2.2
173.05962	2.9
175.07515	3.0
177.09145	0.9
183.07997	0.5
185.05956	0.9
187.07518	27.1
188.04655	0.5
189.09109	1.9
191.07060	3.2
193.08594	1.2
200.04674	5.9
201.05338	0.8
203.07018	7.3
205.04922	0.8
205.08601	1.3
213.05429	1.2
213.08955	0.5
215.07001	48.3
217.08543	1.3
219.06519	0.5
221.08034	1.2
227.06976	1.4
228.07889	1.0
231.06680	0.9
233.08020	4.5
239.06892	0.6
241.08588	0.7
256.26337	4.1
257.26678	1.9
267.69711	0.5
283.26349	4.1
284.26642	1.9
323.16516	0.6
400.39352	2.5
421.30710	0.6
449.30371	3.0
451.31924	0.8
467.31461	9.4
495.30997	100.0
496.31494	2.7
512.50385	7.1
513.32013	5.3
513.49634	9.6
514.46564	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3051
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84110	1.6
53.03934	3.7
54.16851	1.7
55.01861	2.7
55.05499	9.7
56.98123	1.8
57.03419	7.6
57.07081	2.5
60.85069	1.6
61.02906	11.5
67.05492	25.0
69.03401	5.3
69.07051	7.9
71.12875	2.6
71.13200	3.5
73.02903	5.1
79.05479	31.8
81.03403	8.9
81.07046	34.3
83.04986	2.8
83.08617	4.0
85.02885	11.2
85.06521	2.7
91.03932	3.9
91.05472	25.0
93.07027	45.3
95.04971	4.7
95.08589	22.5
97.02885	5.0
97.06541	3.2
105.07017	30.1
107.08575	27.9
109.06467	2.1
109.10142	9.2
111.08100	1.9
117.07007	7.6
119.08559	28.5
121.10140	20.6
123.11696	3.7
127.03902	3.0
129.06961	7.2
131.08531	14.6
133.10109	20.1
135.08052	2.5
135.11668	19.6
137.05930	2.6
137.09621	2.8
143.08571	7.6
145.10088	12.7
147.11665	19.4
149.13260	10.3
155.08467	1.9
157.10103	7.5
159.11665	11.2
161.13240	19.1
161.16620	1.8
162.47195	1.8
163.14787	3.2
165.30290	1.8
171.11687	7.5
173.13232	6.0
175.11266	2.4
175.14859	10.3
179.14264	4.2
183.11749	3.0
185.13205	6.8
189.12724	2.2
199.14760	5.2
203.14326	2.8
213.16423	2.0
217.19498	4.1
231.21051	4.4
241.19461	15.5
257.18973	2.5
259.20517	41.7
275.20276	2.5
277.21552	8.0
325.93591	2.0
333.24252	5.9
349.23712	4.0
351.25223	100.0
352.25510	3.4
363.25156	2.7
375.25412	4.3
385.23639	2.1
417.25751	2.4
421.27545	2.4
429.26535	2.4
441.26059	5.1
459.27521	3.6
477.28613	2.9
495.29651	6.7
513.31812	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	513.3052
Annotation	fusicoccin P
Peak:m/z	Relative Intensity
50.62912	2.7
53.03947	2.7
55.05488	8.3
57.03411	3.7
57.07078	2.7
61.02907	8.7
65.75557	2.5
67.05493	18.8
69.03400	5.3
69.07044	7.3
69.60475	6.6
69.60885	10.8
70.06578	3.7
71.05002	3.3
72.08137	2.3
74.19563	2.3
79.05482	26.7
81.03399	5.6
81.07038	32.5
83.08604	5.5
84.08146	3.4
85.02852	8.6
85.06514	2.7
88.42336	2.4
91.03940	5.4
91.05458	28.0
93.07024	38.9
95.04954	5.4
95.08590	23.5
97.02872	5.9
97.06544	2.4
99.08069	3.0
105.07010	23.0
107.08566	20.6
109.06514	3.3
109.10146	4.1
110.07117	3.2
117.07004	9.0
119.08566	24.4
121.06493	5.9
121.10126	17.7
123.11694	5.7
127.03843	3.3
129.07016	4.7
131.08549	16.6
133.10068	20.0
135.11661	16.8
142.08601	3.0
143.08438	3.6
145.10101	16.1
147.11664	22.4
149.13168	11.9
157.10062	8.1
159.11678	10.6
161.13243	17.6
163.14877	5.1
171.07840	2.4
171.11630	7.8
173.13246	8.8
175.14735	8.8
185.13228	9.7
199.14790	4.7
215.14462	4.1
241.19493	18.1
259.20499	44.1
267.15753	3.4
277.21567	7.2
305.63852	3.0
333.24167	8.1
351.25217	100.0
352.25528	3.6
415.26132	8.8
441.26389	5.3
459.27325	4.0
477.28375	5.2
495.29318	7.2
513.24200	9.4
513.31726	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	513.3052
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.6
55.01856	3.8
55.05501	11.8
57.03417	3.3
57.07063	3.5
61.02921	12.1
62.71223	2.0
66.02273	2.1
66.33714	2.1
67.05493	31.7
68.25346	2.0
69.02357	2.0
69.03413	6.7
69.07051	8.8
70.06600	2.7
71.04989	2.9
71.52050	1.9
73.02900	6.6
75.04456	2.0
79.05047	3.5
79.05482	32.7
81.03419	10.8
81.07044	29.7
83.08599	8.9
84.08125	2.5
85.02886	13.6
85.06518	3.0
90.18237	2.2
91.03936	7.6
91.05466	34.0
93.07034	40.8
95.04935	4.9
95.08594	20.4
97.02872	8.2
97.06532	2.8
97.10173	3.7
99.08068	3.2
105.07025	37.0
107.04922	3.4
107.08584	27.6
109.06497	2.7
109.10132	10.5
109.28461	2.2
110.07169	3.2
117.07007	11.8
118.06638	2.0
119.08569	38.3
121.06535	2.2
121.10123	18.3
123.08028	3.3
127.03926	3.4
128.06256	2.9
129.06970	6.9
131.08556	17.7
133.10114	26.2
135.08049	3.4
135.11685	23.1
143.08536	7.5
145.10133	16.2
147.11678	27.6
149.09575	3.4
149.13242	9.4
157.10068	10.5
159.11659	17.9
161.09698	2.6
161.13239	22.7
163.11223	3.4
163.14766	3.6
169.10146	4.5
171.11673	12.4
173.13284	11.6
175.14807	12.6
179.83769	2.4
185.13246	7.9
195.11571	2.6
199.14841	5.2
211.14708	2.5
213.16315	2.5
231.21057	5.1
241.19461	21.0
259.20526	48.4
275.20071	3.4
289.79126	2.9
313.21564	3.3
315.03333	2.9
325.20694	2.4
349.23441	3.6
351.25238	100.0
359.64081	2.2
375.25104	3.0
385.23962	4.1
402.44775	2.2
429.26331	2.4
441.26373	6.8
459.27267	5.2
477.28482	2.9
495.29648	6.7
512.51917	3.3
513.32123	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	513.2327
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10623	1.9
53.03935	5.4
55.01861	4.6
55.05497	9.1
57.03441	2.4
61.02919	3.3
67.05160	3.9
67.05499	37.4
68.99792	2.3
69.03429	11.7
69.07060	12.4
70.06567	9.6
71.04985	3.3
71.14825	3.3
71.15166	4.5
72.08146	4.5
73.02894	2.7
74.30286	1.9
79.05498	11.6
79.78135	1.9
81.03415	18.8
81.07045	14.9
83.04959	3.7
83.08602	2.1
84.08125	6.7
85.02894	30.5
85.06532	4.0
86.09705	6.3
87.00832	12.4
91.05476	9.4
93.07039	20.2
95.04940	16.6
95.08598	100.0
97.02872	18.2
97.06507	5.0
97.10139	5.1
99.04449	8.3
103.03954	4.1
105.01863	7.4
105.07022	16.0
107.04951	5.9
107.08587	15.9
109.02871	14.9
109.06494	4.0
109.10139	7.3
110.07201	2.7
111.04431	5.5
111.08063	3.0
117.01826	3.1
117.07014	3.5
119.08592	20.1
120.08092	3.6
121.06506	2.4
121.10145	10.0
123.04385	2.8
123.08057	27.1
123.11704	2.4
125.09608	3.2
127.03902	14.6
128.06168	4.6
129.01828	3.4
129.07005	4.9
131.08560	9.3
133.06454	4.5
133.10098	10.6
135.04456	2.8
135.08018	8.6
135.11667	4.4
137.09583	4.8
141.09077	4.5
143.08546	6.3
145.04958	4.6
145.10059	10.4
147.02911	2.6
147.08035	8.4
147.11684	8.2
149.09637	6.0
151.07532	45.3
151.11191	6.9
153.05432	2.4
153.09111	2.7
157.10124	5.6
159.02817	3.2
159.08101	3.1
159.11601	9.9
161.09578	6.8
161.13258	5.8
167.08641	2.2
169.10112	4.6
171.08054	8.7
171.11613	5.9
173.13257	4.7
175.11212	3.5
177.12788	4.3
185.09624	4.4
185.13359	2.6
187.11189	8.3
189.03918	7.5
189.09099	5.2
195.11783	2.6
201.16385	5.8
205.12364	3.1
223.13113	3.3
225.14673	4.9
229.15842	9.4
243.17471	3.2
247.16888	22.9
251.09644	2.2
265.17944	11.4
271.16824	4.2
289.17792	2.7
309.18341	4.9
337.18164	4.0
339.20181	2.6
355.19012	25.7
373.20123	4.0
384.97543	2.5
441.17862	2.2
459.20029	5.2
477.21179	6.1
495.15686	3.0
495.22342	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	512.4091
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72430	0.6
53.00323	0.6
53.18444	0.6
54.86588	0.7
55.05510	3.4
57.03410	1.0
57.07070	9.6
61.02916	0.8
61.95491	0.6
67.05487	5.3
69.03393	1.0
69.07061	5.8
70.06575	6.3
70.73003	0.6
71.08617	4.6
71.63647	0.8
79.05484	6.1
80.04993	2.1
81.07051	5.7
82.06580	0.6
83.08607	2.7
85.02869	1.3
85.10159	2.1
87.04462	0.8
88.07619	9.1
89.06020	6.1
91.05467	4.4
93.07032	4.4
94.06566	1.8
95.04942	1.0
95.07328	0.9
95.08595	4.8
97.02870	0.8
97.06526	1.0
97.10133	1.2
98.20672	0.6
98.98435	1.0
102.09164	7.2
103.05449	8.6
105.06979	4.5
106.08579	0.7
107.04935	4.4
107.08588	2.6
108.08091	1.6
109.10134	1.9
117.06982	1.0
119.08568	2.1
120.08059	3.6
121.10126	2.0
123.11643	0.9
129.07039	0.8
130.06508	2.7
131.04903	4.6
132.08081	3.1
133.08582	3.2
133.10126	1.4
145.10121	0.7
158.09615	0.7
159.11772	0.7
164.14310	5.1
165.21606	0.6
170.09605	1.0
177.11168	1.4
178.08572	0.8
178.15874	3.2
182.09743	1.1
192.17444	7.3
205.21465	0.7
206.19016	3.5
220.20541	7.4
228.10150	5.4
228.23228	2.0
232.97765	0.7
234.22098	2.8
236.16411	0.7
246.11188	2.3
248.23717	1.8
256.13361	0.9
256.26321	23.1
264.19583	1.4
274.27362	1.8
282.22617	0.7
283.26254	22.1
292.22757	1.5
311.29367	2.9
318.31509	17.5
320.33286	1.4
327.19913	3.9
330.24084	1.1
333.14996	1.9
340.29211	3.9
342.24277	1.0
347.12952	2.0
349.25290	0.6
422.37558	2.0
468.38287	73.9
469.38428	1.9
470.39758	1.7
494.29868	2.8
512.40845	100.0
512.50159	58.3
513.41168	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.2157
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	1.0
53.53829	0.7
55.01852	0.8
55.05508	1.2
56.44581	0.7
57.03428	0.9
57.07067	18.3
58.99571	1.5
61.01143	0.8
67.05499	4.7
69.03397	0.9
69.07059	7.5
69.85316	0.7
70.06582	11.7
71.04974	1.1
71.08614	3.7
71.62232	0.9
72.08134	1.8
73.02930	1.0
74.06063	0.8
77.00616	0.8
79.05480	16.2
81.07052	9.0
83.04961	0.9
83.08583	1.3
84.04498	1.6
84.08129	5.4
85.02888	4.8
85.06529	31.7
86.09686	5.1
86.99039	3.2
87.08079	1.2
91.05471	14.2
93.07023	10.2
95.04951	2.3
95.08598	4.5
97.01087	1.1
97.02891	2.0
97.06525	7.5
99.08109	0.8
105.03342	1.4
105.07014	10.9
107.04946	3.3
107.08583	6.2
109.06503	0.8
109.10172	0.9
110.07098	0.9
111.04462	1.0
111.08060	1.1
118.96162	0.8
119.04958	1.0
119.08597	4.5
120.08097	2.5
121.06499	2.2
121.10128	3.4
123.04411	10.1
123.11734	1.1
125.05982	3.3
127.03934	1.6
127.05799	4.4
127.08626	0.8
129.06975	0.8
129.10229	1.8
132.99513	2.4
133.06487	1.3
133.10165	1.1
135.11707	4.1
137.04216	1.3
137.05960	3.4
137.13200	1.2
139.05721	1.7
140.07051	1.5
145.10098	0.8
147.07947	0.8
147.11668	26.6
149.13248	7.1
151.05739	1.8
151.07553	1.4
155.05270	2.2
165.09056	1.8
165.12738	9.4
167.14410	0.9
175.11165	8.5
181.10379	1.3
183.04726	0.8
193.12224	32.5
194.12732	1.0
195.13799	1.9
201.05766	2.4
205.10423	1.6
207.08411	1.2
207.11934	1.5
211.13261	1.3
223.11455	6.4
233.09843	1.3
241.12459	1.2
251.10960	3.7
257.18433	0.8
257.48611	0.8
262.81549	0.9
269.12018	31.2
270.12500	1.0
286.17535	1.2
287.13083	36.8
295.10513	0.8
297.11490	2.0
315.12555	26.4
316.13071	1.2
327.13293	1.2
333.13614	100.0
334.13971	2.1
400.54752	0.8
439.17770	0.9
480.17511	1.6
512.15753	1.0
512.26233	1.5
513.18073	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.1806
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03917	0.4
54.21497	0.2
55.01844	0.4
55.05482	0.4
57.03397	0.3
59.47813	0.2
61.36436	0.2
67.05473	0.4
68.99750	0.2
69.03391	0.8
69.07053	0.4
69.57203	1.5
70.06560	0.5
73.02893	0.3
75.65105	0.2
77.83426	0.2
79.05457	0.6
81.03389	0.8
81.07001	0.6
84.08115	0.8
85.02885	1.9
87.00795	0.3
91.05460	0.4
93.06982	0.4
95.04993	0.2
95.08578	0.4
97.02856	0.6
99.04409	0.5
100.11186	0.2
103.42317	0.2
105.01830	0.4
105.07017	1.0
106.70929	0.2
107.04913	0.3
107.08516	0.3
109.02843	0.9
109.10160	0.2
110.07099	0.2
111.04362	0.2
119.08531	0.5
121.10097	0.3
127.03870	1.0
129.22957	0.2
131.08482	0.2
133.06458	0.8
133.10020	0.2
135.04379	0.3
139.34665	0.2
145.04930	0.4
147.04323	0.4
147.11679	0.3
149.09570	0.3
156.13730	0.2
159.02803	0.4
161.05959	6.3
163.03880	2.2
183.15729	0.2
189.05434	24.4
195.06433	0.2
207.06491	100.0
208.06871	1.0
233.44150	0.2
245.11621	0.3
250.45187	0.2
263.12741	28.8
264.13138	0.2
275.20013	0.3
315.08624	0.3
327.28320	0.3
339.45517	0.2
349.23645	0.4
419.09644	0.9
455.12097	0.4
510.40805	0.5
511.18018	6.1
511.29437	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.3631
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08226	0.7
55.05503	6.1
57.03415	3.1
57.07068	53.6
60.08143	1.4
61.02901	3.8
67.05495	12.7
69.03402	3.4
69.06717	1.0
69.07057	10.5
69.79759	2.6
69.80170	1.6
71.04977	0.9
71.08622	41.4
73.02900	1.3
75.04453	1.9
79.05482	1.2
81.03397	2.9
81.07049	20.1
83.08606	14.9
85.02898	8.8
85.10168	23.2
86.09695	4.3
89.06000	1.2
93.07030	1.3
95.08592	33.3
97.01501	0.8
97.02875	5.1
97.10155	8.5
97.33054	0.9
98.20795	0.8
99.04436	1.0
99.11700	1.5
103.07630	1.1
104.10717	7.6
107.04945	6.0
109.02813	1.8
109.10139	15.4
111.11691	2.6
117.82417	0.9
123.11689	7.5
124.99940	2.8
125.13239	1.3
127.03921	7.0
130.19589	0.9
137.13232	4.3
145.04962	4.3
151.14778	1.4
171.20177	0.8
184.07303	8.9
221.22604	1.7
239.23668	41.5
257.24670	4.0
298.27542	1.0
313.27319	100.0
331.28482	22.4
383.27841	12.9
401.28906	28.2
401.33469	0.8
492.33905	0.9
510.34970	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	510.4357
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	2.4
57.07067	33.2
61.01136	0.9
67.05516	1.1
69.07047	4.2
70.06541	4.6
71.08621	32.4
73.06554	6.6
81.07024	1.8
83.08605	6.0
85.10172	20.7
87.04434	3.9
89.06017	100.0
91.07586	1.8
94.28592	1.0
97.10171	5.9
98.20752	1.2
99.11707	2.7
107.07048	5.1
111.11706	2.5
117.09116	2.2
127.14796	1.3
130.08618	4.3
131.07008	1.4
133.08578	47.6
137.40666	1.0
155.17926	1.4
177.11191	21.5
195.12239	1.5
211.24182	2.9
221.13811	2.4
239.14828	4.2
255.26869	2.1
283.17447	23.9
299.29428	7.6
313.88562	1.0
343.32077	3.6
359.29596	1.1
449.38290	1.8
493.40952	34.7
510.42633	2.4
510.49518	1.9
532.68634	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.3537
Annotation	1-heptadecanoyl-sn-glycero-3-phosphocholine
Peak:m/z	Relative Intensity
55.05491	1.4
56.05012	1.4
57.03423	0.7
57.07064	11.9
58.06582	1.1
60.08152	15.7
67.05480	2.0
69.07044	1.4
69.37144	4.9
71.07357	4.8
71.08617	6.7
75.04475	0.9
81.07018	2.8
82.18381	0.5
83.08611	2.5
85.10162	4.5
86.09689	47.5
95.08584	4.9
97.10143	1.2
98.98444	3.3
104.10723	96.8
104.40488	0.5
109.10156	1.6
123.11684	0.6
124.99981	27.2
163.01556	0.7
184.07306	100.0
185.07739	0.7
239.23604	5.0
257.24612	0.6
258.10898	0.7
286.88129	0.5
313.27304	19.0
327.28958	1.8
331.28363	3.8
492.34451	9.0
510.35464	46.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.3592
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	1.9
56.05024	0.9
57.03425	2.5
57.07069	15.8
58.06594	1.3
60.07868	1.1
60.08156	17.6
61.02912	1.2
65.39462	0.6
67.05487	2.7
69.07050	2.2
69.75838	1.2
69.76254	3.3
71.07362	5.9
71.08627	11.5
79.05456	0.6
81.07052	5.4
83.08178	0.7
83.08597	3.9
85.02874	1.3
85.10173	5.4
86.09695	52.4
95.08585	6.8
97.10165	2.3
98.98440	3.1
99.11749	0.6
99.46019	0.6
101.72144	0.5
104.10732	100.0
107.08392	0.6
109.10165	2.9
123.11708	1.5
124.99986	28.0
128.99870	0.6
139.12392	0.6
184.07320	99.2
189.16661	0.6
192.05716	0.6
194.07628	0.5
204.29564	0.6
234.05547	0.6
239.23640	7.9
244.16505	0.6
254.57690	0.6
257.24835	0.8
258.11041	1.2
313.27325	28.9
327.28946	1.9
331.28448	6.2
492.34442	9.1
510.35480	47.6
511.35797	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.2847
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	1.1
55.45396	0.4
57.07057	2.4
65.03949	0.6
67.05479	1.9
69.07056	3.2
70.12179	0.5
71.08612	2.0
72.08120	0.5
79.05479	0.7
81.07035	2.3
83.08581	0.8
85.10163	1.0
87.04452	0.9
91.05469	10.6
93.07043	1.1
95.08593	2.9
106.06540	4.0
108.08083	1.1
115.05415	0.8
116.92937	0.5
117.05730	0.9
117.07009	1.5
118.06532	22.8
120.08092	3.2
121.06516	0.7
122.05936	0.6
125.66204	0.5
129.06953	0.8
130.06529	1.5
131.07285	1.1
132.08078	3.9
134.09628	2.3
144.08072	0.6
145.06459	1.2
146.05959	0.5
146.09627	4.2
147.07977	2.5
159.08047	0.7
160.11214	0.9
163.07481	0.9
170.47980	0.5
171.04420	0.6
173.05957	1.6
177.05469	1.7
191.07022	1.0
201.05498	0.6
203.07068	2.0
205.08560	1.6
225.94049	0.5
231.06506	1.4
244.20586	100.0
245.20999	1.8
249.07581	4.8
262.21634	65.5
263.22076	0.8
322.10867	1.0
336.12354	0.9
354.13171	2.2
492.27570	6.2
510.27869	0.7
510.37671	0.7
526.15344	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.3265
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	5.9
55.05487	20.6
57.03419	6.0
58.21830	4.5
62.06078	5.8
67.05495	45.2
69.03416	16.6
69.07056	18.7
70.06580	27.8
71.04980	9.8
71.08652	10.7
71.19357	12.0
79.05483	29.7
81.03408	12.3
81.07044	59.5
83.04974	9.0
83.08593	24.2
84.08124	16.8
84.71397	4.8
84.83031	4.5
85.02890	24.7
85.10162	5.1
86.09681	11.4
91.05457	20.5
93.07029	38.7
95.04923	6.9
95.08611	27.9
97.02843	9.8
97.06511	11.8
97.10144	15.8
99.08076	10.0
105.07004	13.6
107.04893	5.0
107.08582	31.3
109.06514	5.3
109.10143	16.4
111.04390	7.1
111.08051	8.6
117.06997	8.2
119.08540	10.2
121.06496	7.5
121.10084	14.5
123.11650	9.4
125.09613	15.9
127.03891	13.9
129.10237	7.4
131.08559	9.1
133.10085	21.6
135.08096	5.3
135.11662	21.2
147.11572	5.3
149.13249	32.3
151.11159	12.2
159.11574	10.0
161.13307	5.1
163.11133	8.8
165.12711	6.4
177.12720	10.6
189.11214	10.7
195.13782	80.5
213.14809	100.0
277.21570	61.9
279.11160	7.6
279.23102	15.9
295.22632	46.9
410.92697	6.6
510.27603	18.4
511.30554	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	509.2713
Annotation	Asn Thr Phe Lys
Peak:m/z	Relative Intensity
50.33827	0.3
51.95947	0.3
52.79815	0.2
55.01621	0.3
69.48809	2.0
88.71302	0.3
121.06493	0.4
123.66359	0.3
132.14323	0.3
132.15439	0.3
148.61414	0.3
177.24033	0.4
177.95895	0.3
179.07013	0.4
183.23839	0.3
185.04202	0.4
203.05315	1.0
259.07874	0.5
288.11325	0.3
322.30511	0.3
342.58698	0.4
354.60437	0.3
509.27167	100.0
510.27600	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2865
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.2
55.05500	11.0
57.03427	8.0
57.07052	1.5
62.11237	0.6
65.03916	0.9
67.05494	24.5
69.07053	15.1
69.40503	5.9
79.05476	7.1
81.06572	1.3
81.07037	24.1
83.08595	7.6
85.06516	0.7
85.10157	0.7
90.36879	0.7
91.05455	3.9
93.07028	7.5
95.08587	19.6
97.06521	0.7
97.10155	3.3
98.97842	1.3
98.98450	17.4
104.10735	1.2
105.07008	4.1
107.08579	3.7
109.10139	7.9
111.08043	0.8
119.08569	3.2
119.09369	0.7
121.10112	2.3
123.11697	2.6
133.10088	2.7
135.11676	2.0
137.09581	1.0
147.11664	1.0
155.01022	3.2
161.13202	1.1
163.14822	1.1
170.45609	0.7
173.02101	2.8
229.04680	0.8
245.22658	1.2
247.05818	0.9
263.23615	2.6
337.27292	100.0
338.27475	1.3
374.46939	0.7
473.26526	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	510.1942
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43447	0.9
55.55659	1.0
56.05020	2.6
56.96524	0.8
60.04519	5.1
60.05632	4.8
66.44783	0.9
69.00906	1.2
70.06590	10.6
71.62520	1.6
72.08153	1.9
73.07667	1.1
79.05479	1.5
83.06085	15.2
83.77071	0.9
84.04486	4.0
84.06858	1.2
84.08127	3.2
85.02897	2.2
85.06526	1.1
86.03528	5.0
86.09685	1.6
88.03978	1.1
97.07639	8.2
102.05526	1.9
105.03368	3.3
105.06606	2.8
106.79797	1.1
107.04957	1.5
110.07127	1.7
111.88959	1.0
112.07443	1.0
115.08671	2.5
120.01149	1.6
120.04462	8.8
120.08075	5.2
126.05495	1.0
129.10223	1.5
132.04431	3.4
134.05994	4.2
136.07597	1.1
141.06566	6.3
158.05960	1.8
160.85583	0.9
161.07043	1.9
166.08626	1.6
179.03377	1.6
179.92508	0.8
187.08574	1.9
199.07179	1.2
206.12897	1.0
209.11720	2.2
213.12254	1.1
216.11317	100.0
217.11647	1.8
231.11325	1.6
232.10802	1.1
233.00652	1.0
234.12334	36.8
234.14670	1.8
260.10272	10.8
277.11810	2.6
278.11368	2.5
288.13336	1.5
293.94583	0.9
317.15964	3.1
319.14465	1.3
319.17654	4.0
331.12265	1.2
345.14996	0.9
348.14529	6.5
363.16592	87.3
364.16873	2.3
381.17584	2.5
389.14505	2.8
510.23160	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	509.2354
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05499	1.8
69.07053	2.0
69.27064	6.0
69.27487	4.6
70.06591	1.3
71.04981	4.6
79.05509	1.5
81.07052	6.4
81.64672	1.0
84.04448	1.0
84.08128	1.2
89.05983	0.8
91.05457	1.8
93.07006	1.4
95.08601	5.6
105.07025	1.4
107.08577	1.5
119.08595	1.4
121.06459	3.1
170.75407	0.9
203.05280	2.1
227.05362	1.1
234.29308	1.0
239.84943	1.1
243.04628	1.1
245.06310	7.6
271.04172	1.2
287.03644	9.5
289.05264	100.0
289.25800	1.0
337.02441	1.0
406.25684	1.1
465.24506	6.6
507.93445	1.2
509.23468	98.6
510.23264	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2373
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	3.3
57.07055	3.1
63.11656	1.5
64.28342	1.4
67.05499	7.1
69.07040	7.2
70.06580	2.6
70.11283	6.4
72.59417	1.2
79.05480	2.4
80.03041	1.2
81.03385	1.7
81.07033	4.3
83.04983	1.7
83.08593	1.7
84.08111	3.9
91.05472	3.0
93.07034	2.5
95.04965	1.8
95.08578	3.1
103.05434	13.3
105.07076	1.3
105.31844	1.3
109.10132	3.9
111.04448	1.3
117.07011	4.2
119.08587	2.5
120.08094	2.2
121.06529	1.4
123.04381	2.9
130.61835	1.3
131.04901	34.7
131.08589	2.4
132.83519	1.4
135.11697	1.4
141.72858	1.4
143.04865	1.5
145.06450	10.5
149.05956	100.0
150.06339	2.2
159.04376	2.0
161.05972	3.7
163.03876	2.3
163.07483	19.0
173.05971	5.7
174.82037	1.5
175.03998	1.6
177.05399	3.2
187.03819	1.9
187.07568	2.0
189.05396	2.6
191.06973	3.4
200.04637	6.4
201.05336	1.5
201.09094	2.9
261.18475	12.1
271.16977	7.3
289.17990	7.5
299.16455	8.9
317.17419	44.4
370.26349	1.5
494.60818	1.9
509.27747	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.3393
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	1.2
55.05257	1.4
55.05504	16.9
57.03426	2.8
57.07066	7.2
62.06081	34.2
65.03922	1.4
67.05492	14.0
67.22148	1.2
68.05821	0.9
69.07059	21.7
69.67455	7.5
71.08611	4.3
79.05466	4.3
81.07040	15.5
83.08606	13.7
85.10169	2.8
91.05473	6.0
93.07054	6.6
95.04958	10.4
95.08588	13.3
97.06480	1.4
97.10150	8.3
98.06033	3.4
98.98434	7.1
105.07008	1.9
107.08567	4.0
109.06487	1.2
109.10139	8.2
111.08025	1.3
111.11738	1.5
113.09711	1.0
118.06513	7.4
119.04925	14.0
121.06452	1.0
121.10146	4.8
123.04417	18.0
123.11678	3.5
124.01586	1.9
131.08501	1.1
132.08049	2.5
133.08859	1.3
133.10098	1.6
135.08080	1.2
135.11671	2.5
137.13211	1.4
142.02600	1.5
145.09981	1.5
146.09612	5.6
147.04366	7.6
149.13271	2.6
155.01016	9.1
159.11740	1.0
159.47072	1.1
165.05446	4.0
167.10622	1.1
171.11641	1.5
173.02054	1.2
173.13225	1.2
198.05185	1.5
216.06258	4.2
229.14276	1.2
233.15605	1.2
234.22168	1.4
275.27371	1.2
277.91779	1.3
293.28415	4.0
319.44830	1.0
336.32559	11.0
344.33075	61.4
346.34653	1.7
349.30804	1.2
365.35867	1.3
367.32022	100.0
368.32202	2.0
430.76010	1.1
447.28558	8.0
464.37292	7.9
490.32455	6.8
508.37912	75.2
509.37595	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.316
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	2.5
55.05509	10.3
57.03424	4.1
57.07063	4.6
60.83323	2.2
61.02937	2.2
64.13817	2.2
65.03931	3.6
67.05502	34.9
68.13335	2.1
69.07062	17.3
70.06580	3.0
71.04993	3.0
71.08604	3.2
71.62679	2.7
79.05471	10.1
81.07048	43.9
83.08608	9.2
85.02913	4.3
85.06517	3.8
91.05474	11.3
93.03482	2.4
93.07036	15.0
95.04985	2.7
95.08595	34.3
97.10158	3.5
99.08089	3.1
103.03925	2.7
105.06995	7.3
107.04958	2.2
107.08584	8.0
109.02076	2.1
109.10157	15.2
111.08067	2.8
113.09604	2.4
119.08561	8.9
121.06463	2.7
121.10128	7.8
123.11704	8.1
133.10091	9.7
135.11673	9.3
137.09637	2.4
137.13213	8.1
147.11642	7.0
151.14836	3.9
153.12778	3.8
161.13214	7.4
163.03891	3.7
173.02214	2.2
217.19481	22.1
235.20528	32.7
309.24365	11.2
315.15942	6.7
327.25278	100.0
489.30096	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	508.2016
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20665	0.2
57.37984	0.3
57.93040	0.2
70.05898	0.3
71.30698	0.6
71.36433	0.2
73.00738	0.2
79.05489	0.6
85.02879	0.5
91.05460	0.5
93.07024	0.9
103.05453	5.0
107.04935	1.8
120.08080	100.0
121.08424	1.0
127.03916	0.4
131.04872	2.4
145.04892	0.4
149.05971	2.2
166.08603	56.6
167.09010	0.6
234.03558	0.2
282.80286	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.2677
Annotation	Cytochalasin M
Peak:m/z	Relative Intensity
55.05305	0.8
55.05504	9.5
56.05024	1.5
57.07080	1.5
58.36036	0.8
58.99573	17.3
61.01139	1.1
67.05490	24.4
69.07054	5.6
70.06563	2.9
70.81397	1.5
70.81792	1.8
71.04987	6.5
71.08656	0.8
71.64344	0.7
72.08135	1.9
73.01118	1.1
76.02212	11.9
76.04000	4.1
79.05472	2.9
81.07040	26.3
83.06081	2.8
83.08606	12.4
84.04488	9.8
84.08107	1.9
85.02899	1.0
85.06519	2.3
86.09698	3.6
86.99036	11.7
87.02671	1.9
88.02193	3.4
91.05457	0.9
93.07021	2.0
95.08588	35.5
97.10154	4.2
98.20760	0.8
99.05568	1.0
101.04204	0.9
101.77600	0.7
103.03907	1.4
107.08554	2.7
109.10139	28.2
113.04240	1.7
116.01656	58.3
120.08049	1.2
121.10104	1.0
123.11700	6.5
126.12738	0.9
127.03947	1.4
129.06566	7.0
129.10239	1.0
130.04971	3.3
141.66492	0.8
142.03175	4.4
144.01123	29.9
145.06052	2.3
149.22701	0.8
162.02170	100.0
163.02451	1.4
163.06001	0.9
163.14815	1.0
165.16327	2.8
170.02716	1.7
179.04854	1.4
183.17409	3.5
187.05457	0.9
191.67717	0.9
201.18463	7.2
215.14600	1.0
233.05840	0.9
241.16185	4.8
245.05934	0.9
253.33740	0.8
259.14542	1.0
259.17212	15.5
274.56723	0.8
276.19897	1.2
344.18872	7.8
361.21429	2.4
362.19891	33.6
379.22552	43.7
433.23608	24.0
433.29645	1.4
490.25726	2.1
491.23981	2.0
508.26859	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	507.2713
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17054	0.6
53.03931	1.6
55.05262	0.7
55.05507	8.7
56.97945	0.6
57.03427	7.8
57.07064	1.6
58.88197	0.6
60.57054	0.6
65.03936	0.8
67.05495	31.6
69.07061	7.7
70.38615	1.7
70.39017	1.5
71.04977	1.2
71.08659	0.7
72.17950	0.7
77.99458	0.6
79.05480	19.5
81.07043	27.0
83.04969	1.3
83.08598	3.3
91.05467	8.4
93.07030	20.9
95.04942	2.4
95.08595	22.9
97.06509	0.9
97.10159	1.9
98.98450	24.8
105.07017	7.8
107.08579	10.7
109.10143	8.7
111.08070	0.8
117.06991	2.5
119.08565	5.3
119.66528	0.6
121.10132	8.9
123.11668	2.8
131.08562	2.9
133.10121	5.4
135.11681	5.4
136.92023	0.7
145.10136	2.2
147.11664	2.0
149.13219	2.6
155.01018	5.8
159.11697	2.3
161.13235	2.6
163.14766	0.9
173.02080	3.1
173.13248	2.3
187.14745	0.9
229.04620	1.2
243.21001	2.7
247.05727	1.9
261.22128	5.5
317.24707	2.1
335.25748	100.0
336.25974	2.1
471.24936	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2712
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.5
53.13740	0.8
53.52374	1.0
55.05498	8.9
57.03418	7.0
57.07046	1.2
58.59046	0.8
65.03921	0.9
67.05492	32.4
69.07052	9.3
70.07500	3.2
70.07930	1.7
79.05477	20.1
81.06566	2.1
81.07040	30.0
81.17595	1.0
83.08602	4.5
91.05457	13.8
93.07027	24.3
95.04958	2.0
95.08591	26.1
97.06499	1.0
97.10155	1.7
98.98450	37.7
105.07001	8.8
107.08581	14.7
109.10150	9.8
111.08043	1.0
116.99498	1.2
117.07014	4.0
119.08558	9.6
121.06492	1.4
121.10114	12.2
123.08022	1.6
123.11697	3.7
131.08588	5.0
133.10132	5.8
135.11638	6.4
141.26912	1.0
145.10115	4.6
147.11670	4.2
149.13258	3.8
151.11098	1.1
155.01007	14.7
159.11688	2.8
161.13260	3.9
162.56543	1.0
163.14819	2.3
173.02080	5.5
173.13223	3.2
175.14821	2.0
175.70218	1.2
177.16582	1.1
229.04709	2.0
243.21089	5.1
247.05737	3.5
261.22092	9.0
306.51962	1.0
314.64737	0.9
317.24777	6.3
335.25745	100.0
336.26114	2.7
410.17474	0.9
471.25323	5.0
508.35526	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.4559
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86016	0.4
54.44965	0.4
55.05420	1.9
57.06983	2.4
67.05403	2.5
68.04938	0.6
69.06966	4.9
71.08521	1.5
73.02839	1.0
73.06481	0.9
79.05384	1.2
80.04903	1.7
81.03319	0.5
81.06945	2.9
82.06496	0.7
83.08502	1.5
85.10100	0.9
86.09591	1.1
87.04336	1.3
88.03875	1.6
91.05401	0.9
93.07024	2.5
94.06535	2.2
95.07255	1.0
95.08488	3.2
96.08012	1.1
97.06447	0.6
97.10094	1.0
102.05454	0.7
104.07019	0.5
105.06921	1.3
107.08481	1.1
108.08000	1.7
109.10049	1.0
119.08495	1.0
121.10027	0.9
122.09599	0.6
124.11161	0.7
133.10005	0.9
135.11497	0.8
136.11043	0.6
166.08488	0.8
178.15790	0.6
179.43756	0.5
192.17451	6.7
194.11699	2.9
199.14700	0.5
206.19008	4.9
208.13246	0.5
212.12648	0.6
217.85457	0.4
220.18611	0.6
220.20573	9.4
222.14731	1.3
222.22072	0.7
234.22078	5.0
236.23615	0.5
248.23672	3.0
250.25113	1.3
262.25223	0.8
276.26843	0.6
278.28192	0.8
294.24051	0.5
296.25711	1.8
306.24020	0.5
308.25681	0.4
320.25656	1.7
324.28766	0.7
346.34613	16.3
347.35272	0.9
348.28812	1.5
350.00803	0.4
360.36145	0.6
374.37842	0.8
382.95786	0.4
403.39102	0.6
406.36719	2.4
416.42520	1.0
443.11038	0.4
460.41528	1.2
462.42969	72.7
463.43518	1.6
464.44846	1.2
506.45605	100.0
507.34567	0.6
507.46005	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	506.4564
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03896	0.2
55.05498	1.8
56.04987	0.5
57.07016	1.4
57.59795	0.2
67.05495	2.9
68.04974	0.5
69.03366	0.4
69.07056	2.2
69.88773	0.3
69.89061	1.1
70.06535	0.9
71.08572	0.7
79.05482	1.5
80.05003	5.1
81.03395	1.2
81.07046	2.4
82.06512	0.7
83.08603	1.4
84.04448	0.3
84.07375	0.2
85.10148	0.5
86.05999	0.8
86.06458	0.2
87.04457	12.3
91.05442	0.4
93.07021	1.8
94.06567	1.2
95.04901	0.3
95.07294	0.4
95.08583	2.1
96.08105	1.9
97.10102	0.6
98.06043	2.8
101.37492	0.2
105.06976	0.5
107.08598	0.9
108.08099	1.5
109.08849	0.4
109.10091	0.6
110.09602	0.3
112.07543	0.4
114.05495	0.2
116.07048	0.3
118.06477	0.2
119.08533	0.5
121.10078	0.8
122.09596	0.7
123.11710	0.2
124.07500	0.7
131.08539	0.3
135.11627	0.4
136.07535	1.3
136.11147	0.3
142.08582	0.5
145.09984	0.2
149.13148	0.2
150.09070	0.4
154.08598	0.3
166.07210	0.3
166.08620	6.2
180.10155	1.3
181.10898	0.8
182.11713	0.9
184.09622	1.3
194.11729	3.4
195.12424	0.7
199.85300	0.2
208.13234	0.6
208.20586	0.4
209.50797	0.2
220.20554	2.8
222.22124	0.7
234.22118	4.0
236.16405	0.2
236.23663	0.8
248.23737	1.3
250.25281	0.3
262.25247	0.3
290.24707	0.3
292.22565	0.3
294.24319	0.3
296.25684	1.4
306.24127	2.2
308.25827	0.8
319.31796	0.2
320.25836	3.4
322.27325	0.7
336.28766	0.5
338.35211	0.2
374.37784	3.5
376.39346	5.6
380.37668	0.2
460.41315	0.6
462.42999	80.9
463.43338	1.7
464.44653	0.6
506.45630	100.0
507.34500	1.5
507.45975	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.4562
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26088	0.3
54.13593	0.2
55.05429	1.6
56.04953	0.8
56.05210	0.3
57.06989	1.0
58.97644	0.2
59.13771	0.2
67.05408	2.2
68.04957	0.5
69.03368	0.2
69.06969	4.0
70.06525	0.5
70.08533	1.3
71.08555	0.7
73.06464	0.7
79.05388	1.2
80.04916	3.1
81.03307	0.7
81.06957	2.6
82.06502	0.6
83.08521	1.0
85.10110	0.4
86.05979	0.4
86.09597	0.8
87.04357	4.8
88.03879	0.3
91.05367	0.6
93.07036	1.8
94.06550	1.4
95.04887	0.4
95.07262	0.6
95.08588	1.9
96.08109	1.4
97.10043	0.8
98.05933	1.4
98.09641	0.5
98.21374	0.4
105.06950	0.5
107.08463	1.1
108.08099	1.4
109.08830	0.4
109.10030	1.1
111.11639	0.3
116.10610	0.3
119.08504	0.5
119.18141	0.2
121.10039	0.7
122.09547	0.8
124.07500	0.5
133.10103	0.3
135.11606	0.5
136.07468	0.5
136.11115	0.4
140.10573	0.3
141.02374	0.3
150.12759	0.3
156.72018	0.2
166.08612	2.4
166.12157	0.3
180.10085	0.7
182.11620	0.5
182.18964	0.3
184.09625	0.5
186.11078	0.5
192.17439	3.0
194.11771	3.7
195.12323	0.3
206.17445	0.2
206.18994	2.5
208.13231	0.5
208.20540	0.4
212.12663	0.7
220.18591	0.4
220.20554	6.6
222.14775	0.9
222.22060	0.6
234.22133	3.9
236.16240	0.3
236.23767	0.4
243.87138	0.3
248.23721	1.6
250.25316	1.3
262.25214	0.5
276.26871	0.4
278.28262	0.6
292.22519	0.3
296.25803	1.7
306.24146	0.8
320.25821	2.0
322.27359	0.5
324.28925	0.5
334.27283	0.6
336.28757	0.3
346.34601	7.3
347.35025	0.5
348.28693	0.3
348.36212	0.8
357.95142	0.3
360.35999	0.3
374.37802	1.7
376.39249	2.7
377.11218	0.3
387.61853	0.2
416.42664	0.7
460.40872	0.5
462.42993	74.7
463.43457	1.6
464.44839	0.6
506.45630	100.0
507.34650	0.7
507.46014	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.3987
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02359	0.3
53.03934	0.5
55.01850	0.2
55.05492	0.6
56.05026	0.3
56.52094	0.2
57.07060	0.6
62.27713	0.2
67.05486	1.0
69.07053	0.6
69.94348	1.0
71.08621	0.4
73.05720	0.2
76.56969	0.2
79.05485	9.4
80.05014	0.3
81.03417	0.4
81.07015	0.8
83.08581	0.3
85.10137	0.2
86.09668	0.4
87.04443	0.7
91.05463	0.4
93.07020	0.9
95.04942	1.0
95.08580	0.7
98.20856	0.3
103.05455	18.9
105.07010	2.0
106.19717	0.2
107.04939	10.4
107.07298	0.2
107.08559	0.2
118.06527	3.7
119.08589	0.3
120.08038	0.4
121.06474	0.8
121.10110	0.4
131.04916	5.5
131.07298	0.3
132.08072	2.3
133.08830	0.7
144.08078	0.3
146.09619	4.8
149.05891	0.3
153.75929	0.2
157.10129	0.2
158.11794	0.3
160.11151	0.9
165.07874	0.3
166.08611	0.3
176.06989	0.3
188.14322	0.4
190.08559	0.5
194.11710	0.3
198.54842	0.2
202.15881	0.5
204.10165	0.3
216.17429	0.5
220.20580	0.3
230.19002	0.3
232.20473	0.4
244.20648	0.4
246.22134	0.4
258.22064	0.5
266.11667	0.6
268.03735	0.2
278.28860	0.2
280.13333	0.7
283.21698	0.2
286.25122	0.2
294.14783	1.2
296.25754	0.3
306.24185	0.3
316.22375	0.3
330.24554	0.2
342.31525	0.3
358.34634	23.1
359.34933	0.6
376.39380	0.4
462.43018	4.9
479.47412	0.3
506.39786	100.0
507.33340	0.3
507.40189	4.7
507.46948	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.4562
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05444	2.6
56.04980	0.6
57.03371	0.5
57.07011	2.0
58.60005	0.4
67.05431	2.9
68.04969	0.9
69.07058	2.7
69.70992	1.4
69.71416	1.5
70.06542	0.8
71.08575	0.8
72.08099	1.0
73.06505	0.7
75.49171	0.4
79.05418	1.7
80.05008	2.8
81.03360	0.9
81.07050	3.0
82.06499	0.7
83.04932	0.6
83.08541	1.8
84.04435	0.5
84.08060	1.1
85.10138	0.4
87.04453	4.7
87.30915	0.4
91.05391	1.1
93.07026	2.6
94.06493	0.8
95.08592	2.4
96.08057	1.4
97.10101	1.0
98.06052	2.5
103.05367	0.6
104.07103	0.5
105.06950	0.4
107.08479	1.7
108.08040	1.5
109.08826	0.6
109.10070	1.4
110.09574	1.1
112.07545	0.5
119.08507	0.8
121.06435	1.3
121.10048	0.5
122.09581	1.2
124.07529	1.1
130.08559	0.6
133.10071	0.5
134.09659	0.5
136.06094	0.6
136.11145	0.8
150.12640	0.4
152.10590	0.7
159.51025	0.4
166.08577	1.7
180.10190	3.1
181.10902	0.4
182.11723	0.4
192.17439	3.8
194.11655	1.3
196.13271	0.5
198.11183	0.8
206.19022	3.3
208.13200	0.8
214.82364	0.5
220.20566	3.4
221.15509	0.4
222.22066	0.8
223.58522	0.4
234.22130	3.1
236.23643	0.9
248.23688	3.0
262.25275	1.6
264.26642	0.4
278.28354	0.6
290.28644	0.5
291.70151	0.4
292.22617	0.7
294.24463	0.5
296.25815	2.6
304.29803	0.4
306.24249	1.1
308.25690	0.5
310.27164	0.6
320.25742	1.0
324.28937	0.9
334.27277	0.5
346.34680	0.5
348.29007	1.0
360.36154	6.6
361.36847	0.5
374.37823	1.6
376.39279	1.4
386.37692	1.4
416.35291	0.7
416.42288	1.3
442.36749	2.8
462.43024	64.0
463.43430	1.4
464.44708	1.0
506.45648	100.0
507.34506	0.8
507.46051	1.9
521.29431	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.3986
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.6
57.07055	0.5
61.67097	0.2
63.46783	0.2
66.31323	0.2
67.05481	0.6
69.07027	0.4
69.49524	0.3
69.49928	1.7
77.03923	0.3
79.05482	8.6
80.05000	0.4
81.07032	0.4
83.08602	0.3
87.04444	0.3
91.05466	0.3
93.07017	1.0
94.06525	0.2
95.04950	0.8
95.08614	0.3
103.05454	16.7
105.07007	1.8
107.04939	8.7
118.06523	3.7
120.08097	0.4
121.06472	0.6
128.52780	0.2
131.04915	4.9
131.07216	0.3
132.08072	1.8
133.08823	0.6
146.09622	3.7
149.05975	0.3
155.10233	0.3
160.11244	0.7
174.12830	0.4
176.07059	0.4
178.00101	0.3
188.14322	0.4
190.08612	0.3
192.17430	0.4
194.11739	0.6
202.15887	0.5
212.12852	0.3
216.17459	0.2
220.20612	0.5
230.19002	0.4
234.22075	0.4
244.20592	0.6
246.21999	0.3
249.55914	0.2
258.22147	0.5
266.11694	0.9
280.13275	0.3
294.14914	1.2
296.25662	0.4
316.11774	0.2
346.34659	0.9
358.34634	22.9
359.34808	0.8
376.39304	0.3
462.42975	5.7
506.39764	100.0
507.40109	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	506.3315
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	7.6
55.01874	4.8
55.05500	12.3
57.03405	10.6
57.07066	65.9
67.05491	34.3
69.03394	6.1
69.07060	12.1
69.97662	27.7
70.06566	17.8
72.08149	6.9
79.05478	59.9
81.03399	13.5
81.07045	39.8
83.04968	10.2
83.08598	7.3
84.04491	9.5
84.08124	15.9
84.82629	5.2
85.02883	12.1
85.06055	7.5
85.06532	84.6
86.09692	20.6
87.00825	6.0
91.05485	23.6
93.07032	46.8
95.04952	11.8
95.08586	22.8
97.02879	14.7
97.06530	10.6
98.21475	6.5
100.64614	5.4
105.06987	14.0
107.04935	55.1
107.08550	18.6
109.10143	7.9
110.50076	5.1
111.08085	7.2
112.70706	4.9
117.06992	7.1
119.08554	7.8
120.08042	7.3
121.10121	32.4
125.09612	5.7
127.03905	6.5
129.06956	6.9
129.10179	5.5
131.08569	17.0
133.10092	7.9
135.11736	6.2
137.09624	5.7
139.07533	22.7
145.10216	7.5
149.09613	18.1
149.13226	10.7
159.11664	6.6
163.11192	7.8
165.09067	12.5
223.13261	52.8
241.14278	23.9
269.17377	19.6
325.21603	5.4
417.26208	15.7
432.93127	5.6
435.27448	100.0
506.19119	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	506.3237
Annotation	LysoPE(0:0/20:2(11Z,14Z))
Peak:m/z	Relative Intensity
51.75990	0.8
52.86267	0.7
55.05507	11.4
57.03418	3.4
57.07074	3.7
62.06082	36.9
63.50430	0.7
65.03916	1.0
66.91954	0.6
67.05496	28.8
69.06715	1.2
69.07061	13.4
71.08629	2.1
71.33231	0.7
71.33572	1.6
72.04511	0.9
73.02959	0.8
79.05480	8.0
81.03384	1.6
81.07046	27.9
82.07429	0.8
83.08600	7.8
85.10156	0.9
91.05466	3.1
93.07037	8.1
95.04978	0.8
95.08597	25.8
97.06494	1.3
97.10165	5.5
98.06055	1.1
98.98455	7.7
101.25592	0.8
105.06998	2.2
107.08578	6.7
109.10145	8.1
111.11700	1.8
111.64071	0.8
119.08578	2.3
121.10142	6.6
123.11697	2.8
123.28531	0.9
124.01649	1.5
124.57802	0.7
125.09614	1.2
126.09922	0.8
133.10086	1.9
135.11687	3.2
137.13261	1.2
142.02654	1.7
145.10069	0.9
147.11661	0.9
149.02261	1.1
149.13223	1.1
151.14801	0.8
155.01045	7.1
160.00822	0.7
173.02162	1.3
175.14697	1.0
177.16364	1.1
181.15929	1.0
195.00281	4.2
198.05312	2.3
216.06284	4.2
236.50775	0.9
273.25763	1.8
291.26831	6.9
334.30969	10.9
347.29297	1.8
365.30463	100.0
366.30743	2.0
445.27014	2.3
488.31250	8.2
506.25250	1.7
506.32285	5.8
506.39166	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	506.3318
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.5
55.01848	1.5
55.05505	12.2
57.03425	9.6
57.07068	9.2
57.87987	1.2
61.02914	4.6
65.03923	3.2
67.05494	66.3
68.05817	3.5
69.07053	15.4
70.06559	1.6
70.45142	2.9
70.45464	1.7
71.04996	3.2
71.08626	3.7
73.02896	1.6
77.96333	1.1
79.05481	19.5
80.05813	1.6
81.07043	72.7
82.07392	2.7
83.04971	1.6
83.08600	7.9
85.02905	4.9
85.06528	4.0
91.03976	2.5
91.05460	18.0
93.07029	25.6
94.07370	1.9
95.04943	3.1
95.08591	55.8
96.08872	2.2
97.02866	1.4
97.06504	6.9
97.10118	6.3
98.98460	12.3
99.08075	5.5
105.07026	13.9
107.04944	3.0
107.08569	14.9
109.06472	2.0
109.10132	21.2
111.08070	3.3
111.11694	3.7
113.09638	6.4
117.07001	2.4
119.08562	15.0
121.06516	5.4
121.10136	17.7
122.06799	1.6
122.10451	1.8
123.11692	13.5
123.12468	1.8
125.09685	2.3
127.11211	4.7
129.05498	3.9
131.08658	1.3
133.10115	14.5
135.11671	16.3
137.09563	1.3
137.13194	14.0
139.11134	1.9
142.62711	1.5
147.11665	12.2
149.13235	6.0
151.11195	1.7
151.14790	13.3
155.01100	1.4
159.11562	1.4
161.13255	14.8
163.14857	1.3
173.02101	2.3
175.14830	6.6
189.16397	3.4
217.19478	71.8
218.19922	2.6
223.42384	1.1
235.20529	100.0
237.22032	2.1
253.21509	2.1
256.16925	3.3
309.24222	22.1
327.00775	1.4
327.25256	4.8
333.24133	4.2
334.24564	31.0
335.25754	14.1
426.28708	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	6.2
53.88314	1.5
55.01860	6.0
55.05256	1.8
55.05506	17.1
57.03428	4.3
59.51942	1.4
61.02916	4.0
67.05486	6.6
69.03418	35.2
69.07052	3.7
70.06577	4.6
70.76010	2.4
70.76389	4.8
71.04977	5.9
73.02912	4.6
79.05474	9.0
81.03402	15.7
81.07049	8.7
83.04971	23.5
84.08147	1.8
85.02896	91.5
86.09691	3.9
87.00822	27.9
87.04436	1.5
90.89031	1.5
91.05467	4.8
93.07030	13.6
95.04962	6.0
95.08587	12.2
97.02878	25.3
97.06512	9.6
99.04447	11.1
99.08079	13.7
105.01855	65.5
105.07015	11.0
107.04950	3.3
107.08554	7.5
109.02116	2.4
109.02862	32.8
109.06504	11.6
109.10156	9.4
111.04482	1.9
113.05992	6.5
119.08570	17.5
121.06487	5.8
121.10123	17.0
123.08060	22.7
125.05984	14.3
125.09609	2.2
127.03900	58.1
127.07504	4.4
129.05452	3.2
129.06976	2.1
129.10236	2.6
129.73387	1.7
135.08028	8.7
135.11707	4.5
137.05948	3.2
137.09590	14.9
139.11140	1.6
141.09131	2.1
143.07013	7.3
144.09309	1.9
145.04942	28.7
145.10094	7.4
147.08041	16.8
148.08878	2.2
151.07567	2.3
155.07039	2.8
159.02863	8.4
159.11681	18.6
161.09605	4.3
163.11166	48.2
165.09108	33.6
167.07019	3.9
169.09969	1.9
172.08827	2.4
175.11133	2.1
177.12740	11.1
181.12221	4.0
187.11107	11.5
189.04022	2.4
205.12215	86.2
206.12599	1.9
213.03934	6.3
223.13260	100.0
230.72763	1.5
231.04999	35.5
249.06050	21.7
274.18140	1.9
280.68018	1.6
453.17227	1.9
471.18573	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.2893
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	15.0
57.07067	5.5
57.98782	1.4
58.99574	16.7
59.57000	1.1
61.01125	2.2
65.15981	1.0
67.05482	3.2
69.06715	1.5
69.07064	27.5
71.08631	2.2
73.01112	1.5
76.02219	9.8
76.03970	3.9
81.07053	2.4
83.06075	2.2
83.08602	18.0
84.04497	8.7
84.08110	1.2
85.10169	1.3
86.09708	1.0
86.99046	12.6
88.02190	3.6
93.07043	1.2
95.08592	2.9
97.10156	13.7
99.05570	1.5
111.11691	6.2
116.01660	52.5
125.13254	2.4
127.03700	1.1
129.06589	2.8
130.05031	2.3
142.03163	4.6
144.00096	2.0
144.01132	23.8
145.06026	1.1
162.02182	100.0
179.04753	1.6
199.20439	1.4
238.63161	1.2
257.19308	19.9
274.22055	1.4
360.22012	41.1
377.24646	19.5
431.25650	16.2
506.28909	8.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.3235
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99000	0.2
55.05492	0.4
56.05030	0.3
57.03434	0.2
58.06593	0.3
59.07392	0.2
60.08156	6.2
66.26818	0.1
67.05500	0.8
69.07043	0.3
69.52573	1.2
69.52983	0.3
70.22117	0.2
71.07364	2.7
79.05489	0.4
81.07053	0.7
86.09695	29.1
91.05452	0.5
93.07020	0.5
95.08574	0.5
98.98449	2.3
103.05428	0.2
104.10725	2.5
105.07020	0.2
109.10137	0.2
121.06487	2.4
122.06836	1.0
124.99989	18.8
131.04968	0.4
137.05905	0.4
137.33141	0.2
143.01027	0.3
145.02812	0.2
184.07317	100.0
185.07727	0.4
246.13016	0.2
250.58659	0.2
258.10971	0.2
350.14825	0.2
365.36072	0.4
488.31216	1.1
506.32339	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	506.2243
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00311	0.5
53.03942	2.3
55.01863	2.0
55.05508	1.0
57.03428	0.8
57.07067	65.5
61.02909	1.2
62.68923	0.5
64.77303	0.5
67.05497	1.3
69.03434	4.1
70.06580	2.1
70.76078	1.3
71.04983	1.1
72.08153	0.7
73.02905	1.0
77.03937	0.7
79.05482	22.7
81.03405	5.1
81.07037	2.7
84.08120	1.0
85.02898	9.6
85.06531	100.0
86.06060	0.9
86.09683	3.6
87.00825	4.4
87.10042	0.6
91.03957	0.8
91.05463	2.1
93.07037	1.4
95.04966	3.0
95.08593	1.2
97.02879	4.4
98.09703	0.8
99.04443	2.0
105.01849	2.2
105.03402	1.1
105.07028	1.1
107.04939	71.8
107.08591	0.6
109.02863	5.4
109.06530	0.6
111.08058	1.0
115.03960	0.5
116.10719	1.5
117.01837	0.6
121.10017	0.8
127.03900	7.0
129.01787	0.7
129.10262	0.5
133.10126	0.9
139.07521	31.1
140.07835	0.6
145.04927	2.4
147.11650	0.5
149.09570	0.6
157.43858	0.5
159.02885	2.6
161.74348	0.5
165.09119	0.8
191.10652	2.3
214.65250	0.5
223.13260	54.9
224.13608	1.1
226.14348	1.6
227.14555	0.7
231.04839	1.1
241.14311	1.0
244.15454	4.5
245.15799	3.6
246.15941	3.0
340.24689	0.6
342.46848	0.6
408.20871	0.7
435.27213	1.3
506.18814	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3779
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01698	0.5
53.78769	0.6
55.05489	0.9
57.07026	1.5
63.66806	0.6
64.80808	0.5
67.05453	1.7
69.07038	0.9
70.83147	0.5
71.08596	0.8
71.63597	0.5
71.64029	0.7
72.74062	0.5
79.05467	0.8
81.03355	1.8
81.07007	1.6
83.08588	0.6
89.06011	0.6
91.05425	1.7
93.07008	1.3
95.04926	0.7
95.08556	1.6
97.10143	0.5
105.07024	0.6
106.73873	0.5
107.07319	6.3
107.08514	0.8
115.05392	0.7
117.06985	1.2
118.05692	1.0
118.06518	17.2
119.08478	0.6
120.08097	3.2
121.08819	1.1
121.10016	0.9
131.08517	0.5
134.09605	2.1
134.14804	0.5
142.06471	1.4
143.07242	1.2
144.04329	0.7
144.07027	0.7
144.08069	9.3
146.05986	41.1
170.05984	2.9
188.07034	17.9
188.92445	5.3
193.12198	0.7
211.94023	0.6
218.18921	0.8
226.94069	2.6
230.48105	0.5
242.51157	0.6
244.95023	1.7
248.66071	0.6
280.41870	0.5
318.31500	100.0
319.31900	1.7
358.30930	1.2
376.32123	2.5
383.94955	0.6
465.17120	1.9
483.17706	1.2
491.40607	0.6
505.37854	69.8
506.19287	0.6
506.38083	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.1801
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05499	1.5
69.07051	2.9
70.06581	1.3
70.27908	1.0
71.63161	1.9
81.07064	2.5
83.08611	2.6
84.04486	2.5
84.08104	1.2
85.02893	1.3
91.05489	1.4
93.07054	1.2
95.08570	3.3
97.06503	1.2
97.10163	2.0
108.06465	1.1
116.01664	3.8
122.02689	1.1
129.06956	2.9
131.08559	1.6
131.46161	1.1
132.12073	1.0
143.08574	1.1
144.01140	1.6
144.05644	1.1
146.21814	1.1
159.08025	2.2
162.02094	2.8
163.14738	1.3
174.03081	1.7
175.07616	1.7
181.15779	6.4
185.05902	1.5
187.07520	3.9
201.05435	1.4
203.07030	2.8
213.05518	1.6
216.04138	76.6
227.03436	2.2
231.06488	86.3
242.05684	3.8
243.06435	7.6
245.08038	4.0
257.08035	32.9
257.10565	2.0
274.18347	3.1
286.90234	1.2
342.17294	1.4
360.18381	4.0
365.23553	1.4
377.21033	2.4
385.06793	1.5
387.08423	1.4
402.10901	1.8
410.07864	1.4
411.08624	1.6
413.06461	3.1
415.11707	2.0
428.08548	2.8
443.11166	9.1
461.12244	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2558
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.3
55.01863	3.5
55.05502	7.0
56.05026	2.5
57.03423	6.9
58.99577	3.2
61.02914	4.0
66.27831	1.4
67.05498	21.6
69.07050	9.5
69.86113	5.6
69.86526	4.0
70.06580	3.7
72.08147	2.1
76.02233	9.6
79.05485	16.0
81.03408	3.0
81.07054	23.6
83.08603	4.0
84.04507	3.2
84.87637	1.6
85.02887	5.7
86.99075	2.0
91.03967	3.6
91.05467	24.5
93.07037	19.9
95.04942	2.5
95.08587	17.6
97.02830	2.4
97.06509	3.8
97.10159	2.7
98.98456	57.9
103.03943	2.5
105.07019	25.0
107.08588	13.1
109.06519	1.5
109.10155	8.2
110.09676	2.1
110.10484	1.7
116.01661	7.0
117.07015	10.9
119.08573	24.4
121.06484	2.8
121.10123	11.9
123.11706	3.1
129.05438	4.4
129.06973	4.6
130.04970	2.7
131.08537	16.3
133.10120	19.4
135.07935	2.0
135.11662	7.2
137.09570	1.8
143.08545	6.2
144.01093	2.3
145.10088	14.1
147.11647	15.2
149.13206	4.8
155.00993	13.6
155.07050	2.8
155.08463	1.8
157.10132	4.8
159.11674	11.5
161.13243	18.6
162.02187	5.2
163.02513	2.7
163.03830	2.5
163.14796	2.9
166.31281	1.5
171.11661	7.3
173.02092	10.3
173.13261	10.4
175.14815	11.5
179.04848	3.4
185.13202	5.6
185.82487	1.8
187.14894	2.2
199.14752	4.1
215.17920	6.5
217.19490	3.8
229.04745	4.7
231.21075	3.1
241.19498	35.0
243.21031	2.6
247.05690	7.8
254.19218	3.2
255.19589	2.6
259.20551	29.1
272.20200	3.1
273.20688	3.7
315.23077	6.9
333.24203	100.0
357.21957	9.2
358.22354	32.3
364.32068	2.4
412.22961	2.5
413.20746	4.0
430.24112	2.3
469.23276	3.4
487.24155	9.2
505.27618	2.9
505.39282	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2553
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71257	1.1
52.61065	1.0
53.03933	1.7
55.01849	3.3
55.05497	8.8
57.03423	8.8
57.07048	1.3
65.03902	1.2
67.05492	46.2
69.07063	6.9
71.60531	1.3
73.02874	2.4
79.05479	27.2
81.03392	2.0
81.07037	30.7
83.08593	2.1
91.05465	19.8
93.07027	26.9
95.04952	3.8
95.08580	23.0
98.98452	24.5
103.03883	1.2
103.58737	1.0
104.12298	1.3
105.04533	1.1
105.06996	9.9
107.08572	14.6
109.10120	9.2
117.03355	1.6
117.06968	3.7
119.08551	8.2
121.06490	17.2
121.10109	8.4
123.11679	2.7
129.05453	12.3
129.06976	2.2
131.08542	4.1
133.10085	6.2
135.11661	4.1
140.01064	1.3
143.08545	1.2
145.02794	3.4
145.10092	3.5
147.11667	6.3
149.13210	3.0
150.28844	1.0
155.01022	7.5
159.11674	2.7
161.13225	2.9
173.02063	4.9
175.14735	3.7
177.05437	4.4
182.14891	1.1
185.13197	1.5
191.10689	1.5
199.14690	1.5
217.19522	2.1
225.73141	1.2
229.04669	2.0
229.14224	2.0
236.08308	1.4
241.19466	2.0
247.05959	1.4
251.10606	1.5
251.59706	1.2
259.20529	6.2
293.15198	1.6
311.16541	1.5
333.24173	100.0
469.23611	1.4
500.68930	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2552
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.3
53.77190	1.2
55.01836	2.7
55.05510	7.5
57.03434	9.5
65.03936	2.3
67.05494	44.3
69.07053	7.2
71.63094	1.9
79.05481	23.4
81.03444	1.2
81.07044	35.0
83.08593	3.1
89.03900	1.5
91.05463	19.9
93.07033	26.1
95.04959	3.2
95.08592	24.7
98.98460	22.6
103.05432	1.8
105.07018	11.7
107.08571	13.9
109.06519	2.2
109.10153	8.9
117.03318	2.6
117.06985	2.7
119.08573	7.5
121.06485	12.8
121.10107	10.2
123.11679	1.6
129.05461	10.4
129.06979	1.7
131.08582	2.7
132.70103	1.6
133.06459	2.3
133.10107	6.3
135.11661	5.8
145.02817	10.0
145.10094	4.7
147.11679	4.3
149.05949	2.4
149.13235	2.2
155.00998	5.1
159.11652	1.8
161.13232	1.5
166.24094	1.5
171.11714	1.9
173.02089	4.3
173.09634	1.8
173.13228	2.5
175.14836	1.5
177.05460	21.1
181.66568	1.2
209.09628	2.7
217.19478	1.8
236.08293	4.5
241.19437	1.9
251.10562	4.3
259.20520	5.0
259.74869	1.5
265.15726	2.8
270.41742	1.4
275.14035	2.1
293.15329	12.4
311.16388	3.8
333.24161	100.0
364.36401	1.6
524.28876	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2215
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45824	0.2
51.02368	0.3
53.03940	1.8
54.25732	0.3
55.01846	0.3
59.06113	0.6
67.05482	0.6
71.60303	0.3
77.03906	0.3
77.83955	0.2
79.05479	0.9
81.03400	0.5
81.07041	0.9
91.05467	6.9
92.34878	0.3
93.07030	9.8
95.04955	3.4
95.08600	0.5
98.98444	0.5
103.05452	8.4
105.04505	0.9
107.04949	0.6
107.08543	0.6
109.10136	0.7
121.06487	100.0
122.06821	0.8
131.08580	0.3
133.06442	0.3
133.10121	0.4
135.11716	0.5
137.05957	1.5
147.11711	0.3
163.07591	0.4
177.05450	0.5
181.90961	0.3
191.10649	1.8
203.07039	0.8
230.14360	0.3
234.19437	0.5
247.96646	0.3
297.11145	0.6
333.24045	0.5
367.15332	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2215
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02363	0.4
53.03934	1.4
54.46494	0.2
55.01858	0.6
55.05495	0.7
57.03411	0.5
65.03915	0.3
67.05495	2.6
69.07043	0.5
70.29576	0.5
70.29969	0.6
72.08136	0.5
77.03900	0.4
79.05482	1.4
81.07051	1.8
83.08615	0.3
89.03902	0.4
91.05466	7.4
93.07030	10.6
95.04955	2.7
95.08587	1.6
98.21441	0.3
98.98450	2.9
103.05452	9.4
103.26096	0.2
105.04498	0.8
105.07017	1.0
107.04945	0.3
107.08558	0.7
109.06516	0.2
109.10151	0.6
117.03345	1.0
117.07005	0.3
119.08567	0.6
121.06487	100.0
122.03600	0.3
122.06823	1.0
123.11744	0.3
129.05467	0.5
129.07014	0.3
131.04909	9.1
133.10112	0.6
135.04382	0.2
137.05965	5.1
141.06976	0.3
145.02794	2.1
145.10085	0.4
147.11693	0.4
149.05936	0.6
151.87465	0.2
155.00977	0.5
163.07547	1.4
170.05783	0.5
173.02156	0.7
177.05447	2.6
180.14549	0.2
184.07332	0.4
191.10616	0.3
197.06013	0.4
197.09618	0.3
213.08980	0.2
225.09021	0.6
259.20505	0.3
271.11307	0.2
275.06665	0.2
297.56747	0.2
302.09143	0.3
303.13785	0.8
331.13220	0.8
333.24118	4.9
333.27603	0.4
336.26257	0.7
340.62436	0.2
349.14301	2.6
351.25369	0.3
364.35715	3.4
367.15408	1.8
449.77026	0.3
487.20810	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.3862
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03916	0.5
55.05495	0.6
57.03415	1.1
57.07077	0.8
58.06911	0.6
58.99588	2.4
58.99842	0.4
60.29872	0.4
61.00831	1.1
61.01139	19.5
67.05484	0.7
68.62658	0.4
69.07072	0.5
69.86951	1.8
69.87348	1.1
72.00345	0.6
74.99052	1.1
75.02685	2.5
77.00605	1.1
81.07037	1.3
85.01107	1.4
85.02895	6.1
86.98959	0.6
87.02676	26.7
89.04253	1.6
91.02129	0.8
91.05464	0.7
93.07021	0.5
95.08598	0.7
96.06365	0.4
98.20786	0.5
105.00066	2.7
105.03722	3.3
107.08633	0.4
118.06525	4.2
132.08063	2.5
133.03163	63.4
133.08829	1.2
146.09648	4.0
160.11214	1.0
230.19052	0.5
244.20575	0.7
246.22272	0.7
339.12619	0.5
372.36176	49.9
373.36557	1.4
380.09583	0.5
407.78922	0.5
442.38934	0.5
504.38586	100.0
505.39008	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.2799
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03915	0.4
55.05503	1.9
57.03427	0.4
62.38948	0.3
67.05491	0.5
69.03438	2.6
69.07033	0.6
70.06577	1.2
70.14809	1.3
71.04981	0.4
71.08629	3.5
71.56860	0.3
72.08132	0.7
79.05465	0.4
81.03406	0.7
81.07032	1.2
83.04980	2.8
83.05418	0.4
83.05598	0.3
84.08141	0.6
85.02888	3.7
86.06057	10.2
86.09689	0.8
90.21175	0.4
91.05445	0.4
93.07033	0.7
93.54212	0.3
95.04949	0.5
95.08580	1.3
96.08116	2.6
97.02868	1.5
97.06506	0.3
98.06062	0.5
98.09686	6.5
98.20805	0.4
99.04466	0.5
99.08096	4.1
101.06017	2.6
105.06999	0.5
107.08587	0.7
108.08096	0.7
109.02896	0.5
109.10155	0.5
111.04432	4.1
116.10722	15.0
119.08585	1.2
120.08088	0.5
121.10151	0.8
124.07553	0.8
127.03897	2.4
129.05449	1.0
131.73082	0.3
133.10112	0.4
136.07555	0.4
136.11259	0.3
137.09628	0.7
142.08626	8.1
142.12233	0.5
143.10651	2.4
145.04958	0.6
145.10051	0.5
147.06619	0.4
147.11632	0.4
155.07004	1.1
162.12718	0.6
164.10690	3.5
165.09047	0.6
173.08101	1.1
180.13759	0.9
182.15388	4.1
184.13214	0.5
190.12274	3.4
196.13290	0.4
196.16855	0.4
198.14879	1.5
208.13321	5.9
214.18019	4.5
226.14355	27.9
227.14680	0.6
244.15419	100.0
245.15750	1.4
261.13284	1.4
279.39999	0.4
324.21735	1.3
342.08987	0.4
342.22699	13.3
388.19418	0.9
406.20682	7.2
504.28259	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	504.2797
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.7
55.01857	1.3
55.05503	10.6
56.05026	1.2
57.03434	1.4
65.03922	1.0
66.51006	1.1
67.05483	2.7
69.03412	2.3
69.07064	4.2
70.06581	6.8
71.04970	1.4
71.08620	4.2
71.14352	1.0
71.57678	1.0
72.08142	3.5
79.05480	3.6
81.03414	12.7
81.07038	6.8
83.04978	13.2
83.08611	1.3
84.04514	1.7
84.08128	2.7
85.02892	3.7
86.06055	39.8
86.09691	3.9
91.05443	2.6
93.07026	4.1
95.04960	1.4
95.08616	4.8
96.08123	9.5
97.06509	1.7
98.09683	17.1
99.04441	2.9
99.08092	4.1
101.06013	11.8
105.07026	2.6
107.08576	2.4
108.08121	1.7
109.02862	9.3
109.06520	1.1
109.10150	1.9
111.04434	18.6
116.09883	2.1
116.10714	44.4
117.03384	1.3
119.04917	1.0
119.08572	4.2
120.08119	1.6
121.02880	5.8
121.10148	2.5
122.09663	1.7
123.11711	1.5
124.07619	2.0
127.03919	3.5
129.05475	8.6
129.10251	1.1
135.04401	1.4
135.11708	1.2
142.08620	18.4
142.12274	3.8
143.10654	8.8
145.02812	1.2
147.06540	2.4
147.11644	2.4
148.11110	0.9
149.09587	1.1
150.05486	4.5
152.07071	1.2
154.08614	1.1
155.06996	5.9
159.11780	1.1
163.03894	14.7
164.10667	8.2
167.05623	1.2
180.13771	1.5
182.15369	8.6
190.12254	8.5
196.16832	1.7
198.14951	1.6
198.49626	1.0
208.13327	11.9
214.18024	9.1
221.08060	1.5
226.14346	41.3
238.05141	1.1
244.15378	5.2
257.08078	1.2
273.09760	3.7
293.13995	1.6
312.08417	1.5
324.21841	3.5
388.19757	3.3
406.20657	100.0
407.20996	2.9
486.26755	6.6
504.21436	2.0
504.27994	56.7
505.28473	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	504.2728
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52230	0.7
55.01857	1.3
55.05508	6.0
56.05024	5.7
57.03409	1.3
57.07057	2.1
58.99579	11.2
59.90892	0.7
61.01133	1.8
61.02888	1.3
61.16290	0.8
67.05492	12.8
68.05005	2.3
69.07050	5.6
69.92588	5.1
70.06567	1.6
71.08624	0.9
72.08131	1.1
74.00645	2.3
74.88638	0.8
76.02213	25.0
76.03970	1.9
79.05479	2.8
79.20942	1.0
80.05007	0.9
81.07035	12.7
82.06562	1.2
83.04968	0.8
83.06090	1.7
83.08597	3.4
84.04485	12.6
85.01123	1.8
85.02841	1.7
85.06516	0.9
86.00639	6.1
86.99035	5.6
87.02669	4.9
87.03108	0.8
88.02189	3.5
91.03915	1.2
91.05463	2.3
93.07021	3.2
93.30854	1.0
94.06528	1.1
95.08587	16.5
96.04513	1.0
96.08122	1.1
97.01067	1.0
97.10144	5.4
98.21452	1.3
98.98435	1.1
99.02673	0.9
101.04223	1.5
102.05513	3.7
105.07014	1.8
107.08561	1.3
107.31296	0.8
109.10124	5.7
110.09605	0.9
111.11681	0.9
112.03949	1.9
114.03725	1.9
114.05509	2.0
116.01658	23.4
119.08534	2.0
121.06638	1.0
121.10109	1.9
123.11679	2.8
129.06526	2.1
130.04959	4.6
133.10121	1.3
135.11681	1.0
142.03152	3.2
143.02716	1.3
144.01112	8.4
159.11595	0.9
162.02167	16.6
179.04825	12.6
183.81023	1.1
185.13562	1.2
187.05310	1.0
189.03288	1.4
196.20638	4.8
197.18904	1.4
208.20555	1.1
211.15121	2.0
215.04768	1.0
225.16727	1.3
228.17766	4.2
228.19704	1.5
229.04665	1.0
233.05815	3.0
254.18971	12.0
254.21259	4.7
255.17827	1.9
272.20386	12.7
308.08923	1.4
308.22235	1.3
314.17761	3.0
333.24200	1.5
357.22000	100.0
358.22006	1.3
375.23209	2.1
411.22958	2.6
429.24084	5.3
486.26007	3.3
504.27399	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	503.2762
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	1.3
53.96905	1.1
55.01863	3.1
55.05503	7.9
57.03420	6.0
57.07058	3.2
65.03922	1.5
67.05493	15.2
69.07056	13.5
71.04981	2.3
71.08611	5.8
71.63171	1.3
79.05481	11.2
81.07051	22.4
83.04955	1.9
83.08608	6.0
83.79147	1.1
85.06532	1.7
91.05435	8.4
93.07027	13.8
95.04929	2.5
95.08598	18.1
97.06503	3.6
97.10178	2.1
98.98450	69.8
99.08073	3.7
105.07016	10.4
106.82349	1.2
107.08584	14.3
109.06495	14.1
109.10144	6.4
111.08096	2.1
116.99524	1.5
117.07000	2.6
117.35984	1.3
119.08568	14.3
121.06544	2.3
121.10130	10.0
122.07288	1.6
123.08048	35.4
123.11697	2.3
124.92281	1.1
125.09644	2.1
129.07028	1.7
130.16550	1.3
131.08571	5.9
133.03500	1.2
133.10110	11.7
135.08029	20.1
135.11684	4.5
137.09589	2.3
140.01089	2.0
145.10104	8.7
147.11656	5.4
149.09605	5.8
149.13264	2.5
157.10083	3.7
159.11752	3.8
161.09642	1.5
161.13206	3.3
165.12668	2.1
167.14397	1.5
173.02112	9.0
173.13171	1.7
175.14795	7.0
177.12798	6.0
179.12717	2.1
179.14293	41.6
191.14296	2.0
199.14799	1.5
205.15855	6.1
227.12663	1.5
233.19066	2.4
247.20602	3.2
259.20422	1.4
263.20139	3.0
275.20050	4.0
289.21579	3.8
293.21005	2.4
300.39151	1.4
302.42383	1.2
303.26779	9.2
313.25220	1.6
326.32620	1.2
331.26273	100.0
332.26669	2.4
349.27280	15.4
367.71579	1.2
375.28790	1.3
387.28931	4.2
405.29944	67.0
406.30359	1.8
423.31082	2.9
436.72598	1.5
439.35510	1.4
463.25436	1.5
485.26379	3.6
485.32620	2.8
503.27637	54.5
503.34677	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	503.3509
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	5.2
55.01867	11.1
55.05255	2.9
55.05503	29.1
57.03420	3.3
57.07064	100.0
65.03940	5.1
67.05494	36.6
69.03403	3.4
69.07059	18.8
70.22928	9.2
71.04977	3.8
71.08610	3.2
79.05482	22.1
81.01548	2.2
81.03400	10.9
81.07039	31.1
81.77653	2.1
83.04981	5.0
83.08598	10.3
91.05465	24.0
93.07030	13.6
95.04961	9.3
95.08589	16.8
97.06489	2.1
97.10172	2.5
103.05438	5.9
105.06995	20.7
107.04932	3.7
107.08580	9.6
109.06533	3.3
109.10165	9.6
111.08151	2.2
115.05452	8.7
116.06257	2.4
117.06992	11.4
119.08567	8.9
121.06516	2.1
121.10126	7.4
123.04401	2.2
123.11701	5.0
127.11170	6.4
128.06201	10.1
129.06973	17.3
131.04929	2.1
131.08531	6.1
133.10086	2.6
141.06973	17.6
142.07729	2.8
143.08514	12.1
145.06476	5.5
145.10114	3.4
147.11685	6.8
152.06210	7.9
153.06891	15.3
154.07741	4.6
155.08521	15.2
157.06482	8.8
157.10089	3.4
159.07947	2.9
159.11647	2.5
165.06976	27.9
165.12730	2.9
166.07684	9.7
167.08527	17.8
169.06451	3.1
169.10126	5.9
171.08029	6.2
173.13318	2.7
177.06911	2.5
178.07753	18.9
179.08519	27.5
179.14359	4.8
180.09354	3.1
181.06480	5.8
181.10066	11.2
182.07166	2.7
183.08031	5.3
183.11816	2.4
189.06978	9.6
190.07748	11.4
191.08531	26.8
192.09335	6.9
193.10129	22.3
194.07224	2.4
194.10742	2.4
195.08076	7.5
195.11703	5.0
197.09665	4.5
202.07732	27.2
203.08525	29.3
204.09280	12.0
205.06444	2.4
205.10083	22.9
206.10760	6.1
207.08066	9.6
207.11700	11.3
207.13580	3.5
208.08740	3.6
209.09528	6.4
209.13148	3.9
214.21284	2.2
215.08510	30.7
216.09274	14.9
217.10059	24.1
218.07257	5.2
218.10838	4.1
219.08070	12.3
219.11630	12.4
220.08763	4.9
220.12315	2.4
221.09605	10.3
221.13222	3.8
223.11055	2.7
225.16611	2.8
226.07770	7.5
227.08565	12.8
227.17856	2.8
228.09319	16.8
229.10072	19.0
230.10866	6.3
231.08109	11.8
231.11581	14.6
232.08667	4.6
232.12204	2.1
233.09631	15.2
233.13214	6.3
234.10362	2.5
235.11119	8.4
235.14841	2.8
239.08502	15.9
240.09271	10.5
241.10078	23.8
242.10860	7.8
243.08012	4.3
243.11815	9.7
244.08791	5.7
244.12567	2.8
245.09560	11.9
245.13216	7.4
247.11205	7.1
247.14780	3.2
248.11838	2.3
249.09135	2.6
249.12663	3.9
249.16208	3.6
252.09369	6.0
253.10083	8.1
254.10799	6.5
255.11636	9.6
257.09525	7.0
257.13181	5.3
258.10333	6.0
259.11179	12.3
261.12766	3.5
263.10675	4.1
263.17902	3.6
265.19553	2.9
267.11642	4.3
268.08975	2.7
269.09552	6.7
269.13019	4.3
271.11206	4.6
273.12732	7.4
277.19507	4.9
283.11295	3.0
287.17670	2.8
289.19547	2.4
291.20972	4.3
299.20059	20.9
303.20850	4.0
305.19083	2.9
309.18518	3.3
313.19391	2.6
315.20807	3.1
317.18985	3.2
319.20547	2.8
321.18439	3.2
331.20535	3.5
339.21170	3.6
341.22763	2.4
343.20514	9.0
344.20865	2.3
345.22205	2.8
357.22003	6.0
359.23505	4.1
361.21530	7.1
369.22156	2.8
373.21341	2.3
375.23007	7.3
377.24664	3.3
387.22943	2.7
391.26309	2.4
401.24670	2.5
447.32709	3.1
457.35065	3.0
467.33057	5.2
485.33856	22.4
503.35172	68.6
504.35486	2.9
512.32349	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	503.1904
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66484	0.5
53.03938	0.6
61.02895	0.7
65.03908	0.6
67.05461	0.5
69.03408	2.1
69.73648	3.8
70.06564	2.4
71.69351	0.6
72.08154	0.7
74.76976	0.6
79.05473	1.2
81.03387	0.8
81.07019	0.9
84.04466	0.9
84.08112	1.2
85.02888	5.5
86.09696	2.0
90.41287	0.6
91.05453	3.1
91.63454	0.6
94.04163	2.5
95.04956	0.8
97.02860	1.5
99.04443	0.6
103.05455	1.5
105.07024	5.9
107.04924	1.0
109.06498	1.6
114.09190	0.6
115.05437	2.8
119.04927	1.2
119.08553	2.0
121.06471	0.9
122.03621	5.7
127.03912	1.7
128.06245	1.4
129.06984	2.2
131.04915	1.3
132.05650	1.1
133.06459	3.1
137.05956	100.0
141.06975	0.8
143.66730	0.6
144.05688	0.8
145.04932	1.0
145.06432	1.1
147.04414	1.6
147.08009	2.5
149.05916	1.0
159.08057	2.2
160.05161	0.8
161.05957	14.6
171.07985	0.9
172.05148	1.4
175.07521	21.5
179.06978	1.3
181.16028	0.5
187.07501	9.4
190.07724	2.3
191.08487	6.4
199.07518	7.2
202.07787	2.2
203.08586	3.7
208.08838	0.9
218.07280	1.3
219.08029	8.0
220.08859	1.4
231.08017	4.3
232.08687	1.0
235.07382	0.7
236.08386	2.0
247.07509	3.2
248.08305	3.1
251.10628	13.8
259.07455	3.1
260.08224	1.1
261.09235	0.7
263.10626	2.8
264.07956	0.8
265.08490	1.0
276.07767	1.3
277.08600	0.8
279.10101	12.0
280.10608	1.0
281.08093	1.1
291.10074	8.3
292.10901	2.2
295.09793	0.7
295.13217	1.4
296.10294	1.6
311.12723	27.6
323.12686	14.6
341.13773	1.0
358.41397	0.6
503.20755	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	502.3155
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	3.9
55.05503	5.7
57.03416	4.3
57.07064	11.6
61.02908	1.6
65.03916	1.3
67.05492	7.2
69.03418	4.4
69.07054	7.3
70.06558	1.0
71.01344	1.2
71.04980	3.1
71.08618	6.1
71.60844	0.9
71.61225	1.0
73.02900	3.1
73.06543	1.5
79.05475	9.0
81.03412	1.9
81.07040	10.2
83.04946	2.8
83.08601	3.4
85.02878	5.2
85.06524	11.2
85.10189	4.1
87.04447	3.8
87.08079	1.3
89.06020	6.1
91.05465	26.2
93.07030	5.8
95.04961	1.6
95.08627	4.4
97.02856	1.0
97.06496	2.2
97.10147	0.9
99.04414	1.1
99.08063	1.5
104.06219	1.6
105.07008	6.2
107.08567	5.1
109.06516	4.7
109.10162	1.1
111.04448	1.5
111.08065	9.3
115.03906	1.3
115.07550	0.9
117.06995	1.4
119.08528	2.0
121.06461	1.7
121.10122	1.4
123.08044	1.8
125.09611	1.8
127.07513	7.4
128.01715	1.0
129.09081	2.1
131.08568	1.4
133.08492	2.7
133.10107	100.0
134.10451	1.0
135.08047	1.7
141.09058	1.3
143.03333	1.2
147.07988	3.8
149.08380	1.3
149.09592	27.5
153.09070	8.0
171.02827	1.4
171.10139	17.3
179.53384	0.9
189.11189	17.3
200.20074	1.4
261.22217	1.5
313.27371	4.0
337.20078	2.8
416.38870	1.6
449.25470	1.3
485.29395	1.3
485.36896	1.3
502.29193	1.2
502.35898	5.7
502.44196	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.3896
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05440	1.1
69.07050	0.8
69.15298	0.7
71.08595	0.8
79.05447	1.5
81.07018	1.4
87.04438	2.2
87.66152	0.8
88.95066	0.8
89.05988	1.0
93.07015	1.1
103.03903	1.1
107.07334	1.0
118.06525	4.0
120.08092	0.9
131.03389	13.4
132.08055	2.8
133.08492	1.0
133.10173	0.8
144.08095	1.4
146.09604	4.6
172.11166	1.0
177.07846	0.8
188.07033	19.6
200.07057	1.4
202.08627	8.2
203.09341	1.9
204.10147	0.9
216.10158	18.5
216.12093	1.5
230.11755	3.5
234.07521	0.8
234.51144	0.8
244.13365	1.2
253.67815	0.7
258.14893	1.8
262.10889	0.8
272.16507	1.5
286.17987	0.9
300.19522	1.8
314.21063	1.3
328.22662	1.0
342.24283	1.2
372.36215	29.2
398.37823	2.5
416.41968	8.3
442.36749	100.0
443.37167	3.5
458.47440	1.1
465.78381	0.8
502.38788	92.4
502.45444	14.3
503.24274	2.2
503.38824	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	503.1902
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02357	0.6
53.45990	0.6
61.02900	0.5
64.88091	0.5
69.03413	1.4
70.06571	1.3
79.05466	1.5
81.03378	0.8
81.07045	0.9
84.08089	0.8
85.02889	6.0
86.09690	1.6
91.05453	2.8
94.04161	2.3
97.02863	1.5
103.03936	0.6
103.05432	1.2
105.07010	4.4
105.32980	0.5
107.04949	0.8
109.02801	0.7
109.06488	1.9
115.05426	2.4
117.07003	1.0
119.04924	0.7
119.08572	1.8
121.06470	0.9
122.03645	6.4
127.03903	1.3
128.06212	1.0
129.07001	1.3
131.04913	1.5
132.05687	1.7
133.06425	3.8
137.05956	100.0
138.06288	1.1
145.04961	0.8
145.06497	0.9
146.03632	0.7
147.08011	2.6
149.05927	1.1
155.04863	0.7
157.06418	0.7
159.08012	2.4
160.05165	1.7
161.05963	13.2
163.03864	0.6
163.07462	0.9
171.08098	0.7
172.05165	1.9
175.07520	24.2
175.85095	0.6
179.07033	1.5
185.05983	0.8
187.07504	9.2
190.07755	1.6
191.08499	6.5
199.07516	7.0
202.07733	2.2
203.08493	3.9
205.06757	0.6
207.08095	0.7
208.08894	0.7
217.08575	1.0
218.07262	2.0
219.07997	10.8
220.08795	2.3
231.08061	5.0
232.08684	0.9
233.09537	0.9
235.07661	0.7
236.08286	1.6
237.09052	0.9
246.06804	0.6
247.07515	4.3
248.08315	2.7
251.10638	14.0
253.08632	0.6
259.07440	3.4
260.08310	1.6
263.10654	2.9
264.07739	0.8
265.08600	1.0
276.07715	1.8
277.08603	1.7
279.10123	12.1
280.10550	1.0
291.10098	9.1
292.10873	2.2
295.13266	1.5
296.10382	0.9
311.12720	31.3
320.37875	0.6
323.12704	16.2
341.13831	1.8
497.64053	0.6
503.05981	0.8
503.20389	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13918	0.7
52.29298	0.8
53.03938	1.0
55.01859	1.1
55.05490	1.3
56.16132	0.6
57.03439	1.4
61.02905	0.9
62.99287	0.7
67.05489	1.3
67.91477	0.7
69.03426	4.5
69.07057	3.7
69.85909	4.6
70.06586	4.3
71.42604	0.6
72.08121	2.0
77.97953	0.8
79.05484	3.3
81.03403	2.8
81.07000	1.4
84.04483	1.0
84.08121	3.2
85.02883	9.4
86.09680	4.3
87.00837	3.7
88.59097	0.7
91.05460	1.5
95.08604	1.5
97.02867	3.5
97.06510	8.0
99.04440	1.9
105.01828	4.2
105.07017	12.8
107.04937	0.9
107.08583	1.2
109.02861	3.9
114.09150	1.3
119.04918	1.4
119.08563	1.5
120.08094	1.9
121.10146	1.0
127.03909	7.5
129.10216	1.3
130.04959	1.6
131.08545	3.4
133.02815	1.6
133.06480	2.2
137.05960	0.9
145.02847	4.0
145.04933	2.5
147.04430	3.8
147.11746	0.9
149.05916	0.9
159.02846	1.1
159.08025	3.8
161.02286	1.3
163.03888	9.5
165.05457	8.2
169.06409	1.4
173.02321	4.3
173.09509	0.8
175.07375	1.0
177.05450	14.0
187.07510	26.2
190.56158	0.8
193.08554	2.7
201.16331	1.0
205.08588	18.7
213.03970	0.9
215.06990	8.3
219.10133	11.8
231.04956	2.9
237.11188	100.0
256.15408	1.5
259.09650	18.3
277.10718	4.4
296.92093	0.8
468.16644	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2814
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01839	0.7
55.05491	2.2
57.03426	47.0
57.07055	0.9
61.02916	11.2
67.05476	1.4
69.07054	3.1
70.71008	1.1
70.71381	0.8
71.08602	0.8
72.34787	0.4
75.04469	2.2
79.05484	0.8
79.46587	0.5
81.07030	1.9
83.08588	2.3
91.05482	0.5
93.07025	1.9
95.08574	1.6
95.54604	0.5
97.10138	1.7
98.06129	0.6
98.98444	21.9
107.08576	0.9
109.10102	0.8
116.99483	1.2
117.05469	100.0
120.96651	0.6
121.10071	0.7
135.11612	0.8
139.60786	0.5
141.56415	0.4
155.01006	13.9
173.02100	5.3
195.00307	2.4
197.02087	4.3
205.29114	0.5
247.05774	3.0
253.04659	8.8
271.05731	0.6
311.25717	6.7
329.26807	45.8
330.27216	1.0
338.27878	0.6
440.22610	1.5
447.24994	0.5
458.23648	4.6
501.27722	3.7
501.35486	1.4
501.43887	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.4042
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69106	0.4
55.05373	0.8
57.03321	0.4
67.05339	2.9
67.05740	1.2
69.03315	0.4
69.06908	1.1
71.63890	0.4
71.64259	0.6
76.28471	0.3
79.05307	4.0
79.05820	1.1
81.06873	3.8
81.07412	1.1
83.04855	0.5
83.08454	0.7
83.08883	0.5
84.04311	3.5
84.04873	0.9
85.02713	7.1
85.03298	1.8
85.06224	0.3
86.05913	0.4
87.04269	1.5
87.04821	0.7
89.48892	0.4
91.05278	2.1
93.06846	4.4
93.07512	1.1
95.01182	0.7
95.04830	0.5
95.08395	2.0
97.06399	0.4
98.27319	0.3
102.05334	3.7
102.06064	0.8
105.06824	1.3
107.08386	1.4
109.09985	0.8
111.07902	0.4
112.03802	0.5
113.02184	0.6
116.40501	0.3
117.06850	0.8
118.06329	6.3
118.07231	0.5
119.08389	0.9
121.09921	2.8
130.04778	24.1
130.05846	2.2
130.06369	1.0
131.07095	0.4
131.08336	1.4
131.09189	0.5
132.07861	4.9
133.08627	1.3
133.09918	1.4
133.17770	0.4
135.11502	0.8
143.08371	0.5
144.07834	1.9
145.09920	1.1
146.09415	9.9
147.11464	0.9
149.13033	1.0
159.11469	1.1
160.10985	1.8
160.12216	0.5
173.13083	0.5
174.12625	0.5
177.12515	0.5
182.52538	0.4
188.14171	0.8
195.13658	0.5
202.15663	0.7
216.17213	1.0
218.18886	0.6
230.18829	0.7
244.20341	1.3
246.21935	1.1
252.54779	0.4
258.21945	0.7
272.23630	0.5
274.25183	0.6
358.34656	0.6
372.36191	100.0
373.36514	2.3
398.37659	1.0
409.30951	0.5
412.36014	0.5
442.36880	0.5
460.59354	0.4
484.37885	6.1
501.40735	65.9
502.35001	0.4
502.41483	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2348
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91577	0.4
53.03925	0.5
55.05502	9.7
56.05029	0.8
57.02333	0.5
57.05808	0.6
69.43008	4.1
70.06584	3.5
72.08144	100.0
82.17214	0.4
84.04485	1.3
84.08138	2.4
86.09705	2.5
87.05575	0.6
90.49269	0.4
91.05459	3.7
92.36353	0.4
98.20763	0.8
107.04906	0.6
114.60995	0.4
119.04922	4.9
120.08061	0.6
122.06053	0.5
123.04420	1.1
129.10225	1.6
136.07555	77.5
137.07869	1.1
140.07042	0.9
145.06468	0.6
147.04395	1.3
148.07510	1.1
151.28198	0.4
165.05443	2.9
167.18781	0.5
168.06587	0.4
173.09007	0.5
175.07442	0.5
182.08116	6.5
189.09067	0.5
191.07002	1.0
193.09698	43.9
194.10049	0.9
205.08521	1.9
206.08856	2.0
207.09108	0.8
221.09177	40.2
224.50436	0.4
233.08038	3.7
234.08324	1.4
235.08632	1.9
235.14372	1.4
244.09204	0.5
247.14409	0.5
251.09076	4.8
252.09412	2.9
253.09657	3.6
275.13882	6.0
281.14923	20.9
320.16000	13.7
430.85403	0.5
457.21234	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.4451
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	0.3
59.04990	0.6
69.07024	0.4
73.06509	0.2
87.04447	1.0
93.05742	0.2
103.38054	0.1
106.06510	0.2
107.07289	0.4
118.06517	7.6
119.07322	0.2
120.08038	0.5
130.06485	0.5
131.07242	0.4
132.08060	5.1
133.08813	1.0
134.09540	0.1
144.08051	0.4
146.09613	9.5
147.09901	0.1
150.94992	0.1
160.11159	1.4
174.12726	0.5
188.14319	0.6
202.15845	0.8
204.10060	0.2
216.17429	0.5
218.11708	0.5
228.53929	0.2
230.19034	0.3
232.13289	0.8
244.20634	0.5
246.14838	1.0
246.22119	0.6
258.22192	0.9
260.16479	0.3
260.23679	0.4
272.23630	0.9
274.25296	0.7
286.25357	0.3
288.26773	0.2
300.26691	0.2
386.37723	6.6
387.38132	0.2
400.39297	17.5
401.39618	0.7
414.40851	4.4
415.41382	0.2
440.42181	0.2
492.24820	0.1
500.44495	100.0
501.44852	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.4455
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13728	0.1
55.05476	0.2
58.73469	0.2
59.04963	0.4
71.34114	0.2
71.34451	0.2
74.14450	0.2
77.94604	0.2
87.04454	1.9
106.06547	0.2
107.07298	0.4
109.93661	0.1
118.06525	9.0
120.08088	0.4
129.06927	0.2
130.06494	0.5
131.07260	0.5
132.08080	4.3
133.08859	1.4
134.09633	0.2
144.08083	0.3
145.08849	0.2
146.09628	9.3
157.16360	0.2
160.11212	1.4
174.12752	0.7
188.14290	0.6
202.15883	0.6
204.10199	0.4
216.17439	0.4
218.11699	1.1
227.87823	0.2
230.18930	0.4
232.13399	0.8
244.20576	0.3
246.14825	1.2
246.22208	0.6
258.22156	0.7
260.16281	0.4
260.23615	0.6
272.23767	0.9
274.25253	0.8
286.25305	0.6
288.19604	0.2
288.26886	0.4
300.26859	0.3
386.37723	1.6
400.39322	22.0
401.39532	1.0
414.40897	7.0
415.41180	0.3
440.42383	0.3
500.44534	100.0
501.44876	6.1
513.71619	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1595
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	2.9
55.01854	0.9
57.03409	1.2
61.02906	0.8
68.99760	1.0
69.03427	6.3
69.07018	1.1
70.06578	2.6
70.13760	3.0
71.04964	3.0
72.08141	1.5
73.02897	1.9
77.04028	0.8
79.05446	0.7
81.03403	10.5
81.07021	1.9
83.04976	1.1
84.04498	0.9
84.08111	1.7
85.02892	29.6
86.09675	2.5
91.05439	0.9
93.07023	1.7
95.08586	0.9
97.02269	1.4
97.02872	19.5
97.06494	0.7
99.04437	19.9
103.03929	26.4
107.04937	1.4
109.02859	11.6
115.03902	1.5
121.06468	2.0
123.04388	4.5
123.11689	0.6
125.05946	2.5
127.03894	53.2
129.04562	0.6
135.04424	0.8
145.04933	25.6
149.05965	17.7
151.07603	1.1
152.07072	0.6
163.03891	1.2
163.06006	7.6
167.07027	6.4
169.04977	2.1
173.02171	0.9
177.05446	32.2
181.04988	0.9
187.05972	4.7
195.06505	100.0
205.06955	1.0
213.16064	0.7
219.06479	1.5
235.00467	0.7
237.07536	2.7
253.07091	1.4
253.10646	2.2
271.08014	3.5
289.08942	2.7
303.08411	0.8
321.11084	1.4
321.24182	0.8
342.91632	0.7
501.17480	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	500.4456
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06549	0.1
55.05504	0.1
57.07041	0.1
57.35397	0.1
66.90599	0.1
67.05482	0.2
69.07014	0.1
69.75502	0.6
83.08579	0.1
87.04458	10.0
91.05450	0.2
93.05756	0.3
93.07020	0.2
94.06528	0.1
95.08563	0.1
100.96008	0.1
106.06521	0.3
107.07318	0.6
113.90130	0.1
117.05744	0.2
118.06528	7.2
119.07257	0.3
120.08099	0.5
129.07002	0.2
130.06487	0.4
131.07304	0.6
132.08076	5.6
133.08884	1.2
134.09613	0.4
144.08051	0.4
146.09633	10.3
147.10243	0.3
160.11197	1.6
174.12735	0.7
183.82310	0.1
188.14345	0.6
202.15851	0.8
204.10132	0.4
209.13309	0.1
216.17450	0.5
218.11737	0.8
228.80516	0.1
230.18958	0.3
232.13319	1.0
244.20558	0.5
246.14984	0.2
246.22180	0.4
258.22165	0.8
260.23740	0.6
272.23694	1.0
274.25345	0.6
274.27982	0.1
275.53140	0.1
286.25238	0.8
288.26822	0.4
300.26797	0.3
302.28455	0.1
314.28159	0.2
325.19485	0.1
344.25516	0.2
372.36362	0.5
386.37735	0.3
400.37296	0.1
412.39444	0.2
414.40894	40.6
415.41217	1.8
457.41428	0.2
500.44547	100.0
501.45428	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.3574
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03910	2.2
55.05504	46.0
57.07050	4.6
58.26318	1.8
67.05493	31.0
69.07081	9.5
71.04951	3.0
71.63870	2.2
76.41256	2.0
79.05481	13.8
81.07047	38.7
83.08608	32.7
85.06491	2.8
85.54604	1.9
87.00774	8.5
87.04459	19.2
91.05449	9.7
93.07031	17.1
95.04923	3.1
95.08057	2.4
95.08589	27.8
97.10100	4.1
105.01788	6.3
105.06959	8.8
107.04832	2.6
107.08589	11.2
109.06493	2.3
109.10130	17.6
111.07985	2.1
117.06958	2.5
118.06503	4.6
119.08482	7.6
121.10136	12.7
123.11633	7.1
131.08568	9.6
132.08006	8.2
133.10016	6.1
135.07982	2.9
135.11673	9.4
137.13121	3.0
141.12605	2.3
145.10072	9.4
146.05975	14.8
147.11589	6.1
149.13120	6.2
151.49257	1.8
159.11592	7.9
160.07486	2.6
161.13156	7.6
163.11081	2.6
173.11584	8.7
173.13037	3.7
175.14697	3.0
215.17825	2.2
218.11633	2.8
243.20836	7.6
244.20369	2.4
261.22083	19.3
279.23120	13.0
297.24142	2.3
303.22845	6.1
321.23975	4.3
329.20755	3.7
331.74319	2.2
347.22052	18.0
365.23175	65.5
383.24072	3.7
414.37061	31.8
423.30560	2.9
465.31610	8.1
500.40344	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.3939
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58096	0.9
55.05489	3.2
57.03412	2.4
57.07048	2.5
63.00372	0.9
67.05495	11.2
68.25125	1.0
69.07042	4.2
75.87597	0.9
81.07035	1.8
83.08589	3.9
85.10162	1.0
87.04465	12.4
97.10154	2.5
109.10151	10.6
111.36829	0.9
118.06532	11.2
119.08530	1.1
119.59930	0.8
132.08092	6.4
133.08810	2.2
142.35669	1.0
146.09642	12.4
153.14526	0.9
160.11145	2.5
173.11659	2.7
188.14270	1.9
218.11746	1.0
229.14345	13.0
229.74849	1.1
232.13136	1.0
272.23660	2.0
311.25745	11.4
364.58682	1.0
400.39502	2.1
414.40924	45.0
436.28760	1.0
465.35803	10.7
500.22205	2.7
500.44382	100.0
501.22339	3.4
501.44736	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	500.4452
Annotation	Unknow
Peak:m/z	Relative Intensity
69.50017	1.7
71.41388	0.2
71.45270	0.3
73.27025	0.2
73.60626	0.2
83.83559	0.2
87.04451	10.1
91.53179	0.2
101.82515	0.2
106.06538	0.2
107.07323	0.4
118.06521	8.6
119.07298	0.3
120.08044	0.2
130.06497	0.4
131.07312	0.3
132.08063	4.7
133.08855	0.9
134.09669	0.2
144.08081	0.4
146.09621	8.5
147.10178	0.3
152.80389	0.2
160.11195	1.7
174.12790	0.7
188.14293	0.9
202.15921	0.5
204.10213	1.0
216.17455	0.6
218.11667	0.4
230.18887	0.2
232.13287	1.0
244.20563	0.5
246.14723	0.2
246.22137	0.3
258.22144	0.8
260.23672	0.4
272.23776	0.8
274.25284	0.7
286.25238	0.9
288.26819	0.5
300.26938	0.4
414.40854	40.7
415.41266	2.1
500.44476	100.0
501.38275	0.3
501.44974	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	500.286
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60331	0.1
55.05500	0.2
57.03435	0.1
67.05483	0.4
69.07043	0.2
69.89688	0.2
69.90096	0.5
79.05493	0.7
81.03391	0.3
81.07034	0.4
91.05450	0.3
93.07011	0.5
94.04045	0.5
95.04944	0.2
95.08581	0.3
97.02900	0.1
98.20690	0.1
98.98457	0.1
100.68434	0.1
105.07063	0.2
107.08551	0.1
119.03523	0.8
119.08560	0.2
120.08914	0.1
121.10111	0.2
133.10080	0.1
135.11682	0.1
136.06163	100.0
137.04579	0.7
137.06580	0.2
140.61086	0.1
171.11618	0.1
176.85643	0.1
193.12202	0.1
216.68550	0.1
346.31070	0.3
367.57794	0.1
500.28473	9.4
500.34589	0.9
501.28754	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.2484
Annotation	Unknow
Peak:m/z	Relative Intensity
55.00621	0.4
55.05508	0.7
56.05045	0.3
57.03430	0.8
61.02917	0.7
67.15567	0.4
68.05009	0.7
69.03419	1.4
70.03915	1.2
70.04338	0.7
70.06581	89.6
71.04980	7.1
71.06919	0.4
72.08147	3.1
74.06081	0.6
81.03403	0.5
82.06559	1.2
84.04518	0.8
84.08133	8.9
85.02894	2.6
86.09689	1.5
87.04425	0.8
91.44878	0.4
96.08121	4.0
97.02870	1.0
98.09731	0.6
99.04480	0.4
100.07602	13.3
107.04945	0.4
108.04465	0.5
108.08095	0.9
109.02880	0.5
112.08706	0.4
114.09167	0.7
115.08681	0.4
116.07078	0.4
117.09062	0.4
120.08094	0.4
123.04402	6.5
123.05290	0.4
126.09135	11.7
127.03905	0.6
129.10226	0.4
135.07993	0.4
136.11176	0.7
137.05983	1.1
140.10678	3.2
142.08595	1.6
144.10165	0.5
146.54013	0.4
147.04471	0.4
148.07523	1.1
152.10686	0.6
158.11775	0.4
163.03877	2.0
165.05467	0.4
178.93922	0.4
182.11781	0.6
183.14818	0.6
186.11229	0.5
188.33582	0.4
191.55518	0.4
200.12849	0.8
205.08603	1.3
205.71773	0.3
206.09045	1.2
233.08070	2.3
234.08403	3.8
250.14397	2.8
251.09102	3.8
252.09438	4.9
256.07425	0.4
258.14813	0.7
260.16437	1.6
274.62744	0.4
287.13998	0.6
288.15903	5.0
304.15411	0.5
304.74542	0.4
306.16937	8.4
315.12946	0.6
319.17410	0.4
320.18579	2.6
338.19559	25.5
339.19861	0.8
358.91757	0.4
396.73499	0.4
411.08966	0.4
412.19412	1.0
424.19598	0.6
438.21451	1.9
450.21173	4.3
456.20868	0.5
468.22223	15.7
469.22733	0.5
482.17163	0.8
482.23804	9.8
483.23840	0.6
500.24838	100.0
501.25223	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	500.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.8
55.05501	0.4
55.47091	0.3
61.02920	0.5
67.05495	0.6
69.03406	1.3
69.07056	0.5
70.06591	2.9
71.04974	0.3
71.62644	0.6
71.63022	0.3
72.08138	0.7
79.05481	0.5
81.03391	1.3
81.07032	0.6
84.04504	0.9
84.08121	1.1
85.02889	3.8
86.09714	2.4
87.00822	1.4
88.86987	0.3
91.05457	0.9
93.07018	0.6
95.08610	0.4
97.02893	3.3
97.06513	1.0
99.04442	0.7
101.90292	0.4
102.05482	0.4
103.05435	0.5
103.58558	0.3
105.01866	2.0
105.07033	1.2
107.04979	0.4
107.08573	0.5
109.02855	2.1
115.05468	1.7
117.07001	1.1
120.08105	0.5
127.03893	4.4
129.01857	0.3
129.10236	0.5
130.05052	0.4
131.04930	0.5
133.06506	2.4
137.05983	0.3
140.07091	0.4
143.04935	1.5
145.04944	1.4
145.06477	1.4
145.10045	0.4
147.04375	1.5
159.02876	1.1
161.02293	0.6
161.05972	5.0
161.09520	0.8
171.04405	11.9
171.07930	0.4
173.05934	0.7
174.13670	0.4
175.07533	0.4
187.31281	0.3
189.05453	63.9
190.05710	0.6
199.03864	5.2
199.07550	0.7
215.07161	0.5
217.04945	100.0
217.08542	4.9
218.05309	1.3
231.05009	0.7
235.05984	22.8
252.06940	0.6
259.09561	0.8
313.11703	0.6
500.20978	0.7
500.30273	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.248
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97569	0.7
57.03421	1.0
58.00074	0.8
60.42863	0.8
61.02905	2.5
65.54618	0.8
66.63023	0.8
68.05007	2.0
69.03410	3.6
70.06579	80.5
70.97169	1.3
70.97533	1.9
71.04978	47.8
80.04994	2.1
81.03390	0.9
82.06579	2.1
84.08125	27.2
85.02891	7.4
90.17904	0.9
96.07538	1.8
96.08111	19.4
97.02867	3.4
98.05994	1.0
99.04445	1.1
100.07598	99.7
108.08089	5.8
109.02890	1.1
114.09148	11.4
122.09654	1.0
123.04404	26.8
126.09128	3.5
127.03885	1.2
129.10201	1.2
134.09630	1.1
136.11159	1.8
137.05962	5.7
140.07056	1.5
140.10684	8.4
146.05962	1.4
147.04382	1.0
148.07582	1.3
149.05885	1.1
152.10684	2.0
180.13864	1.7
205.08586	2.7
206.08942	3.6
233.08157	4.8
234.08347	5.4
234.98877	0.9
251.09184	5.0
252.09438	9.2
258.10632	0.8
258.14865	1.2
259.84595	0.8
260.16440	22.8
288.15918	10.4
302.17288	1.9
306.16873	1.2
315.13248	1.0
320.14890	1.4
320.18478	7.1
338.15683	1.1
338.19586	1.4
389.46378	0.8
417.87582	0.9
422.21701	9.0
450.21146	20.1
450.26968	1.4
456.21323	1.2
464.22708	3.7
468.22162	5.2
482.23804	68.1
483.24078	1.3
500.24817	100.0
501.25195	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	500.2483
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	0.8
56.05034	0.7
57.03429	0.7
58.60831	0.5
67.05492	1.2
69.03407	2.7
69.07050	1.5
70.06582	4.9
70.90858	1.3
70.91193	0.4
71.04949	0.6
72.08138	1.7
72.78288	0.4
74.42754	0.4
79.05484	0.7
81.03395	1.0
81.07050	1.1
82.95123	0.4
84.04495	1.0
84.08120	2.2
85.02889	1.7
86.09689	3.1
91.05458	0.9
93.07015	0.9
96.40453	0.5
97.02892	1.0
97.06509	3.2
105.07010	1.2
109.10116	1.2
109.49292	0.4
115.03875	0.6
115.05434	0.6
117.06968	1.3
119.08552	0.9
120.08099	1.2
121.06364	0.5
127.03894	0.6
129.06953	0.6
129.10211	0.9
130.04958	0.7
131.04956	0.5
131.08554	0.7
133.04092	0.5
135.08003	0.6
145.06438	0.9
145.12180	1.0
145.39522	0.5
147.11671	0.5
149.05978	0.6
159.04306	0.5
159.08028	2.1
161.05972	2.7
161.09549	2.4
163.03914	1.3
163.07466	0.6
173.05998	3.7
173.09669	0.6
175.07458	2.4
176.08250	0.5
177.05397	0.7
187.07506	6.1
189.05446	1.1
189.09085	1.5
191.07042	3.0
197.09505	0.5
201.12701	0.7
203.07014	7.9
203.10770	0.7
203.14250	0.7
205.05173	0.7
205.08595	7.6
209.07950	0.6
211.11174	1.1
215.06976	14.0
217.04948	0.7
217.08560	2.7
221.08049	44.2
222.08328	1.0
229.12173	4.1
229.14102	0.8
231.13741	2.9
233.08051	29.9
234.08421	0.9
235.06013	1.6
235.09567	1.4
239.10631	2.3
242.09459	0.7
247.13277	1.7
257.11697	14.1
259.09592	2.0
275.12723	41.2
276.12939	1.5
293.13779	100.0
294.14117	2.1
322.20544	0.6
333.14331	2.0
379.90744	0.5
386.20654	0.5
434.02020	0.5
482.19220	0.7
500.30801	0.6
525.05585	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.3258
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	7.1
53.42247	1.3
55.01853	5.6
55.05502	26.2
57.03429	29.1
57.07072	8.8
57.94138	1.5
58.06592	2.9
60.08150	15.4
61.02916	62.0
61.08493	3.4
65.03903	2.1
67.05492	71.8
69.03421	31.0
69.07056	33.4
70.32880	7.7
71.01341	2.9
71.04972	5.9
71.07363	5.8
71.08622	6.8
73.02905	27.4
79.05477	27.9
79.58421	1.8
81.03407	24.2
81.07043	86.3
83.04969	4.9
83.08602	20.9
85.02890	66.9
85.06530	2.7
85.10187	2.4
86.09692	41.1
87.04442	2.9
87.10021	17.5
88.03996	1.9
88.10363	2.5
89.06020	2.2
91.03941	40.5
91.05458	18.8
93.07035	25.2
95.04964	4.2
95.08591	61.7
97.02876	51.1
97.06528	6.1
97.10158	14.3
98.98470	3.6
99.04442	10.8
99.08081	2.8
101.02380	15.6
103.03916	10.6
103.05441	1.8
104.10726	76.6
105.07016	31.7
105.07676	3.0
105.10385	3.2
105.11056	32.0
106.11205	10.2
107.08576	16.6
109.02874	11.9
109.06435	2.0
109.10139	30.9
111.04442	3.5
111.08067	3.9
111.11697	2.6
111.94070	1.7
115.03923	4.6
117.05502	2.3
117.07005	3.3
119.08558	11.7
121.06513	1.8
121.10112	15.6
123.08030	3.1
123.11681	16.1
124.99979	18.9
125.09624	3.4
126.00360	4.7
127.00413	10.2
127.03893	26.7
129.05463	4.0
129.06963	3.3
131.08589	6.6
133.10107	11.6
135.11690	8.8
137.09679	2.2
137.13231	7.2
139.11243	2.1
145.04944	9.6
145.10078	4.4
147.08124	2.9
147.11696	7.1
149.13246	6.5
151.14848	5.1
157.10159	2.1
159.06497	2.8
159.11633	2.0
161.13268	5.9
163.14841	7.4
165.12762	2.3
175.14827	5.3
177.16385	3.2
183.06493	8.1
184.07304	49.2
185.07669	26.1
186.07764	33.9
187.08109	7.1
187.14821	2.9
189.16440	2.7
199.14912	2.4
201.07608	6.3
245.22566	12.6
261.22165	3.8
263.23663	27.4
287.23639	1.8
293.24832	1.6
303.23080	2.3
305.24884	2.2
311.25894	6.7
314.27707	2.3
337.27295	100.0
338.27808	2.2
347.25937	1.7
353.24725	1.7
365.26999	4.2
371.25891	3.8
437.70349	1.6
445.29648	4.2
461.72064	1.8
463.30487	3.7
481.32913	12.8
499.34338	76.8
500.33963	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	499.3201
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72095	0.8
53.00291	0.9
53.03934	2.3
55.01853	3.9
55.05504	8.4
57.03426	1.5
57.07069	31.1
65.03925	2.0
67.05498	11.6
69.03419	3.1
69.07057	5.4
70.34525	3.2
71.04984	1.2
79.05498	6.5
81.03416	4.3
81.07056	8.1
83.04983	1.4
83.08596	2.1
85.10170	48.6
91.05483	7.2
93.03426	1.5
93.07028	5.0
95.04958	3.0
95.08587	11.5
98.20811	1.2
103.05421	1.2
104.97779	0.9
105.07007	3.3
107.04949	2.3
107.08565	2.3
108.23898	0.9
109.10128	1.9
113.00736	0.9
113.09627	29.8
115.05444	3.5
117.07001	2.8
119.08562	1.5
121.06522	1.2
128.06207	3.1
129.06975	5.9
131.04883	1.6
133.06435	1.1
141.06981	3.7
143.08542	2.2
145.06477	2.7
147.11679	1.3
149.13229	1.0
152.06166	2.2
153.06979	3.0
153.12744	1.6
154.07710	1.4
155.08539	2.7
155.14346	1.5
157.06490	2.0
165.07007	7.7
165.12723	3.0
166.07701	2.1
167.08554	3.7
169.06500	2.5
177.07094	1.0
177.12663	2.4
178.07774	5.9
179.08571	4.3
181.06503	2.6
181.10118	1.6
183.08005	2.8
184.08841	1.9
185.09624	6.9
189.07005	4.3
190.07732	4.8
191.08496	6.9
192.09317	2.8
193.06445	2.5
193.10104	2.6
194.07266	1.3
195.08093	2.9
201.20735	0.9
202.07729	12.4
203.08548	13.6
204.09367	3.7
205.06502	2.1
205.10172	4.4
206.07240	1.4
207.08073	3.6
208.08778	1.6
209.09608	2.7
213.06944	1.2
215.08522	17.9
215.10558	1.0
216.09325	9.5
217.10069	8.1
218.07236	4.6
219.08023	5.0
219.11659	1.9
221.09598	3.4
226.07721	6.1
227.08574	6.4
228.09285	9.0
229.10106	12.8
230.10895	3.3
231.08061	9.9
231.11604	7.3
232.08786	3.0
233.09622	7.7
234.10423	1.2
235.07454	1.0
235.11111	2.4
237.09027	1.4
239.08505	13.6
240.09325	9.1
241.10095	17.1
242.07198	1.6
242.10898	4.1
243.08057	6.7
243.11613	5.5
244.08844	4.9
245.09563	7.6
245.13171	1.4
246.10429	1.9
247.07524	1.2
247.11230	4.3
249.09114	1.8
252.09398	4.7
253.10019	5.7
254.10886	3.1
255.08087	4.1
255.11674	8.2
256.08752	2.0
256.12454	3.2
257.09598	10.5
257.13199	3.9
258.10397	8.2
259.11142	17.3
260.11838	1.5
261.09103	4.5
261.12692	1.5
263.10565	1.3
265.10178	3.1
266.10818	1.8
267.11691	3.7
268.08762	1.2
268.12320	1.1
269.09619	5.0
269.13043	1.1
270.10300	2.5
271.11154	7.1
271.17029	1.3
272.11908	1.8
273.09509	1.5
273.12735	8.4
274.10269	1.0
274.13504	2.4
275.11047	1.3
275.14316	3.8
283.11282	4.5
283.14148	1.2
284.11990	2.1
285.09659	1.4
285.12766	4.2
286.09845	1.3
287.10706	2.3
287.14072	1.6
289.12332	2.0
291.17456	1.2
293.13297	1.0
295.11136	1.3
296.12000	1.4
297.12747	2.9
297.18512	11.4
299.14212	2.1
301.12192	2.3
301.15897	1.2
303.13773	1.5
305.18912	1.7
315.17432	2.1
317.18958	2.1
321.18472	3.0
325.19360	1.1
327.17575	1.2
328.18036	1.2
329.19131	1.4
331.16580	1.1
331.20361	1.5
341.18964	1.8
343.20535	4.7
345.18466	3.1
351.20923	2.0
353.18854	5.2
355.20529	1.6
357.22244	1.3
359.23792	2.8
363.00687	1.0
369.22122	8.4
371.20026	28.7
385.21701	3.3
386.22287	2.7
387.23141	19.7
397.21713	1.2
415.22708	1.7
453.31503	1.1
471.32520	2.7
481.30991	9.2
499.32010	100.0
500.32462	4.8
522.38379	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1803
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13330	0.5
53.03921	1.5
55.01852	1.5
55.05502	1.1
57.03413	1.3
58.99565	0.7
62.08544	0.4
67.05476	2.3
69.03421	4.0
69.07049	1.6
70.05634	2.4
70.06576	3.1
71.04990	0.7
71.08617	1.3
72.08132	1.1
76.03980	0.8
79.05479	2.6
80.05024	0.6
81.03413	3.7
81.07033	2.4
83.04964	1.4
84.04489	7.3
84.08121	2.3
85.02890	11.0
85.06522	0.8
86.09690	1.0
86.98992	0.8
87.00803	3.7
91.05458	2.3
93.07043	2.6
95.04948	1.0
95.08582	1.8
96.04452	0.8
97.02857	3.0
97.06495	1.7
98.20796	0.8
98.77054	0.5
99.04432	2.0
103.05421	1.0
105.01844	4.3
105.05443	0.7
105.07009	2.9
107.04931	1.3
107.08540	1.3
108.04463	0.7
109.02874	3.7
109.06493	0.5
109.10124	1.1
111.04413	0.6
112.02169	1.1
116.01653	1.0
117.06995	0.9
119.08537	1.7
120.08073	1.5
121.06480	7.5
121.10119	1.4
123.04430	0.6
123.08058	0.6
123.11662	0.6
124.83009	0.5
126.05541	0.5
127.03897	6.2
128.03389	1.5
129.01860	0.7
131.08504	1.1
133.10118	0.9
135.08015	1.0
135.11694	0.7
136.03931	2.1
137.04187	1.0
137.05963	3.2
140.01611	1.2
142.03195	1.7
144.01099	0.7
145.04939	2.2
145.06438	2.4
145.10115	1.4
147.07953	1.0
147.11630	1.8
149.05957	8.3
149.09599	0.9
151.07535	0.6
152.03432	0.9
157.10083	0.8
159.02855	1.9
159.11754	0.7
161.05957	11.5
162.02151	0.5
163.07503	1.6
163.11150	2.8
168.01060	0.8
170.02728	0.9
173.05959	2.3
173.09541	1.2
173.13206	0.6
175.07515	1.1
175.11200	0.8
179.07007	8.5
186.02112	1.0
187.11195	2.6
189.12799	0.6
191.06993	12.9
191.10635	11.3
193.12131	1.2
205.12279	1.6
209.05598	0.6
209.11589	0.6
215.10626	6.3
215.14259	1.0
223.11485	2.2
231.04941	1.1
233.11694	23.2
233.15381	1.3
243.04245	0.8
251.12752	100.0
252.13043	1.4
269.12091	2.9
287.03366	0.9
293.13794	0.8
313.05081	0.6
319.18829	0.6
337.23743	0.6
352.15695	7.7
364.60132	0.5
372.14615	0.6
378.13739	0.6
396.14642	2.8
437.18787	0.8
455.17480	0.8
499.16379	1.8
499.22440	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.114
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73692	1.6
55.38075	1.7
56.96555	9.1
57.56158	1.6
69.03410	2.3
70.06573	4.0
71.35042	3.2
72.21665	1.5
74.06042	2.0
82.99876	2.3
84.04475	2.4
84.08115	4.6
84.96014	2.3
85.02892	4.8
86.09684	2.3
97.02891	4.8
98.97577	16.7
101.00871	7.5
101.17019	1.6
103.02415	4.0
106.04846	2.1
110.07148	2.0
110.97527	3.7
116.98627	11.3
119.01913	30.3
121.03424	3.0
123.05524	3.7
126.05477	1.9
127.02410	4.7
127.03828	3.7
128.98587	9.4
131.00157	1.8
131.01901	15.4
133.03426	3.4
134.99596	5.6
136.06158	5.7
136.07559	3.0
137.02925	5.6
143.00107	4.4
143.01869	18.3
145.03450	54.5
146.99626	6.2
147.01332	3.4
149.02924	5.9
153.04012	2.1
155.01862	22.9
156.98100	1.9
157.03432	20.2
158.99654	7.3
161.01193	5.9
161.02925	26.0
163.04581	8.5
165.00647	2.6
167.01865	9.4
169.03432	3.1
170.99641	7.1
171.01166	3.1
171.04926	3.9
173.02946	55.2
173.04466	2.8
174.03163	1.8
174.99155	20.6
175.04486	6.2
177.00703	11.7
179.02039	2.5
182.99692	4.1
185.02943	52.1
186.03046	2.8
187.04488	6.6
189.00647	9.0
189.02409	8.1
189.05989	2.2
191.03929	6.5
193.00192	33.8
193.01891	3.7
196.04430	1.9
197.02937	17.6
199.00832	2.7
199.04489	5.5
201.00737	13.6
201.06131	2.0
203.03969	22.9
207.22163	1.9
209.02956	2.9
211.01213	3.4
215.03947	12.1
217.00122	11.0
217.01917	44.3
217.05301	2.5
219.01738	18.8
221.05110	8.4
227.03946	9.6
229.01915	10.6
233.08098	4.5
234.99309	2.1
235.01155	5.4
235.03125	20.5
237.02792	9.5
239.03999	2.3
243.01677	3.8
245.05051	100.0
246.05180	2.9
247.03076	11.1
247.06590	4.3
251.08992	3.2
253.04109	3.0
257.05112	10.8
258.04803	2.2
261.02768	18.1
261.05740	11.7
263.06088	15.1
265.04150	3.1
273.08255	3.1
275.06165	14.4
276.06085	2.3
277.04202	16.9
279.03824	10.8
280.57059	1.8
291.03482	3.1
293.07199	5.4
301.04178	12.7
305.07068	13.1
319.05463	23.5
321.04984	12.6
335.08188	7.1
337.06387	35.8
337.09830	4.3
351.05771	2.0
362.73987	1.7
365.05338	5.1
365.09280	12.7
379.53336	1.8
399.08020	3.8
439.12814	3.4
481.08795	8.3
499.10785	67.5
500.11206	2.9
518.60736	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1439
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88538	0.4
54.56109	0.4
55.01865	0.6
69.03410	1.0
70.06573	0.8
70.68570	1.4
81.03397	0.6
85.02879	1.0
86.09720	0.4
86.78107	0.5
87.00823	0.6
89.41829	0.4
91.05464	0.5
97.02930	0.5
109.02865	1.0
115.05447	0.8
117.07022	2.5
119.08531	0.7
127.03947	1.0
128.06216	0.8
129.07002	2.4
131.04901	0.5
131.08582	0.7
141.06995	0.5
145.06461	3.8
147.04404	1.0
147.07993	2.5
149.05923	0.6
157.06480	1.4
159.08058	2.8
161.05923	1.7
162.06747	1.3
172.05200	0.7
173.05968	3.4
175.07474	2.4
177.09102	2.0
185.05946	1.4
187.07471	3.8
189.05493	0.5
190.06245	4.3
191.07028	0.9
201.05466	1.3
202.06007	0.4
203.07005	1.0
204.07878	0.6
205.08572	28.9
215.06966	1.5
218.05632	0.8
223.09592	1.7
233.08055	67.2
234.08363	1.5
251.09111	100.0
252.09448	1.9
264.40430	0.4
268.11566	0.8
295.10809	0.9
296.11081	1.2
313.11841	2.3
314.12140	5.5
340.09976	1.2
385.62204	0.4
455.19748	1.2
499.14655	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.3994
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	3.0
56.25462	0.6
57.07069	38.3
58.69873	0.6
62.37593	0.5
63.91805	0.5
66.29386	0.5
67.05488	1.4
69.03435	0.7
69.07056	2.4
69.10088	0.5
70.48849	0.5
70.81039	1.3
70.81399	1.3
71.08623	27.2
73.06545	6.9
79.05490	1.1
81.03396	1.2
81.07019	1.0
83.08621	3.4
85.02867	0.6
85.05178	0.6
85.10169	22.5
86.09695	0.8
87.04459	3.9
89.06020	100.0
90.06388	0.6
91.05473	1.3
91.07578	0.8
93.07027	1.9
95.04939	0.6
95.08591	1.1
96.93546	0.6
97.10174	3.0
97.25240	0.6
99.11714	3.6
104.06348	0.6
104.10725	1.0
107.07071	4.3
107.07690	0.6
107.08559	0.8
108.07511	0.6
108.19855	0.5
111.11697	1.2
113.13265	1.7
117.09096	4.6
130.08632	3.8
131.07051	1.7
133.08588	54.0
135.10121	1.5
151.09656	0.9
155.17900	4.6
161.11708	1.4
175.09737	0.6
177.11203	24.5
184.07349	0.9
195.12192	1.1
199.20508	4.6
221.13786	4.5
239.14932	3.0
240.23296	2.3
243.23169	12.7
265.16693	0.8
283.17560	2.8
287.25793	9.0
327.20056	15.2
327.23691	0.9
372.33237	0.6
393.32217	1.1
400.01581	0.6
437.34988	2.1
480.40408	1.0
481.37292	29.0
482.37912	1.3
498.33514	0.9
498.40121	4.0
499.34219	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	499.0959
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22766	1.5
54.15788	1.4
56.96550	20.2
70.06566	1.6
71.61874	2.5
77.00891	1.6
79.75717	1.5
79.77776	1.4
81.03387	2.5
84.96013	5.6
85.02868	4.2
86.09692	1.7
94.46875	1.4
97.02839	3.8
98.96915	3.0
98.97565	52.8
101.00854	6.6
103.02456	3.5
110.97548	14.6
113.00816	3.2
116.98598	28.9
119.01893	22.1
121.03441	1.6
123.05540	2.1
127.02403	7.3
127.03855	1.9
128.98560	22.4
131.00146	6.8
131.01857	12.4
131.92480	1.5
133.03439	1.9
134.99643	9.3
135.04430	2.1
137.02934	3.0
139.02405	2.9
139.16440	1.4
140.98566	6.1
143.00130	8.8
143.01871	18.9
145.02397	2.7
145.03448	40.5
146.99612	18.7
147.01372	2.1
149.01198	2.9
149.02887	3.3
149.51878	1.6
152.05670	2.3
152.98509	3.2
153.03928	1.6
155.01828	22.9
156.98051	9.6
157.03447	14.7
158.99608	22.0
161.01181	14.4
161.02908	27.7
163.04407	3.0
165.00647	2.7
167.01913	6.5
167.21408	1.5
169.03395	3.3
170.99609	20.2
171.01335	4.6
171.05006	2.9
173.01381	3.1
173.02934	45.8
174.99117	69.9
175.04517	5.3
177.00676	21.8
179.01997	3.3
182.99622	9.1
185.02910	44.7
187.04492	4.8
189.00656	23.8
189.02429	6.8
191.03958	4.3
193.00174	88.5
193.03796	2.9
195.01791	3.0
197.02899	15.7
198.00650	2.0
199.00815	3.7
199.04465	3.0
201.00677	47.2
201.02515	3.6
203.03923	15.8
207.01747	3.6
209.02870	2.6
211.01169	6.0
211.04369	2.2
213.00722	2.7
215.03929	10.0
216.01846	2.0
217.00104	39.3
217.01923	35.6
217.05295	2.7
219.01721	46.9
221.03024	1.9
221.05054	4.9
227.04024	7.5
229.01949	8.0
231.01732	4.7
233.08069	1.6
235.01155	22.7
235.03006	13.7
237.02777	26.2
242.03246	1.8
243.01634	17.0
245.05034	79.5
247.00800	8.8
247.03012	5.9
247.06776	2.6
251.09076	4.1
257.05106	9.8
258.02682	2.1
261.02795	59.6
261.05554	4.0
263.06082	10.4
273.02731	5.6
275.06042	13.1
277.01938	6.3
277.04065	10.0
277.07367	2.9
279.03809	31.1
285.87613	1.6
286.45483	1.6
291.03772	12.8
293.04947	2.2
293.07422	2.5
296.12375	2.1
301.03931	5.2
302.05164	3.2
303.03897	1.5
305.07211	8.2
309.04727	2.4
319.03415	26.7
321.04822	28.3
333.04877	5.0
335.08170	5.0
337.04559	35.5
351.05811	9.6
361.04428	4.1
365.05185	2.6
365.09155	9.9
381.07037	9.1
399.08112	11.5
481.08633	24.8
499.09885	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.2541
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	3.8
55.01860	4.5
55.03397	1.4
55.05502	7.1
57.03407	5.2
57.07056	5.4
59.04995	15.0
60.81484	1.5
61.02916	2.2
61.11503	1.6
62.40962	1.5
67.05489	10.4
68.99789	1.6
69.03416	17.3
69.06710	2.1
69.07057	24.2
70.06577	6.9
71.04978	3.8
71.08605	2.0
71.63177	2.8
72.08146	8.1
72.21664	1.4
73.02900	4.7
73.06540	2.8
73.71402	1.5
79.05469	4.2
81.03410	16.8
81.07032	6.4
82.06564	4.1
83.08589	5.5
84.08121	6.9
85.02892	44.4
85.06500	1.8
85.10196	2.6
86.09677	4.5
87.00816	22.9
87.04457	5.8
89.06001	1.4
91.05447	3.3
93.07021	2.6
94.61520	1.4
95.08575	3.5
97.02885	23.0
97.06543	2.0
97.10146	11.3
99.04442	9.0
100.07578	2.5
105.01851	33.9
105.05488	10.6
105.07014	2.9
108.04385	1.8
109.02866	17.8
109.10146	19.3
111.04408	1.8
111.11701	18.0
114.31297	1.6
115.11172	8.1
119.08558	1.8
121.10104	3.5
127.03899	33.8
127.10266	3.2
127.11177	48.9
128.06192	5.3
129.01775	3.1
129.06981	10.1
129.12743	44.9
131.08517	3.1
133.10110	2.0
135.11646	2.0
144.05647	1.6
145.04929	13.5
145.12189	4.2
147.07997	1.8
148.69427	1.8
159.02863	6.1
159.08026	5.4
159.11716	1.6
168.06525	2.3
169.10097	1.6
172.05116	5.4
187.07533	34.5
200.04674	7.4
205.08582	8.5
213.03831	2.2
215.06989	100.0
215.16368	11.7
216.07318	4.3
231.04985	14.8
233.08032	9.8
233.17433	17.9
237.18452	3.1
239.11874	3.6
249.06050	5.2
255.19514	1.7
267.11264	3.6
269.17392	5.4
283.18979	4.3
295.10703	2.9
313.11774	15.4
341.11240	8.8
359.17075	2.0
373.13950	29.4
374.14246	2.6
466.19934	4.0
498.21915	1.9
498.28571	8.6
499.22076	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	498.3779
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49393	0.5
55.01829	0.4
55.05500	2.3
56.05004	0.5
57.03423	6.0
57.03711	0.6
57.07027	1.6
58.06586	24.2
59.07370	9.1
60.04470	0.7
60.08150	7.9
67.05489	5.8
69.07065	2.3
70.06540	0.6
70.30530	1.6
71.08587	1.1
73.02886	0.9
75.04458	3.8
79.05471	2.1
81.03384	0.9
81.07038	4.8
81.35488	0.3
83.08563	1.4
83.41319	0.4
85.02878	1.9
85.10123	0.8
86.09697	1.9
87.04446	4.8
87.09993	0.5
88.03965	1.9
89.05981	1.1
89.62063	0.3
91.05432	1.3
93.06981	1.6
95.04934	0.5
95.08090	0.4
95.08582	3.4
97.06503	0.4
97.10127	0.8
98.98405	0.7
100.11203	0.4
102.05505	0.5
103.03939	0.4
104.10748	2.1
104.11295	0.4
105.05471	0.6
105.06970	1.5
105.11032	0.6
106.04974	1.0
107.08550	0.9
109.10107	1.0
113.05941	0.6
115.28121	0.4
119.08574	0.5
121.10133	0.5
124.99940	1.0
131.06998	1.6
131.08502	0.4
133.08527	0.6
133.10034	0.8
144.10161	7.5
153.00995	0.4
155.00984	1.0
159.11639	0.6
161.13049	0.4
162.11201	4.7
166.64459	0.4
184.07248	2.6
185.07617	0.7
186.07742	0.9
188.09013	0.5
218.13860	0.5
236.14865	100.0
237.15242	0.7
313.27347	3.1
393.23810	1.1
435.03009	0.4
436.37872	0.9
480.36752	23.4
481.37189	0.7
498.37811	87.3
499.33960	1.9
499.39374	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.2539
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76257	1.1
53.03942	6.5
55.01866	4.9
55.05498	6.1
57.03421	6.8
57.07058	7.7
58.78574	1.0
59.04992	33.1
61.02904	6.2
67.05486	7.0
68.99774	2.3
69.03066	2.0
69.03419	29.3
69.07060	32.2
69.07446	1.9
70.06576	5.2
71.04985	4.7
71.08622	4.2
71.63237	1.7
73.02909	6.0
73.06537	11.3
76.03980	1.2
77.06039	2.2
79.05484	3.6
80.05006	1.0
81.03403	25.7
81.07041	10.4
83.08602	1.6
83.58390	1.1
84.04494	8.0
84.08141	2.8
85.02891	81.9
85.06532	1.6
85.10182	1.7
86.09695	3.1
87.00815	33.3
87.04447	6.9
88.15436	1.1
91.03925	2.5
91.05481	6.0
93.07044	3.7
95.04955	1.9
95.08606	2.1
97.02876	48.5
97.06506	2.4
99.04444	15.0
100.07586	1.8
105.01849	73.7
105.05499	15.1
105.07006	4.4
107.08584	2.7
108.04475	2.5
109.02862	29.0
109.06535	1.3
109.10171	3.3
111.04420	1.8
111.11702	36.9
115.03945	2.1
117.01825	2.9
119.08553	3.5
120.08065	2.0
121.10143	1.5
123.04395	2.7
123.11663	2.3
126.05531	1.4
127.03898	66.7
127.11143	1.4
128.03404	2.4
129.01868	3.9
129.12733	100.0
130.13092	2.1
133.10150	1.9
135.11673	1.8
136.03946	2.2
137.55452	1.0
140.01619	1.9
145.04939	34.0
147.02847	1.8
147.11649	4.3
148.07593	1.5
149.05939	1.9
149.13289	2.5
151.37398	1.1
159.02869	13.3
159.11642	3.0
168.01140	2.3
177.12752	3.1
189.03979	2.1
195.06493	1.7
205.08542	1.8
213.03909	7.6
215.16415	4.5
223.11597	1.4
231.04968	27.4
233.17474	3.8
237.14809	1.9
243.15894	1.8
249.06026	11.7
269.11737	1.1
269.17462	9.8
299.00711	1.2
313.11765	2.0
334.14749	1.5
352.15747	12.4
359.16818	3.5
373.13821	2.0
498.18298	5.2
498.28458	3.6
499.17035	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.1413
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59833	0.7
55.05494	1.3
56.05013	0.9
56.96548	0.9
62.44371	0.7
62.98499	0.8
66.75748	0.8
69.03426	1.7
69.68345	0.8
70.06574	5.1
71.62890	1.5
72.08144	2.6
73.39769	0.7
84.04517	0.9
84.08139	3.7
85.02883	1.0
86.09698	3.5
89.57715	0.8
98.97551	1.7
102.05543	0.9
110.07147	1.5
116.98573	0.9
120.08097	1.9
127.03983	0.8
129.10249	1.8
136.07552	0.8
183.78590	1.1
205.04984	1.3
206.05766	2.4
212.98320	0.8
217.04857	1.2
219.01604	1.1
237.02821	1.8
249.07539	8.9
295.10504	1.0
313.11783	6.9
339.09790	1.6
365.08917	3.7
402.18021	0.8
453.18433	1.2
454.19687	1.7
479.16449	0.9
497.14111	100.0
498.14594	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	496.4198
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	3.0
57.07067	30.4
59.05000	1.2
67.05460	0.9
69.07050	3.6
70.60130	2.2
71.08620	30.6
73.06541	5.7
81.07050	1.7
83.08608	3.3
85.10169	18.2
86.09656	0.7
87.04450	3.0
89.06018	100.0
91.07603	0.9
95.08598	1.0
97.10161	3.6
99.11735	2.8
104.10735	0.7
107.07059	3.2
111.11712	3.2
113.13264	1.1
117.09116	3.0
125.13275	1.0
127.14869	1.3
130.08640	4.1
131.07021	1.2
133.08585	51.6
134.29538	0.7
135.10176	1.4
139.14873	0.7
141.16402	1.2
158.17525	0.7
161.11717	0.8
172.11508	1.5
177.11209	22.4
195.12340	2.9
197.22601	1.5
221.13882	2.0
239.14897	4.3
241.25337	2.5
254.24887	1.0
265.87781	0.7
283.17456	31.6
285.27835	9.3
329.30322	3.7
391.34113	1.7
435.36548	1.9
479.39386	33.7
496.35345	1.6
496.41977	2.7
512.76135	0.8
520.68719	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.1284
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62206	0.3
53.03915	1.3
54.47109	0.3
55.01844	1.4
57.02225	0.4
57.03411	0.9
61.02882	0.5
68.99761	0.5
69.03416	4.9
70.06562	0.4
71.04961	0.9
73.02899	0.7
81.03403	5.4
84.08103	0.6
85.02892	7.6
86.79147	0.3
87.00807	3.9
91.05433	1.1
97.02896	2.3
99.04420	1.5
105.01836	1.5
109.02871	4.9
115.05418	0.7
117.01857	0.6
117.06998	1.7
119.08521	0.9
126.51642	0.4
127.03897	4.8
128.06187	1.3
129.01828	0.5
129.06985	1.9
131.04886	1.6
131.08615	0.6
131.97079	0.4
132.05649	0.5
135.08009	0.7
145.04968	1.8
145.06468	4.5
147.02896	0.5
147.04288	0.5
147.08011	1.1
155.04910	0.9
159.02869	2.1
159.04379	1.1
159.07999	0.7
160.05157	3.1
161.05966	2.5
163.07523	2.3
170.03539	0.4
171.04390	0.6
172.05180	2.9
173.02264	2.2
173.05940	1.8
174.03072	0.9
175.07524	4.8
180.77104	0.4
185.05952	6.9
187.03926	0.7
187.07533	1.2
188.04652	43.5
189.05035	0.9
203.06996	90.4
204.07303	1.3
205.08539	3.2
206.05714	0.9
216.04153	1.9
229.71260	0.5
231.06490	100.0
232.06902	1.4
249.07544	94.1
250.07890	1.3
497.19394	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.3629
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	3.6
57.03433	6.7
57.07063	2.5
67.05499	18.6
69.07057	4.8
71.04980	1.3
71.63747	1.3
79.05481	18.7
81.07046	100.0
82.07338	1.3
83.08617	2.0
89.06014	5.0
91.05473	4.4
93.07036	11.0
95.04965	1.4
95.08590	13.2
99.08083	4.9
104.10719	3.7
105.07015	5.0
107.08569	5.7
109.06474	1.6
109.10148	4.7
117.07060	1.7
119.08546	2.1
121.10133	6.9
123.11641	2.4
127.07562	5.5
131.08546	3.4
133.08612	2.6
133.10115	3.2
135.11665	4.8
140.80540	1.1
145.08575	9.0
145.09570	1.1
145.10066	1.0
149.13242	2.6
150.76497	1.1
161.13258	1.5
163.14828	1.6
170.44893	1.1
173.13287	2.8
184.07335	3.6
199.09648	1.2
201.11189	56.0
243.21146	1.5
261.22086	8.1
272.53894	1.3
283.17468	3.7
317.24707	1.1
335.25775	42.8
336.25934	1.4
461.32574	15.9
470.58636	1.2
496.45834	6.2
515.30115	1.3
515.67450	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.3387
Annotation	PC(16:0/0:0)[U] / PC(16:0/0:0)[rac]
Peak:m/z	Relative Intensity
55.26067	0.3
56.05017	0.9
57.03421	0.4
57.07067	2.6
58.06587	1.4
60.08151	13.4
63.98715	0.4
67.05476	0.8
67.17300	0.4
70.52592	1.2
71.07356	4.7
71.08607	1.5
81.07035	0.5
82.63144	0.3
83.08631	0.4
85.10160	0.8
86.09690	42.4
95.08595	0.7
97.12342	0.3
98.98443	3.0
102.16463	0.4
104.10725	100.0
105.11081	0.4
109.10201	0.6
124.99985	23.5
143.01010	0.5
150.58070	0.4
161.45541	0.4
163.01530	0.7
184.07306	92.6
185.07719	0.8
197.84036	0.3
203.47186	0.3
258.11026	1.4
258.26730	0.4
313.27365	1.3
428.19977	0.4
478.32889	12.4
491.77805	0.4
496.33896	55.3
497.34091	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.3624
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.3
55.05497	13.3
57.03428	12.4
57.07054	5.6
57.22820	1.3
59.04967	3.7
65.03931	3.9
67.05492	100.0
69.03403	1.5
69.07053	8.7
69.33475	13.6
71.04973	4.1
71.08614	4.6
79.05478	33.4
81.03403	1.6
81.07043	32.9
83.04957	1.5
83.08588	7.2
85.06519	4.2
85.10162	2.4
86.06030	1.4
86.09698	2.0
87.04449	3.4
89.06030	6.9
91.05462	16.4
93.06455	2.7
93.07025	35.0
95.04939	4.5
95.08590	22.9
95.09166	2.3
97.06512	1.4
97.10164	2.7
99.08090	2.7
104.07064	3.5
104.10695	2.7
105.07008	8.5
107.08584	12.9
109.06506	2.0
109.10137	76.2
111.08067	3.4
117.07035	2.4
119.08562	10.3
121.09303	1.7
121.10117	19.3
123.11689	3.4
131.08546	7.2
133.08575	2.8
133.10086	7.7
135.11662	12.7
137.09569	3.3
138.78285	1.2
145.10060	6.1
147.11707	2.8
149.13219	4.7
155.10655	3.8
159.11652	3.9
173.11746	22.4
173.13251	3.8
183.52333	1.3
184.07315	3.8
215.17914	13.3
229.14310	84.3
230.14616	1.5
233.18932	10.8
244.20683	1.5
249.08116	1.2
283.17569	3.7
307.22610	84.7
316.73831	1.3
350.18390	1.4
461.32547	45.9
462.32718	2.1
478.42480	1.8
479.39371	2.6
496.32043	2.0
496.43555	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	496.3393
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05025	0.5
57.03423	0.3
57.07066	0.6
58.06347	0.2
58.06609	0.5
59.07389	0.3
60.08154	5.2
69.07071	0.2
71.07368	2.4
71.08607	0.5
81.07062	0.4
83.08607	0.2
86.09691	26.5
87.10021	0.2
95.08623	0.2
98.20728	0.6
98.98433	2.4
103.84666	0.2
104.10731	2.6
124.99983	17.0
143.00975	0.2
153.51424	0.2
156.91705	0.2
184.07310	100.0
185.07666	0.7
258.10953	0.3
313.27213	0.3
356.36526	0.2
382.44009	0.2
478.32846	1.6
496.26859	0.4
496.33942	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	495.1126
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.4
55.01893	0.4
55.05489	0.4
67.05490	0.4
69.03413	1.6
69.15525	0.3
69.96894	0.3
70.06580	2.8
71.02416	0.8
71.02763	0.5
71.04945	0.4
72.08129	0.7
73.02900	0.5
74.06077	0.4
79.05496	0.6
81.03405	2.2
81.07031	0.6
84.08150	1.8
85.02895	3.2
86.09684	3.1
87.00806	0.9
91.05441	0.4
95.08565	0.6
96.08150	0.3
97.02869	1.3
98.00775	0.4
99.04407	0.5
105.01837	0.7
107.04891	0.4
107.08551	0.4
109.02850	1.3
109.10151	0.5
119.08519	0.6
120.07295	0.4
120.08048	2.2
127.03888	1.8
129.10213	1.4
136.07533	0.5
145.04906	0.9
145.06473	0.7
149.09706	0.5
158.03667	0.9
159.02834	1.1
170.03650	0.7
171.04375	4.7
173.05956	7.9
175.03909	1.1
186.03084	11.4
187.03879	0.5
201.05432	30.7
202.06001	0.4
203.03372	3.8
204.03967	0.4
206.44739	0.5
214.02609	1.0
229.04953	7.2
232.03632	25.1
247.05981	100.0
248.06335	1.1
418.52438	0.4
495.18256	1.4
519.88849	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.2744
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.8
55.01866	2.5
55.05505	11.2
56.05022	2.7
57.03424	2.5
57.07067	2.8
67.05508	6.8
69.03421	10.7
69.06712	1.9
69.07057	24.1
69.74407	4.2
69.74831	4.9
70.06584	9.3
71.04967	6.3
72.08133	4.6
72.68742	1.3
73.02860	2.0
74.95223	1.3
79.05472	6.7
81.03400	8.9
81.07047	20.1
83.04961	4.1
83.08614	7.4
84.04487	3.7
84.08114	4.8
85.02894	22.0
85.06522	14.3
86.09699	11.3
87.00840	7.3
91.05439	3.7
93.07024	8.9
95.04961	2.9
95.08597	23.5
97.02897	8.5
97.06498	4.1
97.10144	6.9
98.21577	1.4
99.04436	4.9
99.08096	12.4
100.11234	5.3
103.03915	2.8
105.01888	7.6
105.06993	2.2
107.04927	5.3
107.08575	15.2
109.02871	8.1
109.06498	1.8
109.10124	8.7
111.04372	2.2
111.08042	2.5
111.11703	4.5
112.02164	2.0
113.09625	5.2
114.03744	1.6
119.08552	2.5
120.08083	3.3
121.10117	20.0
123.11671	5.9
124.07543	4.1
125.06001	2.2
125.09602	3.5
126.09098	2.2
127.03896	16.9
127.11180	1.6
129.10237	3.3
131.04887	1.6
135.11659	12.9
136.07553	1.9
137.05981	1.7
137.13231	14.6
139.11136	5.8
140.01607	2.3
142.03154	1.7
145.04939	5.9
145.06406	1.4
147.04416	2.2
149.13235	3.4
151.03796	1.6
151.14745	2.0
153.12709	4.7
153.68530	1.5
159.02843	4.4
163.05910	1.8
177.16376	48.7
181.08578	3.3
182.15433	2.3
184.07281	2.0
192.10223	2.7
194.04482	2.6
195.17421	25.5
210.14856	3.6
213.18463	100.0
214.18768	2.3
224.38718	1.6
231.04990	4.7
249.07671	1.9
256.16806	2.2
257.09155	5.9
273.08725	2.0
285.36365	1.5
287.10223	2.3
303.13312	5.3
307.10034	1.8
329.07642	2.5
350.14038	4.2
425.21786	1.8
452.17740	2.2
460.31799	1.9
461.23773	48.4
496.16370	5.6
496.21143	1.7
496.28409	11.6
496.37701	2.6
497.14859	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.3235
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	0.5
56.05018	0.4
57.03432	0.2
57.07052	0.2
58.06343	0.2
58.06611	0.5
60.08152	5.7
62.06068	0.2
67.05500	0.4
69.07062	0.5
70.06574	0.2
71.07356	2.3
71.24149	0.3
79.05472	0.3
81.07040	0.5
82.84119	0.1
83.08600	0.5
86.09690	27.2
87.10045	0.2
93.06968	0.3
95.08595	0.2
97.06481	0.2
98.98453	2.5
100.85081	0.2
104.10724	2.5
107.08563	0.1
109.10107	0.2
121.10103	0.2
124.99982	18.3
125.04269	0.2
135.11699	0.2
143.01045	0.3
149.02303	0.3
184.07307	100.0
185.07626	0.4
193.04912	0.2
237.07480	0.4
251.54140	0.1
258.10751	0.2
268.94647	0.1
284.29263	0.2
311.25626	0.3
379.45013	0.2
469.17310	0.2
476.31409	1.0
494.32330	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.3236
Annotation	Vinylamycin
Peak:m/z	Relative Intensity
55.05505	2.7
56.05020	1.5
57.03430	0.6
57.07057	1.2
57.31497	0.3
58.06590	1.1
60.08155	16.2
67.05477	0.9
68.05061	0.3
69.07053	2.5
71.07364	6.2
71.08607	0.9
71.63136	0.4
79.05464	0.8
81.07043	1.4
83.08617	2.3
84.04479	1.0
85.02888	1.1
85.10175	0.4
86.06078	0.4
86.09692	53.7
93.07032	1.2
95.08580	0.8
96.08137	0.6
97.10142	1.2
98.98452	3.1
102.05533	0.4
104.10728	100.0
105.11042	0.7
107.08566	0.5
109.10137	0.5
117.83054	0.3
121.10117	0.4
124.99986	28.4
130.04968	3.4
131.05350	0.6
143.01015	0.6
162.70026	0.3
163.01552	0.7
178.05536	0.4
184.07312	93.3
185.07669	0.6
192.17451	2.9
193.17853	1.8
220.20583	0.9
221.20885	1.2
258.10858	0.4
264.44559	0.4
311.25690	1.2
318.31564	0.6
319.31766	1.5
320.33160	1.8
321.33438	4.7
364.35349	0.7
365.35968	1.5
417.23602	0.5
433.35159	1.1
449.37347	0.6
450.37628	8.5
476.24469	0.6
476.31296	12.2
494.32141	41.1
494.40057	12.7
495.32312	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.3986
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02347	0.3
53.03902	0.5
57.07040	0.2
57.95220	0.1
61.33802	0.1
63.21766	0.1
67.05472	0.2
71.08594	0.1
71.34752	0.3
74.41219	0.1
79.05482	8.9
91.05445	0.2
93.07014	0.6
94.06496	0.1
95.04952	0.9
103.05451	16.6
104.06233	0.2
105.07014	1.3
106.06516	0.1
107.04940	9.5
107.07317	3.3
108.05267	0.2
120.08088	1.7
121.06445	0.5
121.08856	0.6
131.04909	4.5
134.09616	1.6
148.11134	0.3
149.05931	0.3
162.12648	0.4
164.07024	0.4
165.07834	0.3
169.46219	0.1
176.14281	0.4
178.08568	0.2
190.15834	0.5
192.10098	0.4
204.17436	0.3
206.18974	0.2
218.18881	0.6
232.20459	0.3
246.22057	0.2
255.12506	0.2
260.23782	0.3
268.13196	0.4
268.37344	0.1
274.25220	0.2
276.19531	0.3
282.14789	0.4
283.26321	1.4
316.29694	0.2
318.24185	0.4
338.20779	0.1
346.34619	28.5
347.34927	0.5
386.76633	0.2
450.39780	0.2
472.47513	0.1
494.39832	100.0
495.40213	2.9
503.28146	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	494.3233
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	0.7
56.05027	0.6
57.03421	0.2
58.06363	0.2
58.06615	0.4
59.07403	0.1
60.08154	6.1
67.05470	0.2
69.07051	0.7
70.06580	0.2
70.68227	0.2
70.68600	0.5
71.07365	2.4
83.08611	0.4
86.09692	31.1
97.10185	0.2
98.98446	2.4
101.70577	0.1
104.10728	3.7
107.45956	0.1
116.52791	0.1
116.99448	0.2
124.99986	19.8
141.66441	0.2
143.01042	0.3
166.02725	0.2
172.98701	0.1
174.98901	0.1
184.07310	100.0
185.07599	0.5
476.31424	1.8
486.65945	0.2
494.32346	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	494.3238
Annotation	Vinylamycin
Peak:m/z	Relative Intensity
55.05499	1.6
56.05019	1.0
57.03429	0.6
57.07050	0.6
58.06591	1.2
59.07368	0.3
59.88405	0.2
60.08154	16.2
60.50881	0.2
67.05496	1.9
69.07057	1.9
69.64149	1.9
71.07360	5.8
79.05464	1.2
81.07041	1.8
83.04939	0.3
83.08596	1.9
86.09692	47.2
91.78293	0.2
93.07024	0.9
95.08589	1.3
95.61667	0.3
97.10154	0.3
98.21455	0.5
98.98443	3.1
104.10726	100.0
105.07077	0.3
105.11038	0.3
107.04800	0.2
107.08556	0.5
109.10124	0.4
114.52659	0.3
121.10133	0.9
124.99983	27.1
135.11697	0.5
143.01028	0.3
149.02339	0.5
149.13164	0.4
163.01547	0.6
166.02618	0.3
184.07310	96.9
185.07646	0.8
227.88861	0.3
237.07462	0.6
258.10965	1.0
311.25772	2.5
417.24036	0.7
475.38443	0.3
476.31277	9.4
494.32336	41.7
495.32761	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.259
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.4
55.01859	2.5
55.05504	9.2
57.03421	3.2
57.07073	1.7
59.04995	1.5
60.04509	2.1
61.02916	2.3
67.05493	8.8
69.03419	12.0
69.07059	14.7
70.06573	2.9
71.04986	7.4
71.08607	1.3
71.62872	1.4
73.02906	2.7
77.78524	1.1
79.05479	5.5
81.03408	9.3
81.07041	15.8
83.04989	1.7
83.08609	8.0
84.04470	1.5
84.08139	2.4
85.02892	22.4
85.06517	4.0
86.09681	2.1
87.00832	7.3
91.05467	4.5
92.56588	1.1
93.07038	14.0
95.04966	3.2
95.08591	28.0
97.02881	10.0
97.06519	10.1
99.04454	6.5
99.08080	4.8
105.01871	8.9
105.07017	7.1
107.08588	20.6
109.02875	7.0
109.06507	8.2
109.10146	41.3
111.04446	1.2
111.08064	3.6
111.11691	3.6
113.09668	1.8
115.07558	9.3
119.08569	17.9
120.08055	1.5
121.06461	1.3
121.10122	13.2
123.08049	5.2
123.11673	9.1
125.09621	1.9
127.03895	12.7
127.11162	8.0
131.08545	1.3
133.10110	28.2
135.11676	31.6
137.09601	5.1
145.04945	5.6
145.05971	1.3
147.11661	3.7
149.13237	9.6
151.11147	2.4
153.12732	4.2
159.02901	4.4
165.12766	4.1
173.11743	2.2
175.14807	52.5
177.16368	33.0
193.15863	59.6
209.15280	2.1
211.13564	3.0
211.16904	100.0
226.29144	1.3
229.14218	1.8
231.04962	3.7
244.09642	2.3
246.11240	43.3
247.11520	1.6
274.72195	1.2
292.67236	1.2
423.19916	3.0
441.21005	1.4
444.18100	1.2
447.89700	1.2
458.30948	3.8
459.21994	1.7
462.44003	1.3
494.27292	1.6
495.15973	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	3.5
54.23850	0.9
55.01872	3.6
55.05510	6.1
60.04508	2.9
65.03937	1.1
67.05494	27.0
69.03416	7.6
69.07059	2.7
69.54716	8.8
70.06573	3.4
71.04974	2.6
71.08623	38.9
73.02908	1.1
79.05495	6.3
81.03411	10.7
81.07040	17.7
83.04967	4.8
83.08624	5.4
84.08161	1.1
85.02897	15.2
86.09696	2.1
87.00830	5.9
89.05279	1.0
91.05465	5.3
93.03388	4.0
93.07036	6.3
95.04966	3.5
95.08589	7.8
97.02868	7.7
97.06509	3.3
99.04441	3.3
99.08082	100.0
105.01873	6.2
105.07037	7.9
107.08577	2.0
109.02853	6.5
109.10144	1.6
111.04430	10.1
119.08567	5.8
121.10130	2.7
123.04396	2.1
123.08037	1.2
123.11735	1.5
125.05981	1.4
127.03901	12.5
129.01962	1.1
131.08521	1.4
133.10117	1.6
137.05948	1.9
137.13237	26.2
140.10675	1.7
145.04987	2.0
147.11671	27.7
149.13225	1.8
151.07501	1.1
154.08722	1.0
159.02863	1.6
165.12740	27.3
174.66148	1.1
175.11159	6.2
193.12210	39.6
193.15855	1.4
211.13268	51.7
229.14313	12.9
231.04979	2.6
246.11212	16.4
327.13290	1.3
379.16757	1.1
387.01999	1.2
405.15475	3.3
423.16641	6.3
440.30176	2.3
441.17395	3.4
458.31067	4.1
476.32678	1.2
494.27158	1.6
495.16074	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	494.2589
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47925	0.9
53.03930	1.5
55.01858	2.3
55.05490	5.7
56.05034	1.3
57.03426	1.3
57.07051	1.3
60.04518	18.9
61.77252	1.0
62.06068	5.2
62.48686	1.0
67.05488	14.1
69.03422	6.2
69.07050	6.6
69.50309	9.3
70.06573	4.8
71.04980	7.5
72.08144	1.3
79.05450	5.1
81.03409	7.0
81.07044	18.9
82.06570	2.6
83.04967	3.7
83.08589	5.1
83.83405	1.1
84.04485	2.3
84.08128	3.8
85.02892	13.8
85.06513	5.8
86.09689	5.3
87.00814	3.7
89.66328	1.0
91.05465	3.6
93.07030	11.7
94.06557	3.7
95.04952	3.7
95.08592	27.2
97.02894	3.7
97.06506	3.5
97.10156	1.4
98.20770	2.4
99.04436	18.8
99.08055	1.5
101.05997	2.5
105.01854	4.9
105.06999	4.7
107.04926	1.3
107.08564	11.3
108.08103	3.2
109.02862	4.6
109.06483	3.1
109.10129	17.3
111.08060	3.2
113.09615	1.7
115.07545	2.8
117.01800	1.3
119.07792	1.3
119.08536	7.1
120.08094	1.5
121.06490	1.1
121.10134	5.2
123.08059	1.7
123.11696	5.2
124.07560	1.9
125.09604	2.6
126.09114	1.4
127.03886	7.8
129.05450	1.6
129.10173	2.1
133.10110	8.6
135.11664	14.6
136.06223	1.0
136.07523	5.3
136.12042	1.3
137.05988	8.2
137.09598	6.3
137.13252	1.9
139.11171	1.6
142.07341	0.9
142.08575	3.8
145.04930	3.0
147.11652	3.4
149.13243	3.6
151.11125	1.6
151.14899	1.4
153.12692	4.3
154.08594	10.9
155.06998	2.1
159.02892	2.3
159.11685	1.0
163.14792	4.9
165.09271	1.0
165.16229	1.3
172.09648	5.8
175.14824	10.9
177.16394	2.9
181.10176	1.1
181.15848	2.5
190.10742	3.7
193.15846	19.5
195.17441	3.0
211.16891	100.0
212.17125	1.3
229.14362	1.3
229.18002	3.7
231.04903	1.4
243.46675	1.2
271.60501	1.1
301.17966	1.4
310.23999	1.3
314.26837	5.7
422.28769	2.5
440.29938	10.2
458.31067	42.3
459.22086	3.6
476.26459	1.0
476.32233	7.8
494.26605	1.3
502.57291	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.3363
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	5.1
57.03430	4.2
57.07067	48.0
64.87597	1.8
65.40129	2.2
67.05492	16.5
69.07062	11.2
69.57446	13.6
71.08618	38.9
75.04460	3.2
81.07036	21.1
83.08598	14.1
83.19456	1.8
85.02847	2.6
85.10169	21.9
95.08591	27.7
97.10146	6.8
98.21529	3.8
99.11778	2.2
109.10149	13.4
121.41553	2.0
123.11683	7.6
159.05423	2.3
200.45953	1.9
221.08096	4.9
221.22658	2.7
239.23650	38.5
244.54533	2.3
247.23183	1.9
257.24707	5.8
306.54599	2.0
313.27319	100.0
331.28268	3.8
347.17108	2.8
356.95190	2.0
449.36816	2.1
493.40787	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	493.3364
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76468	1.4
54.52501	1.7
54.52748	1.5
55.05496	7.1
56.30352	1.4
57.03427	4.3
57.07071	44.6
58.06574	5.8
61.02908	1.8
67.05492	12.5
69.07056	7.4
69.53078	8.8
69.53484	3.4
71.08229	1.8
71.08620	32.7
75.04470	3.4
81.07041	19.0
83.08603	14.1
85.02895	3.6
85.10177	18.1
86.09715	1.8
91.03934	1.9
91.14996	1.3
93.07037	1.8
95.08600	25.4
97.10169	7.8
105.07086	1.7
108.65250	1.5
109.10138	12.0
111.11734	2.4
119.08538	1.8
123.11680	5.9
127.03989	1.6
130.04990	6.0
137.13249	2.4
152.90921	1.9
184.07361	3.4
192.17455	4.7
194.40752	1.5
239.23651	35.4
257.24744	4.7
279.83542	1.8
313.27316	100.0
314.27576	2.8
320.32990	4.9
331.28311	3.8
335.60321	1.7
449.37454	2.6
493.40454	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	494.1655
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	0.2
53.03936	0.8
53.27908	0.2
55.01859	0.3
57.03412	0.2
60.02304	0.2
67.05493	0.3
69.03419	0.7
69.85921	1.0
70.06577	0.6
73.02903	0.3
77.03910	0.2
79.05478	1.0
81.03422	0.6
81.07059	0.3
84.04498	0.3
84.08114	0.4
85.02885	1.2
86.09682	0.4
87.00826	0.5
93.07023	0.2
95.04969	1.2
95.66219	0.1
97.02898	1.3
97.39803	0.2
99.04424	0.3
105.01839	0.5
105.04527	0.3
105.06997	0.2
107.04943	100.0
108.05238	0.9
108.08127	0.2
109.02879	0.5
109.10173	0.2
110.07227	0.2
119.08638	0.2
121.06480	0.3
125.02371	0.2
127.03874	0.8
129.10275	0.2
133.06403	0.3
136.12039	0.2
145.04942	0.4
145.06454	0.2
147.57076	0.2
147.89304	0.2
149.05992	0.3
159.02866	0.5
161.05959	1.1
162.14426	0.2
173.05858	0.2
177.01472	0.2
187.07570	0.4
197.05975	0.3
201.05518	0.2
215.07033	0.7
217.04868	0.2
231.06506	0.5
233.08151	0.2
245.04408	0.5
246.04820	0.2
261.00604	0.2
297.90128	0.2
374.99237	0.2
494.19730	0.2
494.27856	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.4403
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01844	0.7
55.05497	2.4
56.05018	1.6
57.07063	3.0
67.05486	3.7
69.07048	3.4
69.37389	9.0
70.06593	1.0
71.08615	2.1
72.04506	3.0
79.05478	2.7
80.05000	1.7
81.07052	3.7
82.06566	1.8
83.08607	2.5
87.04455	1.5
91.05476	2.3
93.07066	4.0
94.06552	3.5
94.76276	0.8
95.08594	4.1
102.05541	1.4
102.59704	0.8
103.05507	0.9
105.07007	1.6
107.08572	2.2
108.08105	2.7
109.10120	1.8
119.08571	1.4
121.06477	2.7
121.10060	1.4
122.09679	1.2
128.07117	1.2
135.11649	1.1
140.07062	1.0
152.07108	2.3
154.12224	0.9
166.08630	1.4
168.10173	1.4
171.14882	0.7
180.10194	1.5
192.17542	1.4
220.20551	7.1
234.22144	7.7
236.23659	0.9
248.23682	4.3
252.95146	0.9
262.25320	2.8
276.27039	0.8
282.24231	2.7
290.86588	1.0
292.22754	1.7
306.24304	4.5
308.26016	1.5
320.25760	0.9
344.33029	1.2
372.36234	1.6
374.37759	11.5
402.41000	1.0
446.39670	1.5
448.41425	77.8
449.41827	4.1
450.42874	2.3
492.44077	100.0
493.45105	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	492.4404
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65808	0.3
52.40015	0.2
55.05435	1.9
56.04991	0.4
57.06998	1.6
59.11428	0.3
67.05419	3.2
68.04955	0.5
69.03374	0.4
69.06982	2.4
70.06512	0.5
70.33219	1.2
71.08572	0.7
79.05483	1.6
80.05004	6.3
80.05412	0.4
81.03317	1.2
81.07045	3.6
82.06489	0.8
83.08611	1.2
85.10130	0.2
86.05982	0.9
87.04456	11.8
89.05939	0.6
91.05419	0.5
93.07023	2.5
94.06489	0.8
95.08582	2.5
96.08109	1.7
97.10076	0.9
98.06051	2.5
98.98360	0.9
104.07015	0.3
105.06948	0.4
107.08490	1.0
108.08091	1.3
109.08850	0.4
109.10109	1.3
112.07503	0.6
112.57403	0.3
119.08533	0.4
120.05352	0.2
121.10043	0.8
122.09588	0.8
124.07484	1.1
133.08479	0.3
135.11566	0.4
136.07562	1.3
140.10596	0.2
150.09039	0.5
154.49628	0.3
155.00916	1.1
164.14256	0.4
166.08627	5.8
168.09935	0.3
177.11201	0.4
178.15717	0.4
180.10069	1.1
181.10847	0.6
182.11636	1.0
184.09627	1.7
192.17348	0.8
194.10278	0.3
194.11746	3.3
195.12340	0.7
202.82216	0.3
206.19000	2.7
208.13138	0.5
208.20531	0.6
220.20595	2.4
222.14951	0.3
222.22032	0.6
234.22137	2.6
236.23544	0.7
248.23679	1.7
250.25121	0.5
262.25244	0.6
268.22662	0.7
278.21091	0.8
282.24133	0.6
292.22647	2.5
294.24255	0.6
296.25729	0.5
306.24310	1.2
308.25793	0.5
320.25720	1.9
332.32983	0.7
334.27081	0.5
334.34607	0.3
339.22681	0.3
339.28909	2.1
360.36240	3.4
362.37787	6.0
376.94818	0.3
446.39893	0.8
448.41443	82.6
449.41837	3.8
450.42969	0.9
475.28369	0.4
492.44073	100.0
493.44415	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	492.44
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62623	0.3
55.05500	2.7
56.04996	0.5
57.07065	1.6
59.04962	1.1
67.05493	2.8
68.04989	0.7
69.07056	3.1
69.28049	3.3
70.06554	0.7
71.08619	1.5
72.03030	0.3
72.08147	2.2
73.06516	0.6
79.05432	1.3
80.04993	2.8
81.03389	0.5
81.07037	2.8
82.06544	0.6
83.04928	0.5
83.08610	1.8
84.08091	1.1
85.10150	0.3
86.09647	0.4
87.04446	2.6
89.05988	0.9
91.05434	0.9
91.12006	0.3
93.07024	2.2
94.06582	1.6
95.07289	0.8
95.08052	0.3
95.08585	2.5
96.08076	1.3
97.06503	0.4
97.10116	1.0
98.06030	0.4
98.09607	0.5
98.98432	0.7
101.05954	1.2
102.09123	1.0
105.06994	0.7
107.08524	1.2
108.08101	1.5
109.08894	0.5
109.10103	1.2
110.09624	0.9
111.11657	0.3
119.08529	0.8
121.10081	1.3
122.09671	1.9
122.10413	0.5
124.11166	0.4
125.24403	0.3
126.09130	0.5
130.08615	0.7
133.08556	0.4
133.10091	0.5
135.11696	0.7
136.11160	1.1
150.12737	0.6
152.10634	1.0
155.00943	0.7
156.10068	0.4
160.81699	0.3
166.08566	1.1
177.11182	0.4
180.10187	4.5
191.18021	0.3
192.17441	4.6
194.11681	1.0
194.19000	0.6
196.13263	0.7
198.11195	1.1
206.19011	3.6
208.13335	1.5
208.20680	0.6
220.20552	7.7
222.22090	0.7
234.22116	4.2
236.23724	2.3
248.23665	2.7
250.25287	0.4
262.25208	1.0
264.26764	1.2
276.26736	0.5
278.20935	0.5
282.24213	1.9
290.28421	0.7
292.22595	0.9
294.23959	0.4
306.24274	2.0
308.25909	0.4
310.27454	1.4
320.25745	1.2
322.27341	0.7
334.27390	1.3
336.29141	0.4
339.28876	2.3
346.34613	10.3
347.35083	0.8
348.36139	0.7
360.36084	1.0
362.37567	0.6
402.40854	1.5
446.39755	0.7
448.41428	72.6
449.41837	3.2
450.43100	0.7
475.03134	0.3
492.44034	100.0
493.44458	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	492.3826
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17162	0.2
53.03915	0.5
67.05463	0.3
71.21261	0.6
74.76885	0.2
79.05478	9.5
81.07018	0.3
87.04433	0.2
91.05466	0.3
93.07030	1.0
95.04937	0.8
103.05445	18.4
104.05694	0.2
105.06998	1.7
107.04929	10.8
107.07333	0.4
118.06530	2.9
120.08088	0.4
121.06477	0.7
127.95589	0.2
131.04906	5.0
132.08066	2.6
133.08821	0.6
134.09642	0.2
144.08051	0.3
146.09618	4.7
149.05966	0.5
160.11180	0.8
175.23485	0.2
176.06976	0.2
188.07082	0.3
188.14278	0.6
190.08607	0.4
202.15894	0.6
216.17526	0.5
218.18988	0.2
230.18921	0.4
244.20581	0.3
245.51611	0.2
246.22069	0.4
247.21819	0.2
258.22189	0.3
266.11731	0.5
272.23883	0.3
280.13382	1.0
281.14114	0.3
294.14972	0.7
308.16724	0.3
316.22488	0.2
344.33060	23.0
345.33481	0.8
448.40735	1.1
492.38248	100.0
493.38565	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	492.3828
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03902	0.6
64.71480	0.2
69.78598	0.6
69.79031	0.6
72.08159	0.2
77.03910	0.2
79.05482	10.9
91.05453	0.4
93.06989	0.8
95.04949	1.2
100.04758	0.2
103.05452	20.9
105.04466	0.2
105.07018	1.8
107.04939	11.4
107.07273	0.3
114.38132	0.2
118.06524	4.6
120.08018	0.2
121.06448	0.9
130.06497	0.3
131.04913	5.5
131.07237	0.2
132.07169	0.2
132.08081	2.6
133.08812	0.7
144.07994	0.3
146.09624	5.1
149.05936	0.4
160.11185	0.8
174.12726	0.3
188.07072	0.3
188.14267	0.6
190.08566	0.3
202.15828	0.6
216.17471	0.6
218.18987	0.3
230.19016	0.4
232.20676	0.2
244.20578	0.6
244.88519	0.2
246.14871	0.4
246.22102	0.6
258.22144	0.3
260.23779	0.3
266.11725	0.9
272.23737	0.4
280.13336	0.4
288.19559	0.3
294.14853	1.0
344.33069	26.4
345.33438	1.0
358.27582	0.2
492.38290	100.0
493.38702	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	492.273
Annotation	Zygosporin E
Peak:m/z	Relative Intensity
53.03927	0.6
55.05500	15.8
56.05018	0.6
57.07062	3.3
57.98781	0.7
58.99573	16.0
61.00876	0.2
61.01141	1.9
63.33804	0.2
66.04367	0.3
67.05497	1.8
67.64149	0.2
69.07054	28.9
70.06556	0.4
70.07370	0.3
70.31770	1.1
71.08616	2.4
73.01130	1.7
75.02692	0.8
75.35297	0.3
76.02215	12.3
76.03986	3.7
79.05479	0.4
80.04997	0.6
81.07036	2.3
83.06084	1.7
83.08604	15.0
84.04488	10.5
85.01102	1.1
85.10156	2.2
86.99034	12.1
87.02688	1.9
88.02201	4.0
93.07024	0.6
95.08595	2.2
97.10150	19.6
99.02692	0.4
99.05550	1.7
101.04230	0.6
102.05533	0.4
103.02179	0.6
107.06065	0.4
107.08578	0.4
109.07608	0.3
109.09472	0.3
109.10124	1.8
110.16656	0.3
111.11700	9.6
113.04188	0.6
114.03754	0.7
116.01653	59.2
117.03719	0.5
121.10146	0.4
123.11680	0.6
125.13229	1.0
129.06560	3.3
129.49229	0.3
130.04987	3.1
131.08534	0.3
132.47375	0.3
137.05919	0.5
142.03186	4.8
144.01115	26.6
145.06039	1.7
153.06561	0.6
162.02167	100.0
163.02449	0.8
165.16293	0.3
170.02687	1.7
179.04816	2.3
181.06053	0.6
185.19006	1.2
187.05359	0.7
187.07051	0.3
193.96635	0.3
199.07129	0.5
199.15117	0.7
213.16609	0.7
215.14520	0.3
225.16679	0.7
231.06493	0.3
233.05879	0.8
242.17337	0.3
243.17738	24.7
244.18098	0.7
245.05910	1.4
247.05835	0.3
257.07910	0.3
260.20456	3.0
274.10175	0.5
286.93616	0.3
294.38058	0.2
307.39182	0.3
328.19330	0.7
345.20178	1.9
346.20404	34.5
347.20792	0.8
351.21622	0.3
363.23044	23.1
364.23154	0.4
399.22699	0.5
417.24075	11.1
429.24197	0.5
461.12411	0.3
474.26312	1.1
475.24567	0.9
492.27277	9.1
493.27719	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2732
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	0.3
55.05503	14.5
55.69921	0.3
56.05019	0.7
57.07070	3.9
57.98793	0.7
58.99274	0.6
58.99577	15.7
61.01128	1.8
67.05495	1.6
69.07058	28.8
69.29886	0.3
71.08627	2.2
71.34768	0.7
73.01126	1.2
74.16171	0.3
74.27917	0.3
76.02216	11.3
76.03987	3.0
79.05486	0.4
80.04995	0.6
81.07036	2.0
83.06094	2.2
83.08606	15.1
84.04492	8.7
85.01134	0.4
85.10175	2.4
86.99037	12.8
87.02691	1.4
88.02190	3.1
93.07020	0.5
93.30034	0.3
95.08595	2.0
97.10155	19.8
97.83686	0.3
99.02666	0.5
99.05563	1.2
100.02197	0.3
101.04253	0.4
102.05490	0.3
107.08601	0.5
109.10144	1.2
111.11706	9.7
113.04173	0.5
114.03728	0.4
116.01660	54.2
117.03738	0.3
121.10093	0.3
123.11661	0.4
125.13258	1.1
129.06573	3.2
130.04984	2.8
141.04785	0.3
142.03209	5.4
144.01123	27.3
145.06044	1.8
153.06578	0.5
162.02177	100.0
170.02701	1.5
179.04869	1.6
181.06020	0.5
185.18944	1.4
187.05392	0.5
199.15047	0.4
199.95691	0.3
211.07224	0.4
212.67778	0.3
213.16675	0.7
215.04851	0.5
215.14601	0.3
225.16621	0.5
233.05862	0.6
243.17749	18.8
245.05826	1.4
255.77020	0.3
260.20377	1.8
261.64618	0.3
271.17032	0.4
274.10300	0.6
328.19351	0.8
345.20340	0.8
346.20425	37.9
347.20743	1.0
363.23062	18.9
364.23389	0.4
399.23154	0.4
417.24103	16.9
429.24048	0.4
474.26312	1.4
475.24722	0.6
483.80310	0.4
492.20615	0.6
492.27328	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	492.2435
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13810	0.4
53.03941	1.1
55.01869	0.8
55.05495	2.1
57.03429	2.2
57.07066	0.5
58.99574	0.3
59.04995	1.6
61.02908	0.5
65.03938	0.6
67.05494	2.4
69.03422	2.9
69.07059	4.1
70.06586	3.3
70.07672	2.1
71.04984	1.3
72.08147	1.4
73.02910	0.5
79.05483	13.9
81.03394	2.1
81.07047	19.1
81.26239	0.3
82.07369	0.4
83.04975	1.3
83.08605	1.0
84.04514	0.8
84.08144	1.8
85.02895	5.8
85.06539	1.1
86.09693	3.3
87.00823	2.0
91.05463	3.4
93.07027	8.3
95.04958	1.7
95.08591	5.9
97.02874	3.5
97.06512	3.3
99.04445	1.6
99.08098	0.5
105.01851	2.9
105.07035	6.2
107.04946	3.2
107.08581	51.6
108.08886	0.5
109.02856	2.0
109.06495	5.2
109.10143	2.7
110.07191	0.4
111.08076	0.6
115.07544	1.1
117.01894	0.5
117.07008	0.4
118.93380	0.4
119.08573	4.6
120.08104	1.7
121.06520	1.1
121.10128	16.3
122.10476	0.5
123.08060	3.5
123.11687	0.5
125.06010	0.5
125.09627	3.5
127.03896	4.9
129.06979	0.4
129.10216	0.8
131.08534	1.4
133.10117	3.8
135.08040	1.1
135.11673	4.4
136.07527	0.9
137.05981	0.9
137.09587	1.5
137.13239	1.2
145.04935	2.0
145.10110	1.5
147.11610	0.9
149.09604	0.6
149.13231	0.9
151.11182	0.7
153.09082	0.4
159.02872	0.6
161.13235	13.2
163.07521	0.9
163.11223	2.3
163.14786	5.0
165.09129	0.7
169.08504	0.6
173.13228	2.4
175.14868	0.5
179.14285	100.0
180.14688	1.7
181.12204	0.9
190.23473	0.3
191.10675	4.3
191.14285	13.0
207.13750	0.5
209.11725	11.2
209.15314	14.1
227.12814	1.9
227.16356	3.1
231.04948	1.2
231.13864	0.4
249.06007	1.4
286.14493	0.4
299.16284	0.6
313.16223	0.4
421.19119	0.4
439.19562	0.7
454.42068	0.4
491.10510	0.4
492.17230	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2434
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50753	0.4
53.03923	1.2
54.66870	0.3
55.01856	0.7
55.05498	2.7
57.03419	1.6
59.04994	1.0
60.04533	0.4
61.02909	0.4
61.20345	0.3
67.05500	1.8
69.03409	2.4
69.07056	3.5
70.06573	3.1
70.42253	1.5
71.04971	1.2
72.08128	1.4
73.02892	0.7
74.06043	0.4
79.05479	14.3
81.03410	2.3
81.07044	18.5
83.04959	1.3
83.08611	0.9
83.49701	0.4
84.04477	1.0
84.08121	1.5
85.02887	5.5
85.06527	0.7
86.09708	3.3
87.00823	2.5
88.47176	0.4
91.05467	4.2
93.07029	8.3
95.04941	1.1
95.08585	6.8
97.02880	3.4
97.06519	4.0
97.10114	0.4
99.04442	1.1
99.08090	0.5
105.01846	3.1
105.07014	4.6
107.04954	2.2
107.08575	50.2
108.08908	0.6
109.02914	2.5
109.06499	4.8
109.10118	2.3
111.04436	0.5
111.08081	0.5
115.07545	1.2
117.01872	0.3
117.06983	0.8
119.08556	5.2
120.08087	1.2
121.06477	0.9
121.10122	15.7
123.08035	3.4
125.09596	3.8
127.03899	4.7
129.01828	0.4
129.10248	0.7
131.08522	1.6
133.10089	4.0
135.08015	1.1
135.11681	4.7
136.07516	0.5
137.05934	1.2
137.09596	1.2
137.13196	1.2
139.11070	0.5
143.08572	0.5
145.04924	1.7
145.10098	1.3
147.11655	1.2
149.05946	0.5
149.09605	0.5
149.13255	0.7
151.11162	0.6
159.02896	0.5
159.11644	0.5
161.13228	14.7
162.02130	0.4
162.13667	0.4
163.03899	0.7
163.07486	0.8
163.11172	1.8
163.14764	5.6
165.09102	0.5
165.12759	0.6
166.08638	0.6
169.08594	0.5
173.13260	3.2
175.14867	0.8
179.14279	100.0
180.14613	2.5
181.12212	0.5
191.10680	3.9
191.14270	13.0
193.15787	0.6
209.11742	9.4
209.15320	13.5
213.03900	0.5
221.04840	0.4
227.12755	1.1
227.16327	3.2
231.04874	0.9
233.15298	0.7
249.06044	0.8
426.74670	0.5
428.15402	0.4
439.19687	0.9
474.16306	0.5
492.17401	1.5
492.27762	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2436
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.6
55.01857	0.9
55.05500	15.2
56.05003	0.8
57.03419	1.1
57.07061	0.7
59.04987	1.1
60.04501	0.7
61.02900	0.6
67.05489	2.6
68.41420	0.4
68.51392	0.4
69.03416	4.3
69.07057	2.2
69.84583	2.5
70.06577	4.9
71.04968	0.8
72.08142	1.8
73.02904	1.1
79.05476	2.0
81.03417	2.1
81.07043	4.7
83.04965	14.6
83.08604	13.8
84.04445	0.4
84.08109	1.9
85.02885	6.9
85.06507	1.1
86.09669	2.6
87.00825	3.0
87.04442	0.7
91.05448	1.7
93.07018	3.3
95.04947	3.4
95.08580	2.9
97.02859	2.6
97.06487	1.9
97.10146	2.6
98.21516	0.5
99.04439	1.8
102.05509	0.7
104.07085	0.5
105.01847	3.8
105.03360	1.4
105.07017	2.5
107.08571	7.2
109.02844	2.7
109.06506	3.2
109.10145	9.6
110.07119	0.4
111.08053	3.9
112.08784	0.5
113.09596	0.7
117.07015	0.4
118.06840	0.4
119.08566	1.8
120.08078	1.9
121.10118	3.4
123.07989	0.8
123.11694	4.3
125.09607	3.8
126.05421	0.5
127.03901	5.7
129.10199	1.1
131.08543	1.2
133.10103	5.3
135.08037	3.1
137.09598	0.5
139.11174	0.8
141.06564	0.4
145.04951	2.9
145.10114	0.7
147.11671	1.5
149.05927	0.4
149.09576	0.7
149.13272	3.5
151.11156	20.8
153.09073	1.7
159.02856	1.3
159.09132	0.5
167.14294	27.3
168.14616	0.6
173.13216	2.3
175.14784	1.6
181.08560	0.5
191.14287	4.1
209.15331	100.0
210.15677	2.5
227.16417	1.9
231.04895	2.8
249.06053	1.3
284.09702	2.0
290.88507	0.4
313.10410	1.5
331.11469	4.4
457.20532	0.9
474.30316	0.7
492.17627	0.5
492.30341	1.0
493.16803	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	492.2434
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	3.0
55.01852	3.8
55.05493	3.5
57.03416	3.6
57.07064	1.7
59.04982	1.3
61.01100	0.9
61.02892	2.6
62.56351	1.0
63.80901	0.9
67.05489	2.0
68.99783	1.0
69.03422	12.1
69.07043	4.2
69.30946	9.9
70.06580	7.4
71.04984	5.1
72.08127	2.4
73.02885	3.0
79.05478	4.5
79.52621	1.0
81.03402	9.7
81.07034	10.1
81.91102	0.9
83.04969	2.3
83.08594	3.2
84.04477	2.5
84.08114	3.8
84.90678	0.8
85.02892	36.3
85.06517	3.3
86.09686	4.3
87.00807	16.4
87.04483	1.3
91.03931	1.4
91.05466	5.1
93.07005	6.5
95.04958	14.0
95.08622	5.8
97.02272	1.3
97.02877	14.9
97.06506	14.1
99.04434	8.2
99.08063	2.8
103.67006	1.0
104.07069	2.2
105.01857	18.9
105.07008	12.7
107.04908	1.1
107.08575	8.1
109.02869	10.5
109.06500	21.3
109.10135	6.1
111.04356	0.9
111.08068	1.9
113.02370	1.1
113.06020	1.1
113.09599	1.2
115.07541	6.6
117.01795	1.6
117.06973	1.9
119.08576	7.1
120.08099	3.3
121.06483	1.3
121.10136	14.8
123.08040	4.7
123.11703	2.1
125.09597	3.4
126.96505	0.9
127.03900	24.5
127.07542	1.4
129.01805	1.9
129.10191	1.7
131.03294	1.2
131.08539	8.4
133.10109	41.9
135.08058	4.8
135.11658	3.9
137.05905	1.1
137.09590	1.6
139.11166	2.5
143.08562	1.1
143.10674	1.0
145.04938	9.3
145.10100	4.7
147.11668	18.0
149.09610	1.9
149.13193	3.7
150.51082	0.9
151.11160	3.1
153.05405	3.0
153.09062	10.2
154.57066	0.9
158.10928	1.9
159.02867	6.1
163.11157	4.3
163.14789	2.7
165.12741	5.0
167.06729	1.1
167.14285	1.4
171.10118	1.7
173.04480	1.4
173.13234	24.0
175.14758	2.8
191.10612	2.7
191.14273	39.6
207.13760	1.7
209.11681	7.3
209.15337	77.1
210.15666	1.8
212.86879	1.0
213.03888	1.7
225.00548	1.0
225.14763	2.2
227.12712	7.5
227.16374	100.0
228.16756	2.4
229.15390	2.5
231.04924	3.6
249.06023	2.0
303.04956	7.3
370.28964	1.0
439.19553	2.0
457.20682	2.1
492.30399	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2223
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.0
55.01876	0.8
55.05506	0.8
56.05040	0.7
57.03431	1.0
67.05510	1.2
68.05034	1.8
69.03413	3.3
70.06581	40.5
71.04987	1.3
71.62544	0.6
72.08146	4.5
73.02906	1.1
74.06077	0.8
79.05491	1.0
81.03397	3.5
82.06573	1.3
83.04963	0.6
84.04534	1.4
84.08121	3.5
85.02896	6.4
86.09690	4.4
87.04452	0.8
88.03985	0.9
91.05471	1.9
93.07069	1.5
95.04935	0.8
95.08617	0.8
97.02863	3.0
99.04452	1.2
100.07614	1.3
102.05542	0.8
105.07040	2.0
106.05019	0.7
107.04963	2.0
109.02868	2.2
115.05489	0.8
116.07055	0.8
117.07044	0.7
119.08517	0.6
120.08097	1.6
121.06540	1.6
122.06061	1.0
122.09692	2.0
123.04408	15.5
127.03940	2.5
129.10225	0.7
131.04881	1.1
134.09676	2.1
135.04407	0.8
136.07568	0.7
137.05980	0.7
145.06454	1.2
145.10098	0.7
146.09648	0.6
147.04378	1.1
148.11183	2.7
149.06007	1.4
149.07388	0.7
150.09116	5.1
153.06999	0.9
154.07774	1.0
155.08508	3.2
157.06519	0.6
160.05194	1.0
160.11191	3.7
161.05893	2.7
161.12012	1.5
161.79021	0.5
162.12776	1.0
165.05571	0.8
165.06886	0.5
167.08540	0.7
169.10141	2.6
171.07907	0.6
173.05965	6.4
173.09567	1.3
173.12857	0.9
174.06740	0.6
175.07463	0.9
177.05507	1.0
179.03365	0.7
179.08539	1.5
181.06410	0.7
182.07280	1.0
183.08017	3.9
186.06790	0.9
187.07588	2.1
187.11189	0.5
188.10667	4.7
190.78305	0.5
192.10164	1.0
194.11684	0.6
197.09592	4.7
199.07513	1.6
201.09085	15.4
206.11725	3.0
207.08171	0.6
208.13376	2.5
213.09035	0.9
215.07182	0.7
215.10606	8.2
217.45010	0.6
225.09132	2.9
243.10042	3.9
259.06012	1.1
260.94104	0.5
270.14914	1.0
274.14084	0.7
277.07147	0.8
301.06760	0.7
311.81906	0.6
312.15808	1.1
317.41544	0.7
330.16888	3.3
334.16458	1.3
350.15900	1.9
352.17548	1.9
409.04700	0.6
474.21167	100.0
475.21515	3.3
492.22195	85.7
493.22849	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	492.1859
Annotation	Unknow
Peak:m/z	Relative Intensity
53.64715	0.3
70.06571	0.5
71.34830	0.3
71.35156	0.4
71.47594	0.3
72.08137	0.5
79.05499	0.8
84.08128	0.7
86.09693	0.6
91.05505	0.4
93.07018	1.0
95.04960	0.3
98.98445	0.9
103.05453	5.2
107.04948	1.1
120.08089	100.0
121.08421	1.2
131.04895	2.2
149.05949	1.8
166.08617	60.2
167.08879	0.7
182.99754	0.3
201.00667	0.7
474.20706	0.8
492.23627	0.6
492.31516	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
55.40844	1.3
56.95256	1.2
57.03415	2.3
58.85758	1.2
69.03429	9.2
70.06579	1.8
71.62137	2.4
71.62511	1.6
85.02888	7.1
86.37350	1.2
87.04447	4.2
92.68693	1.2
97.02892	8.7
99.64670	1.3
107.04902	2.7
110.31151	1.1
115.03889	7.6
121.06457	3.7
123.68496	1.1
133.04921	6.6
135.04390	1.2
145.02739	1.6
147.04385	2.4
152.05641	1.5
161.05963	2.2
163.03912	7.6
163.07518	100.0
189.05409	3.8
193.04973	3.1
194.68285	1.2
213.05560	1.6
213.37279	1.2
217.04749	1.5
235.05984	4.7
259.05823	1.6
277.07010	2.1
295.08176	10.0
325.12665	4.6
378.19638	1.4
404.43500	1.4
404.49182	1.2
474.20905	2.0
492.22379	1.6
518.34058	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2221
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.9
55.01859	0.7
55.05494	0.6
56.05014	1.5
57.03410	1.0
60.04506	1.5
67.05478	0.8
68.04994	1.4
69.03416	2.8
69.42382	0.4
69.76438	1.4
69.76871	1.5
70.06577	33.9
71.04992	0.8
72.08143	1.6
73.02905	0.9
74.06062	0.6
79.05480	0.4
80.05007	1.0
81.03402	2.6
83.04980	0.5
84.04480	1.1
84.08119	4.0
85.02887	4.8
86.06029	0.5
86.09668	2.1
87.04468	1.0
87.05558	0.5
88.03992	0.5
91.05455	1.7
93.07018	2.7
95.04951	1.3
97.02878	2.5
98.20812	0.5
99.04437	1.0
103.05463	0.6
104.05315	1.9
104.07100	0.6
105.06998	1.8
107.04916	1.0
109.02848	1.6
109.06478	0.5
110.07133	0.5
115.05440	1.0
117.06970	0.6
120.08083	2.1
121.06495	2.7
122.09695	0.5
123.04399	17.6
126.69835	0.4
127.03884	1.9
128.06165	0.5
129.06993	0.7
129.10216	1.5
130.04951	0.5
131.04915	1.5
133.06474	0.9
134.09631	1.8
136.07579	0.5
137.05930	0.9
141.06963	1.5
143.04869	0.8
144.10162	0.6
145.06441	1.5
145.10046	0.6
146.09648	0.8
147.04347	1.1
147.07707	0.6
148.11182	2.1
149.05959	1.7
149.07388	0.5
153.06926	0.8
154.07785	0.6
155.08501	4.3
160.05171	1.1
160.11180	2.3
161.05939	2.2
162.12801	0.6
165.06941	0.8
166.08694	0.6
167.08513	0.9
169.06458	0.6
169.10068	4.0
171.08035	0.4
173.05963	8.4
173.09610	1.1
174.06732	1.0
175.05916	0.4
175.07481	1.0
179.08528	2.5
181.06418	0.6
182.07248	1.3
183.07985	3.9
186.06750	1.2
187.07506	2.8
187.11116	1.0
188.10646	3.6
190.12257	1.0
190.68022	0.4
191.10722	0.5
195.08084	0.6
197.09554	5.8
199.07497	1.6
201.09061	19.5
206.11716	2.4
207.08041	1.8
208.13251	1.2
210.06720	0.8
213.09079	0.8
215.10609	9.7
216.12213	0.5
225.09047	4.2
243.10129	7.4
243.12514	0.7
261.11176	1.0
270.14816	0.8
312.15765	0.8
330.13522	0.8
330.16861	2.5
350.15918	1.0
352.17499	1.4
387.14645	0.6
460.13263	0.4
474.21136	100.0
475.21356	2.0
492.14600	1.8
492.22119	54.8
493.22479	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.3208
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	3.7
55.01860	3.0
55.05500	46.0
57.01522	1.7
57.03429	17.2
57.07062	17.2
59.26820	1.6
61.02901	3.9
63.69235	1.8
67.05492	79.9
69.03407	3.8
69.07056	62.4
69.40125	18.3
71.04990	4.1
71.08617	12.8
75.04448	4.2
79.05055	2.3
79.05485	31.1
81.07043	94.1
83.04939	3.1
83.08604	61.0
83.09104	3.4
85.02874	3.9
85.06517	2.4
85.10155	5.2
91.03955	2.3
91.05477	10.3
93.06458	3.2
93.07027	47.4
95.04929	3.8
95.08591	70.1
97.02874	1.7
97.06514	16.9
97.10160	28.8
98.20764	3.5
98.98452	37.1
99.08069	4.8
105.06998	6.8
107.08573	33.0
109.10137	32.1
111.08052	10.0
111.11681	6.0
115.11163	3.1
117.88167	1.5
119.08554	5.3
121.10121	62.1
123.11684	20.0
125.09591	6.3
125.13268	3.0
133.10086	6.0
135.11670	51.8
136.99907	2.5
137.13219	15.4
139.11159	4.9
145.10103	2.7
147.11676	5.3
149.13228	22.9
151.14734	5.0
153.12735	3.7
155.01007	37.9
159.11690	2.3
161.13152	2.7
163.14780	11.7
175.14749	2.9
177.16351	2.9
181.15833	2.7
196.03978	1.7
219.21042	75.8
229.04576	2.7
237.22081	100.0
242.70894	1.8
245.22644	4.9
255.23169	19.7
263.23767	8.2
311.25760	86.6
312.26221	3.0
329.26855	13.4
330.27136	2.1
337.27289	64.0
473.25613	9.7
473.32169	3.5
491.34894	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	491.1654
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	7.1
55.01861	10.0
55.05501	5.1
55.60771	0.9
57.03428	4.6
61.02911	4.4
67.05495	4.7
68.99772	3.2
69.03416	26.6
69.07084	0.9
69.97852	2.2
69.98260	3.4
70.06587	2.7
70.71455	0.8
71.04975	4.2
73.02896	8.1
76.01434	0.8
77.74429	0.8
79.05474	4.3
81.03404	34.1
81.07038	2.9
83.08604	2.8
84.08147	1.6
85.02889	100.0
87.00810	27.9
87.04462	1.2
91.03906	1.5
91.05460	2.5
93.07033	2.4
95.04946	1.8
95.08596	2.3
96.63940	0.8
97.02874	41.4
97.10166	5.7
98.20836	2.0
99.04437	16.9
105.01845	37.8
105.02557	1.8
105.07005	1.4
107.04918	2.2
107.08578	3.6
109.02856	37.2
109.06525	1.6
109.10126	2.7
117.01837	3.9
119.08589	1.4
120.08094	1.3
121.06485	2.2
121.10114	2.1
123.11703	1.2
125.09621	2.5
127.03895	98.1
128.35689	1.0
129.01813	4.1
131.08571	1.3
133.10049	1.2
135.08073	1.2
137.09581	2.0
145.04935	59.2
145.10060	1.3
145.74507	0.9
147.02835	4.6
148.02521	1.1
149.02327	2.6
152.06235	1.2
153.06979	3.2
159.02863	31.9
163.11102	1.5
165.09070	18.6
177.03995	2.3
180.08067	6.8
181.06447	43.5
187.09476	1.1
188.47392	1.2
189.03873	1.1
189.11232	2.1
191.20363	0.9
193.04800	1.9
207.06775	1.7
208.07521	8.7
213.03935	5.4
219.13837	3.6
223.07487	3.5
227.12813	1.3
231.04950	28.7
237.07526	2.1
249.06073	2.9
250.08449	1.0
265.14224	2.1
359.06436	1.0
399.21552	1.5
401.80597	1.1
445.26099	1.3
459.27386	1.7
473.13928	1.1
473.24817	2.1
474.13852	2.5
491.25940	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	490.292
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	1.2
56.05025	1.5
58.06594	1.8
60.08152	17.0
67.05506	2.9
69.07049	0.9
69.28951	5.6
70.06570	1.0
71.07362	5.7
79.05476	2.6
81.07030	2.7
83.04942	0.9
86.09689	47.4
91.05462	1.5
93.07029	2.9
95.08587	1.9
98.98460	3.5
104.10725	100.0
105.07012	0.9
105.11045	0.8
119.08521	0.6
121.10126	1.2
124.99982	25.4
131.29028	0.5
147.04367	3.2
147.11736	0.7
148.04742	1.1
163.01555	0.6
168.87233	0.5
184.07307	93.6
185.07687	0.7
188.04681	0.9
203.06987	2.3
204.07281	0.8
231.06543	3.8
232.06825	0.7
258.10999	1.2
326.24225	0.8
410.08142	0.7
472.28018	9.1
473.14502	0.7
490.29187	38.1
491.29861	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.2922
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44979	0.2
53.03941	0.2
55.05501	0.3
56.05036	0.3
57.03436	0.4
58.06358	0.3
58.06615	0.4
60.08155	5.4
67.05502	1.0
69.07072	0.3
70.06578	0.3
71.07368	2.5
71.23546	0.4
79.05485	0.8
81.07035	0.9
83.08624	0.2
86.09695	29.6
87.10036	0.3
91.05470	0.4
93.07033	0.6
95.08602	0.6
97.51834	0.2
98.98454	2.7
104.10727	2.9
105.07017	0.3
107.08614	0.4
109.10143	0.2
109.30598	0.2
112.35969	0.2
119.08588	0.3
121.10147	0.4
124.99991	19.2
133.10117	0.2
143.01036	0.5
147.04404	0.3
149.02312	0.4
176.15341	0.2
177.85046	0.2
184.07317	100.0
185.07639	0.7
187.14932	0.2
188.15247	0.2
193.04961	0.2
204.18422	0.2
205.15741	0.2
206.16228	0.2
343.20538	0.2
396.95471	0.2
454.33627	0.2
472.28159	1.0
490.23526	0.2
490.29391	2.8
490.35947	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.2573
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55873	0.5
55.01849	1.5
55.05502	5.0
56.05022	6.5
57.03393	0.5
57.07049	2.0
57.98780	0.7
58.99575	11.6
61.01134	0.9
67.05490	11.8
68.04997	1.3
69.07060	3.9
71.08607	1.3
71.09186	1.0
73.01114	1.5
74.00655	2.6
76.02213	25.6
76.03979	2.3
79.05468	1.7
80.04984	0.8
81.07043	12.1
82.06555	1.3
83.06068	1.9
83.08600	7.0
84.04488	11.6
85.01096	1.5
86.00629	5.7
86.99034	5.7
87.02675	4.5
88.02183	1.8
91.05463	1.5
93.07014	2.1
95.08586	17.2
97.01088	1.3
97.10146	3.1
99.02639	1.3
99.05543	1.0
101.04236	1.5
102.03739	0.5
102.05527	3.5
105.07013	1.0
107.08574	1.4
109.10134	7.8
111.02663	0.8
111.08007	0.6
112.03937	2.0
114.03729	1.2
114.05500	0.9
115.02185	0.5
116.01654	22.0
116.05350	0.8
119.08606	0.6
121.06467	0.8
121.10165	0.5
123.11664	1.4
125.04211	0.5
127.05780	0.7
129.06554	3.8
130.04991	5.0
132.01070	0.5
133.10101	0.5
142.03226	2.8
142.04976	0.9
143.02690	1.7
144.01099	8.3
145.06047	1.3
147.33478	0.4
162.02168	18.5
165.16348	0.8
170.02719	1.0
171.02277	0.6
171.11966	2.0
179.04811	10.1
180.17290	0.5
182.18982	5.3
183.17407	1.8
187.05264	0.7
188.03726	0.6
189.03281	2.0
194.19023	1.9
197.13547	2.0
199.06972	0.5
206.19044	1.5
214.16200	4.2
214.18022	1.6
215.04834	0.8
223.15186	0.9
233.05891	2.1
240.17719	12.4
240.19638	7.1
241.16052	2.9
241.18256	0.6
245.05919	0.7
254.10435	0.5
258.18832	12.0
291.06424	0.7
294.20572	1.6
300.16278	3.2
306.55383	0.6
308.09085	1.3
343.20428	100.0
344.20621	4.5
361.21500	1.4
382.01511	0.5
397.21469	2.9
415.22543	4.6
427.22156	0.6
431.82254	0.5
472.24524	1.9
490.25662	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	490.2278
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	4.2
55.01854	3.6
55.05494	3.1
56.05004	1.6
57.03421	2.5
59.04993	2.0
60.04512	6.1
61.02919	2.4
63.91417	1.0
67.05483	4.1
68.99769	1.5
69.03420	18.0
69.07060	5.7
70.06583	15.1
71.04990	6.0
72.08153	5.2
73.02902	3.2
79.05475	6.5
81.03406	16.1
81.07043	21.6
82.06571	1.3
83.04951	2.6
83.08607	3.1
84.04498	1.6
84.08114	4.9
85.02890	39.7
85.06531	5.9
86.09693	7.1
87.00822	12.9
87.04462	2.6
87.05567	1.7
87.09961	1.1
91.05468	6.3
93.07036	9.2
95.04952	7.5
95.08594	11.7
96.86515	1.1
97.02887	15.6
97.06509	6.7
99.04446	12.3
101.88123	1.1
103.03936	11.7
104.05257	1.3
105.01849	11.7
105.07020	15.1
107.04945	3.5
107.08577	35.9
108.08940	1.2
109.02870	18.8
109.05772	2.1
109.06502	30.6
109.10123	2.7
111.08057	3.5
111.11692	3.7
117.01819	1.5
119.08558	9.5
120.08071	3.0
121.06506	1.4
121.10117	15.4
123.08050	34.3
123.11692	7.8
125.05963	3.4
125.08855	1.1
125.09599	6.7
127.03908	39.9
129.01837	2.5
129.10193	1.7
131.08559	8.3
133.10103	2.1
135.11658	4.3
136.07544	1.8
137.05963	2.3
137.09621	3.4
137.13219	4.6
138.09102	3.0
139.07533	2.3
139.11145	3.8
145.04935	14.2
145.10146	2.7
147.02802	1.8
147.08070	1.1
147.11665	25.4
149.09605	31.7
151.07527	37.2
156.10281	2.3
159.02838	7.3
159.11661	1.6
161.09656	1.2
161.13239	3.3
163.05981	8.0
163.11172	3.8
165.09084	1.2
165.12729	28.8
167.10660	10.5
171.11656	8.4
173.09576	1.3
179.14272	20.2
183.13731	6.8
187.05939	1.7
189.04086	1.1
189.12718	17.3
207.13766	100.0
213.03835	1.7
218.55841	1.1
225.14841	27.8
228.09734	1.1
231.04932	5.6
307.10086	2.3
361.05432	1.1
454.28125	2.0
472.28891	7.7
490.18106	1.9
490.30081	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	490.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52549	0.8
53.03939	2.0
55.01854	1.5
55.05505	1.7
56.00766	0.9
56.05034	1.2
57.07623	0.9
59.04996	1.3
60.04520	1.5
67.05491	3.6
69.03425	11.0
69.72881	2.5
69.73295	3.6
70.02918	1.3
70.06569	3.8
71.04989	1.3
71.40662	0.9
72.08131	0.9
73.02907	1.6
79.05484	12.0
81.03406	4.1
81.07047	1.7
83.24941	1.0
84.08090	1.4
85.02891	24.4
86.06050	10.5
86.09695	16.5
87.00821	5.8
87.05578	25.9
88.03979	1.0
91.05466	16.9
93.07030	21.0
95.04955	3.8
95.08604	8.0
97.02861	6.2
97.06519	2.4
99.04421	2.6
104.05254	1.4
105.01852	10.9
105.07019	12.8
105.28863	0.9
107.04939	2.2
107.08578	100.0
109.02856	7.0
109.06502	4.8
109.10194	1.0
110.09675	1.0
114.05511	14.8
115.05457	1.4
116.06233	2.6
117.01740	1.0
117.06980	2.4
119.06019	1.1
119.08558	8.0
120.08078	1.4
121.06503	4.2
121.10123	13.3
123.08068	2.0
123.11690	3.0
127.03898	12.6
127.07492	4.3
128.06232	1.9
129.06992	2.7
129.10278	0.8
131.08548	97.7
132.08916	1.2
133.10089	1.6
135.11664	0.9
135.42120	0.9
136.07568	1.0
137.05977	1.0
137.09601	5.3
138.09123	1.9
143.08542	1.9
145.04955	4.3
145.10152	4.1
147.08078	2.6
147.11667	19.9
149.09595	23.3
150.05827	1.2
151.07549	1.4
155.11815	1.9
156.10289	1.3
159.02873	1.8
159.06453	1.3
161.05869	1.1
161.09532	1.1
161.13239	1.7
163.03923	4.1
165.12721	2.5
171.11623	5.2
183.11208	1.5
189.09088	2.0
189.12718	67.3
200.13959	3.5
207.13763	37.2
207.15717	1.9
213.03922	2.3
228.09766	24.3
228.13393	2.2
231.04959	6.3
236.65166	0.9
249.06175	1.4
254.55878	1.0
263.14194	2.9
275.12357	0.9
313.18597	8.0
341.18079	3.2
353.15814	1.0
379.19733	1.4
393.18958	3.1
419.16809	2.4
437.18024	2.0
454.27859	1.4
455.19055	5.8
472.28900	3.6
490.30292	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	489.3564
Annotation	Cimigenol
Peak:m/z	Relative Intensity
53.03918	0.9
55.01837	1.4
55.05497	11.8
57.03421	3.4
57.07042	1.9
62.88873	0.6
65.03930	1.7
67.05487	27.4
69.07053	10.2
71.04951	2.3
71.63688	1.0
76.79263	0.7
79.05473	16.5
81.03365	0.6
81.07035	25.4
83.04945	2.3
83.08601	6.9
85.06508	2.1
91.05458	17.2
93.07020	22.5
95.04928	2.7
95.08585	19.6
97.06491	2.3
97.10139	3.1
99.08086	1.5
105.07005	18.5
107.08566	15.0
107.61895	0.6
109.06473	1.0
109.10133	13.5
111.08053	1.3
114.60082	0.6
115.05430	1.0
116.06200	0.9
117.06998	7.2
119.08554	18.4
121.06496	0.7
121.10107	11.4
123.08006	1.6
123.11682	2.2
125.09577	1.1
128.06157	1.4
129.06950	2.9
131.08540	13.1
133.10100	15.6
135.08012	0.9
135.11684	6.5
137.09560	1.2
139.11131	2.0
141.06943	1.5
143.08511	6.1
145.10095	14.8
147.10535	0.6
147.11639	10.7
149.09521	1.0
149.13258	5.5
151.11165	0.7
155.08542	2.5
157.10094	6.3
159.11656	11.8
161.13225	6.0
163.11147	1.0
163.14746	1.5
169.10011	3.4
171.11623	6.3
173.11748	1.5
173.13185	8.7
175.14766	4.1
177.12747	1.5
179.14221	0.9
183.11632	3.0
184.97301	0.8
185.13159	5.4
187.14816	5.0
188.92447	4.0
189.16257	1.4
191.14268	0.9
195.11743	1.2
197.13158	3.3
199.14749	3.4
201.16380	3.1
203.14169	1.1
209.13168	0.8
211.14804	1.6
213.14632	1.0
213.16373	2.3
215.17967	1.0
217.15923	1.3
219.17320	0.9
225.16478	1.5
226.94019	1.2
227.17949	1.6
231.17432	2.0
239.18010	0.9
241.19695	1.2
245.18999	1.2
253.19687	0.9
259.20520	1.5
261.21951	1.5
263.20108	0.8
267.21411	0.8
271.20496	1.3
273.22192	1.0
279.47552	0.7
285.21976	2.6
287.23404	1.0
299.23697	2.0
303.22910	1.0
317.24728	1.3
335.16663	1.2
344.36847	0.8
363.24982	1.0
377.26773	3.2
379.29721	5.9
391.28400	2.9
397.30933	15.4
405.29657	0.9
407.47989	0.8
415.32022	4.6
471.15973	4.4
471.34637	18.9
489.35626	100.0
490.27872	4.4
490.35870	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	489.3568
Annotation	Cimigenol
Peak:m/z	Relative Intensity
55.05499	10.7
57.03419	3.3
57.07072	1.7
63.73462	1.3
65.03938	1.4
67.05492	24.9
69.07058	11.4
69.81744	1.2
71.04986	2.5
71.63836	2.3
79.05477	15.8
81.03380	1.3
81.07046	23.5
83.04939	2.6
83.08604	5.2
84.08191	1.2
85.06512	1.2
87.04452	2.6
91.05473	15.6
93.07026	23.4
95.04981	2.0
95.08591	22.1
97.06510	3.7
97.10147	4.0
99.46120	1.2
105.07022	19.6
107.08568	14.0
109.06518	1.5
109.10136	10.0
117.07045	7.4
119.08575	19.5
121.10111	10.7
123.11688	4.8
129.06989	4.7
130.07736	1.6
131.08531	13.6
133.10101	15.1
135.08064	1.3
135.11662	6.3
137.09587	2.9
141.07010	1.9
143.08539	5.6
145.10089	16.3
146.27341	1.4
147.11662	11.8
149.13255	4.8
155.08521	2.5
157.10110	8.1
159.11679	14.3
161.13255	8.0
169.10095	2.8
171.11636	8.6
173.13243	10.3
175.11108	1.3
175.14792	4.2
183.11667	3.9
185.13213	8.3
187.14801	4.3
189.16339	1.9
197.13254	3.0
199.14793	3.0
201.16290	1.8
211.14821	2.2
213.16399	1.8
217.15779	1.6
225.16306	1.7
239.17915	1.5
239.39177	1.7
241.19539	2.1
255.20874	1.4
259.20544	2.9
285.22192	2.5
299.23648	3.4
333.24054	1.7
344.63553	1.4
373.63736	1.3
379.29916	6.9
391.28372	4.5
397.30878	18.9
405.29996	2.1
415.32132	3.5
419.28079	1.8
471.15781	1.5
471.34662	18.9
489.35645	100.0
490.36053	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	489.3566
Annotation	Cimigenol
Peak:m/z	Relative Intensity
52.23727	1.5
53.03934	1.9
55.01842	1.4
55.05511	10.1
57.03419	5.9
57.07055	1.6
58.23354	1.3
65.33878	1.3
67.05165	2.0
67.05496	29.6
67.70112	1.3
69.03411	1.6
69.07054	12.1
69.32799	3.0
69.33204	12.8
69.65579	1.3
71.04971	3.6
76.83613	1.3
79.05482	17.7
81.07046	31.1
83.04982	1.6
83.08605	5.8
83.78006	1.2
85.06522	2.3
87.04427	1.7
91.05468	19.2
93.07030	25.6
95.04961	1.6
95.08596	24.4
97.06515	2.3
97.10143	4.2
98.20786	3.0
99.08087	1.5
105.07010	20.9
107.08559	15.4
109.06513	2.4
109.10138	10.4
117.07009	6.5
119.08560	21.9
121.10117	14.3
123.11703	2.9
129.06993	6.9
130.04985	3.5
131.08545	16.0
133.10112	13.9
135.08057	1.5
135.11649	9.2
137.09586	3.1
140.72125	1.3
141.06990	2.0
143.08519	4.4
145.10081	14.7
147.11665	12.8
149.09558	1.8
149.13206	4.1
155.08542	3.8
157.10085	8.8
159.11668	13.0
161.09612	1.8
161.13269	6.0
162.44826	1.4
163.14757	2.1
169.10138	3.5
171.11656	8.4
173.13213	10.3
175.11246	2.1
175.14813	3.5
181.10132	1.9
183.11688	4.9
185.13184	7.1
187.14799	5.3
189.12717	2.1
189.16298	1.7
191.14322	2.5
195.11671	1.9
197.13203	2.2
199.14851	4.6
201.16449	3.4
211.13220	2.5
213.14732	3.0
213.16446	3.5
217.15874	1.6
227.17935	2.0
233.29610	1.5
237.18608	1.5
241.19426	1.8
245.19046	1.6
259.20471	2.1
273.22208	1.6
277.21762	1.5
285.22076	4.2
299.23752	4.7
315.23151	2.0
335.25790	2.0
360.32880	1.8
377.26697	3.1
379.29730	7.8
391.28336	4.3
397.31018	20.6
403.37668	2.4
405.29990	2.7
415.32162	4.7
471.16144	2.3
471.34634	25.1
489.35675	100.0
490.36295	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	489.3568
Annotation	Cimigenol
Peak:m/z	Relative Intensity
50.01561	0.6
50.59923	0.8
52.84314	0.8
53.03934	1.4
55.01848	1.9
55.05508	10.7
55.69762	0.8
57.03424	4.4
57.07059	1.8
57.25853	0.7
59.04945	0.6
62.18162	0.6
62.36930	0.7
62.71839	0.6
65.03905	0.9
67.05493	34.6
69.03413	0.8
69.07059	11.2
71.04964	1.9
71.08625	0.7
71.63400	1.0
79.05481	18.4
81.07044	26.7
83.04966	1.6
83.08596	6.9
85.06529	2.3
88.96862	0.7
91.05462	17.5
93.07031	23.6
95.04952	3.5
95.08594	18.9
97.06506	2.5
97.10165	2.0
99.08095	1.1
105.07017	19.4
107.08581	14.1
109.06503	1.1
109.10146	14.8
109.10890	0.8
111.00337	0.6
111.08053	1.9
113.09618	0.8
117.07004	7.2
119.08567	18.2
121.10120	11.9
123.08072	1.5
123.11691	2.4
125.09629	1.6
128.06187	1.1
129.06972	4.9
129.21651	0.8
131.08539	12.3
133.10115	15.7
135.08041	1.4
135.11658	6.3
137.09592	1.5
139.11182	0.8
141.06941	1.4
143.08530	5.5
145.10094	14.2
147.11668	11.1
149.09633	1.7
149.13239	4.1
151.11162	0.7
155.08562	2.6
157.10086	5.5
159.11662	11.3
161.13251	5.4
163.11169	1.5
163.14799	2.3
169.10095	2.2
170.91476	1.0
171.11644	6.7
173.11722	2.4
173.13248	8.0
175.14810	3.0
177.12686	1.0
183.11685	3.6
185.13234	4.8
187.14828	4.3
188.92477	6.3
189.12666	1.0
189.16328	1.5
191.14261	1.1
197.13228	2.0
199.14810	3.6
201.16367	2.1
203.17894	1.3
208.92969	0.9
211.14819	2.3
211.94049	0.9
213.16377	3.2
215.17958	1.2
223.14886	0.8
225.16386	1.2
226.94008	3.5
227.17990	1.2
231.17429	2.1
233.18843	1.0
239.18031	1.0
245.19041	1.1
259.20529	1.1
261.22031	1.2
271.20499	1.2
273.22070	1.1
285.22107	2.5
299.23605	2.1
307.22778	0.9
317.24774	2.0
325.66611	0.7
333.24094	0.9
335.16724	2.6
376.19974	0.9
377.26755	3.5
379.29892	6.3
391.28412	2.2
397.30994	12.8
405.29642	0.7
415.12964	1.1
415.32117	3.7
453.33569	1.3
471.15903	13.2
471.34656	13.9
472.16309	1.1
489.35687	100.0
490.28439	0.9
490.35944	2.4
512.18414	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3568
Annotation	Orthosphenic acid
Peak:m/z	Relative Intensity
53.03930	2.4
55.01847	1.4
55.05503	13.7
57.03411	3.2
57.07054	1.8
59.05000	1.6
65.03924	2.2
67.05495	42.2
68.54211	1.3
69.07054	9.4
69.44315	12.9
71.04959	2.8
76.20135	1.2
79.05481	18.8
81.07045	27.1
83.04939	2.6
83.08611	8.3
85.02903	1.4
85.45749	1.3
87.90405	1.2
89.06010	1.4
91.05463	16.4
93.07031	25.1
95.04914	2.1
95.08057	1.4
95.08595	20.7
97.06487	2.9
97.10123	2.8
99.08056	1.4
105.07014	16.3
105.39321	1.2
106.19619	1.3
107.08584	13.0
109.06493	1.6
109.09476	1.4
109.10143	22.2
111.07317	1.1
111.08041	2.7
117.06976	5.9
117.97869	1.2
119.08556	19.1
121.10120	12.0
123.11653	2.6
125.09627	2.1
129.06937	5.1
130.04964	3.0
131.08543	11.9
131.28462	1.1
133.10107	13.5
135.11681	8.1
139.11113	2.3
141.07034	1.2
143.08508	4.2
145.10088	9.7
147.04395	2.7
147.11658	10.4
149.13199	2.8
155.08397	1.7
157.10072	4.6
159.11696	8.3
161.13214	4.7
163.14735	1.7
169.10081	2.2
171.11633	4.9
173.11647	6.8
173.13177	4.6
175.14738	2.0
181.10005	1.3
183.11649	1.8
185.13170	2.9
187.14781	3.2
199.14757	3.0
201.16299	2.9
211.14572	1.6
213.14720	2.4
222.42972	1.4
239.17941	1.5
257.26556	2.0
261.22070	2.7
269.22250	1.4
274.27356	2.5
275.27643	2.1
285.21960	1.5
289.21588	1.6
317.24789	1.9
358.34561	2.0
359.34851	5.8
360.35284	10.6
379.29929	9.7
397.31073	10.6
415.32040	2.4
471.34769	9.1
489.35446	100.0
490.35757	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	489.3053
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.1
53.48409	0.9
55.01857	2.0
55.05258	1.6
55.05502	18.2
57.03433	7.5
57.06819	1.0
57.07072	16.6
58.06574	3.3
61.02903	3.4
62.53787	1.0
65.03928	3.1
67.05496	85.2
69.03402	3.6
69.07059	25.7
70.51577	3.6
70.51964	1.8
71.04966	2.8
71.08617	5.2
73.02898	2.2
79.05482	24.4
81.03388	1.4
81.07047	100.0
82.07354	0.9
83.04961	3.1
83.08611	14.3
83.23222	0.9
84.08115	1.0
85.02895	5.8
85.06529	5.1
85.10190	4.6
91.03918	1.5
91.05470	27.0
93.07037	26.8
95.04944	2.4
95.08595	84.1
97.02298	1.1
97.02871	3.9
97.06527	8.4
97.10139	8.7
99.04453	1.4
99.08072	11.2
103.03931	1.3
105.07018	15.5
107.08574	14.3
109.06549	1.0
109.10139	30.0
111.08039	3.7
111.11701	2.8
113.09650	8.7
117.06984	1.7
119.08568	19.1
121.10127	23.7
123.08053	2.5
123.11684	18.3
125.09590	2.1
127.03899	1.7
127.11210	5.8
131.08546	4.0
132.06981	1.0
133.10110	26.2
135.11671	19.9
137.09576	3.2
137.13240	19.1
139.11145	2.2
141.12709	1.4
145.04907	1.5
145.10141	1.0
147.11665	16.3
148.56514	0.9
149.09592	1.7
149.13240	7.0
151.11140	3.4
151.14801	16.4
153.12685	2.3
159.11638	1.7
161.13229	17.6
162.67027	1.0
163.14771	2.2
165.09117	1.7
165.12709	1.9
175.14806	8.1
179.14320	1.8
189.16353	4.0
191.17923	1.3
193.15959	1.0
217.19492	76.4
235.20526	71.3
237.22169	1.0
252.90504	1.1
253.21742	1.2
309.24197	46.8
327.25266	4.0
333.24225	1.2
361.23303	1.3
379.24554	1.3
417.26324	1.3
435.27429	1.0
453.28418	2.2
471.29565	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	489.3349
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	6.6
56.05014	2.3
57.03430	0.7
57.07061	1.3
60.04493	1.1
60.63840	0.6
61.00837	1.5
61.01141	24.2
64.86214	0.6
65.03915	0.6
66.06396	0.5
67.05492	19.3
69.07052	12.7
69.74426	4.0
70.06553	0.8
71.08602	0.5
72.04502	4.0
73.02904	1.5
77.62008	0.6
78.03780	7.5
79.05459	2.5
81.06570	1.1
81.07040	21.9
83.08604	6.3
85.06513	2.6
86.06049	21.4
86.09658	1.1
87.02676	4.0
88.01817	0.5
88.02203	4.7
91.05437	0.7
93.07001	1.3
95.04955	1.2
95.08589	31.1
96.08108	1.0
97.10156	5.0
98.06038	4.5
101.04226	1.7
102.03745	13.7
103.02121	2.8
105.06971	0.6
107.08543	1.3
107.31606	0.6
109.10133	12.9
111.11707	4.0
113.05978	1.5
115.08688	3.6
117.06973	0.8
119.08554	1.3
120.04776	6.8
121.10133	0.9
123.11668	5.8
124.07541	2.1
125.07067	2.6
131.06363	3.9
131.08517	0.6
132.04779	4.4
137.13213	2.0
142.08618	7.4
147.11612	0.7
149.07408	22.2
159.05833	0.6
161.65581	0.6
175.05231	0.7
184.09691	4.1
184.20567	1.0
196.20607	1.7
199.15131	2.5
210.22104	0.9
222.22105	2.3
227.18233	7.0
244.20915	1.3
248.52762	0.6
261.12711	0.8
270.22458	4.6
271.20828	8.0
272.20837	0.7
315.24564	1.7
323.25330	0.8
331.92624	0.6
341.26147	31.7
342.26300	0.8
359.27188	100.0
360.27640	3.5
395.19440	0.7
409.16205	0.7
453.32159	0.6
471.32449	42.3
472.33041	1.0
489.26605	2.5
489.35358	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	489.2838
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83826	0.3
52.87572	0.2
53.03931	0.3
55.01854	0.5
55.05500	2.8
57.03429	2.4
65.03928	1.1
67.05494	11.7
69.06722	0.2
69.07064	3.5
69.59390	1.4
69.59798	0.5
71.04986	0.6
73.02921	0.4
74.09723	0.3
79.05484	4.9
81.07041	10.6
83.04967	0.4
83.08606	2.5
85.06532	0.4
91.05464	10.4
93.07030	5.6
95.04955	0.7
95.08591	9.3
95.09093	0.2
95.09214	0.3
96.17452	0.2
97.06490	1.4
97.10166	1.1
105.07005	1.5
107.04934	0.3
107.08587	3.0
109.10144	4.6
111.08038	0.9
117.07009	0.5
119.04923	16.9
119.08595	1.4
121.06487	1.2
121.10119	4.6
123.04458	0.5
123.11690	1.5
126.20033	0.3
129.05443	0.4
131.08514	1.3
133.10110	2.9
135.11687	3.3
137.09573	0.8
137.13255	0.5
145.10092	0.9
147.04387	100.0
147.11665	1.1
148.04684	1.0
149.13237	1.1
151.11189	1.2
159.11639	0.8
165.05453	16.5
169.12202	0.3
173.13142	0.4
195.13763	0.4
215.17946	2.0
221.08118	1.4
233.18889	2.6
235.20575	0.4
251.19994	3.2
268.56522	0.3
307.22455	0.5
325.23666	18.5
326.24124	0.5
351.08325	0.3
385.29047	0.3
471.27557	0.5
489.28445	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	489.2605
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74221	0.7
53.03934	1.9
55.05497	10.6
57.03428	13.7
57.07062	2.9
65.03933	1.7
67.05494	42.9
69.03407	1.0
69.07056	10.7
69.28635	9.1
71.04978	0.9
78.71284	0.8
79.05481	29.0
79.05948	1.5
81.07043	46.0
83.04976	2.2
83.08610	6.3
85.06516	2.5
86.98604	1.0
91.05463	19.7
93.07028	37.7
95.04956	2.5
95.08588	37.3
97.06497	2.2
97.10165	2.1
98.98447	57.4
99.08090	2.2
105.07015	18.7
107.04998	1.0
107.08576	23.9
109.10140	18.6
111.08101	1.5
111.29006	0.8
113.09624	1.2
116.99496	2.3
117.06987	6.0
119.08560	13.6
121.10127	20.0
123.08089	1.6
123.11688	6.6
125.09610	1.1
131.08553	12.9
132.67390	0.8
133.10114	12.3
135.11659	15.4
136.99974	5.0
137.09579	1.0
137.13255	2.7
145.10091	7.3
147.11664	8.8
149.13239	10.4
151.11179	0.9
151.14874	1.3
153.12788	1.0
155.01013	63.9
159.11649	7.1
161.13220	7.8
163.11159	0.8
163.14793	5.9
165.12711	0.8
171.11705	0.9
173.02071	1.5
173.13219	5.6
175.14824	2.6
177.16365	3.4
187.14688	4.1
189.16382	0.8
191.14305	1.0
193.02617	1.1
195.58736	0.9
201.16344	1.8
205.15846	0.9
209.15407	1.1
211.03638	3.8
229.04659	5.4
233.22646	2.9
243.21037	17.8
243.23322	1.5
261.22092	29.3
262.22549	0.9
291.23367	0.9
299.23770	1.6
317.24710	10.3
335.25739	100.0
336.26025	5.4
359.27026	0.9
415.22470	3.9
471.25018	18.3
471.31241	0.6
489.26349	4.2
489.35187	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	489.2549
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03910	0.3
54.54349	0.4
55.05478	0.9
55.14164	0.3
56.05022	2.7
57.05791	0.7
69.03410	0.5
69.07053	7.8
69.86327	2.1
70.06580	3.0
72.08140	11.9
78.13910	0.3
82.06566	0.3
84.04486	39.3
84.08112	1.9
85.02899	2.0
85.04833	0.6
86.09687	100.0
87.10020	0.9
91.05477	0.7
93.07018	0.8
94.06577	0.3
95.08618	0.3
102.05520	24.3
103.05917	0.3
104.32898	0.3
107.08635	0.5
118.08633	4.3
119.08586	0.5
121.06507	0.7
122.06015	2.1
123.08080	0.4
129.06573	6.0
129.10229	0.6
130.04988	1.5
132.10214	0.4
135.08061	0.5
148.06035	0.5
149.07452	0.4
150.05540	1.2
159.83406	0.3
167.08125	6.2
168.06508	3.5
170.11826	0.4
170.78015	0.3
175.93460	0.3
177.12869	0.4
179.03394	3.2
185.16563	0.7
186.07718	1.1
195.07602	7.6
196.06158	0.5
197.12833	1.5
201.12418	0.4
205.12373	0.6
209.80960	0.3
213.08664	5.6
213.12473	1.0
215.13812	1.9
218.98126	0.4
223.13382	0.9
231.09721	15.6
231.16994	20.6
241.08141	8.1
243.13493	0.7
259.09201	26.2
260.09625	0.5
261.82477	0.3
308.16049	0.7
326.17020	7.6
330.91895	0.3
331.47479	0.3
344.18414	0.4
354.16544	7.7
372.17572	7.1
407.23029	0.4
425.24387	0.8
453.23743	0.5
471.25333	0.6
489.19702	0.4
489.26208	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1964
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.4
55.01862	1.2
55.05495	0.9
57.03424	1.6
58.25751	0.7
60.04510	0.7
61.02897	0.9
61.68799	0.7
61.91461	0.8
67.05492	1.6
69.03419	7.2
69.07053	1.1
70.06581	8.6
70.61051	1.7
70.61454	1.6
71.04980	2.4
72.08140	2.9
73.02892	0.7
79.05479	2.4
81.03400	2.6
81.07046	2.5
83.04967	0.9
84.04478	1.3
84.08117	3.6
85.02890	10.2
85.06522	1.9
86.06048	1.0
86.09685	7.9
87.00781	1.2
87.04427	1.0
91.05470	3.1
93.07009	3.0
94.06583	0.8
95.04977	1.5
95.08576	0.8
97.02869	3.9
97.06530	1.3
99.26342	0.7
102.05544	0.9
103.05477	1.2
105.01865	0.8
105.07009	2.1
107.04908	0.8
107.08578	1.9
109.02872	2.0
109.06503	2.8
115.05420	1.6
116.07058	0.8
117.07007	2.8
119.04940	1.8
119.08528	1.7
120.08106	1.6
121.06511	2.0
121.10120	1.0
123.08073	2.8
127.03932	4.3
129.06921	0.9
129.10233	1.5
130.04974	0.8
131.04933	1.1
131.08475	1.0
133.06442	1.2
135.04375	0.9
135.07976	1.4
136.07497	0.9
137.05949	6.3
137.09581	0.8
145.02843	1.5
145.04988	1.3
145.06444	1.7
147.04443	0.9
147.08014	1.4
147.11652	0.7
149.05949	4.7
149.09567	1.1
151.07509	2.0
161.05975	2.8
163.03876	3.1
163.11133	1.2
165.05486	6.2
165.09044	1.0
165.12735	0.8
173.05946	1.4
173.09714	0.9
175.07512	4.2
176.45758	0.7
177.05441	12.6
178.05711	0.8
179.07028	2.5
179.14319	0.9
187.07513	1.2
189.05415	4.8
189.09084	1.0
191.06990	3.9
193.04947	62.7
201.09300	0.8
203.07011	30.7
203.10576	1.3
204.07356	1.2
205.08537	1.5
205.12100	0.9
207.06557	1.9
207.13777	2.1
211.84123	0.7
215.07068	2.2
216.07289	2.1
219.06499	16.0
220.06808	1.0
221.08067	3.0
230.09300	1.0
231.06480	3.5
233.08084	4.0
234.08409	5.1
237.07544	78.6
238.07925	2.0
245.11646	6.9
247.13342	0.8
249.07610	2.5
259.09570	1.1
273.11188	12.7
274.11404	0.8
291.12234	58.7
292.12579	8.1
309.13297	100.0
310.13657	4.4
310.23172	0.8
317.23541	0.7
399.12839	9.7
471.18509	0.9
489.16998	3.5
489.26758	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3887
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51323	0.7
55.05501	0.8
57.07061	1.1
59.64506	0.7
65.56693	0.6
67.05495	0.9
69.51569	6.1
72.04507	6.3
79.05491	1.1
81.07050	1.7
82.22675	0.7
87.04449	2.9
88.35275	0.7
91.05505	0.6
93.07011	0.9
105.07031	0.7
107.07332	0.9
109.02706	0.7
109.12256	0.7
118.06526	8.0
119.08581	0.8
129.06941	0.8
132.08084	6.1
133.08829	1.8
144.08083	3.7
146.09631	10.8
158.09644	1.8
160.11174	1.7
166.34326	0.7
172.11151	3.6
174.12712	0.9
188.14224	0.9
189.10298	2.0
201.10228	1.6
203.11777	2.6
208.21060	0.7
215.11763	1.3
216.17575	0.9
217.13350	4.5
222.94928	0.8
231.14966	1.1
244.20625	1.1
246.22301	1.0
258.22165	0.8
298.25366	0.7
344.33008	1.1
372.36206	37.2
398.37717	16.2
401.39810	2.2
425.39020	2.9
434.19684	0.9
441.38248	7.3
442.37057	1.2
443.39920	31.3
444.40079	1.1
469.38049	3.6
470.36240	19.0
487.38904	100.0
488.38992	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	488.1753
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.3
55.01853	0.5
57.03425	0.3
57.07063	1.5
65.03922	0.7
69.03417	1.1
70.06577	0.3
70.63463	0.6
71.04973	0.3
73.02888	0.3
76.58836	0.2
81.03396	1.8
84.04493	0.2
85.02489	0.2
85.02899	2.4
87.00809	1.0
97.02880	1.2
99.04443	0.5
105.01838	0.6
108.04473	0.4
109.02854	1.3
115.47065	0.2
121.02857	2.1
121.03778	0.3
127.03886	1.9
129.01810	0.2
145.04935	0.7
149.02316	100.0
150.02658	0.7
159.02879	0.7
167.03386	1.9
190.04968	0.6
205.08582	4.3
223.09615	19.1
231.04996	0.2
248.07617	0.3
412.03207	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2894
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52942	3.9
53.03927	4.7
55.01852	7.2
55.05489	19.6
57.03419	19.5
57.07065	6.8
61.02905	11.9
63.71743	4.2
65.03927	4.4
67.05495	87.8
69.03413	16.0
69.07053	19.8
70.40217	8.8
70.40608	9.3
71.04979	8.5
79.05484	71.3
81.03394	9.7
81.07048	100.0
83.04964	6.1
83.08599	10.3
85.02894	21.0
85.06530	7.0
91.03960	7.7
91.05459	49.0
93.07038	76.1
95.04939	16.1
95.08598	65.4
96.21147	4.7
97.02859	11.8
97.06506	9.4
97.10136	6.6
99.08093	10.0
103.03954	4.8
105.07024	37.0
107.04980	5.7
107.08581	47.5
109.06464	11.8
109.10136	40.5
111.08032	6.4
115.03916	5.0
117.06989	16.1
119.08569	36.3
121.06475	4.8
121.09271	6.4
121.10110	49.4
123.08037	10.5
123.11665	15.8
125.09573	5.8
127.03872	6.0
129.06995	11.1
131.08551	41.4
133.10117	27.6
135.08069	7.3
135.11668	46.3
137.09557	11.5
137.13179	5.8
143.08554	8.4
145.04950	6.2
145.10060	28.4
147.11644	19.6
149.09589	7.8
149.13243	26.6
159.07970	5.2
159.11659	28.2
162.34950	4.7
163.06012	4.7
163.11180	7.4
171.11699	5.5
173.13266	21.2
177.12674	5.2
189.16273	6.4
203.84843	4.9
205.19531	9.3
215.17938	72.8
233.18991	60.4
249.18517	5.8
273.18311	4.7
307.22748	24.1
317.20850	4.7
325.23666	24.4
341.20908	5.6
377.23221	6.1
391.24475	13.6
433.25470	8.7
442.62512	4.8
451.26260	4.9
469.27847	19.7
478.27005	4.3
487.28461	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	487.2892
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.9
55.01853	4.5
55.05501	21.7
57.03418	8.8
57.07058	8.9
59.53916	1.7
61.02904	6.6
65.03898	3.1
67.05495	85.7
67.05859	4.0
69.03410	7.4
69.07053	13.4
70.07449	10.1
71.04987	11.3
79.05482	85.4
81.03394	5.6
81.07047	100.0
83.04952	7.9
83.08598	10.5
85.02879	7.3
85.06546	10.1
91.03934	4.9
91.04957	3.7
91.05473	44.5
93.07030	99.1
95.04990	9.7
95.08595	62.8
97.02870	6.6
97.06512	7.1
97.10149	4.8
99.04424	2.4
99.08112	9.7
105.07017	35.6
107.04932	2.5
107.08578	52.6
108.86345	1.9
109.06493	6.9
109.10146	36.5
111.08058	6.5
113.09646	6.8
117.06995	20.7
119.08566	29.5
121.10122	66.6
123.08038	6.7
123.11698	23.5
125.09603	5.1
128.06189	3.5
129.05446	2.4
129.06989	5.8
131.08549	43.8
133.10110	33.5
135.08022	6.6
135.11676	78.2
136.11963	2.7
137.09624	4.3
137.13199	6.8
143.08549	2.8
145.06432	3.0
145.10107	35.7
147.11642	22.2
149.09602	9.0
149.13235	37.7
151.11205	4.7
155.08537	3.8
157.10133	4.9
159.11678	37.5
161.09532	2.5
161.13213	7.4
163.11198	5.8
163.14734	3.6
167.02306	1.9
169.10049	2.6
171.11624	5.1
173.13261	30.2
175.14821	3.8
177.12717	4.6
183.11636	3.4
187.14737	8.9
189.12677	3.1
189.16290	3.7
205.15800	5.0
205.19463	12.5
215.17915	93.5
230.63597	2.0
233.18970	84.1
251.20129	5.3
270.56821	1.9
275.20215	2.8
293.63452	2.2
307.22617	14.1
317.21091	3.4
325.23700	21.3
377.23148	4.3
415.24478	2.4
433.25760	4.6
451.26834	3.8
469.27744	11.1
487.34064	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	487.2449
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	3.9
55.01861	4.6
55.05510	12.3
57.03431	13.4
57.07060	2.9
58.77591	1.5
59.70914	1.7
61.09280	1.4
65.03930	2.8
67.05495	52.0
69.07071	11.6
69.46089	8.9
69.46499	4.0
70.64086	1.4
73.02915	2.6
79.05483	32.7
81.03403	2.3
81.07045	47.5
83.04977	2.3
83.08620	4.0
91.05468	34.4
91.06004	3.1
93.07030	44.9
95.04958	6.5
95.08591	33.2
97.10179	1.8
98.98453	100.0
103.03987	1.6
103.05424	1.6
105.07023	23.7
107.04948	3.5
107.08583	24.7
109.06515	2.7
109.10146	20.0
116.99518	3.9
117.06989	8.7
119.08576	24.0
121.06497	4.0
121.10123	22.4
123.08072	2.5
123.11713	7.0
128.06175	1.9
129.05478	12.4
129.07011	5.4
131.08545	13.9
133.10115	20.7
135.07990	3.3
135.11662	16.2
136.99983	4.6
137.09578	3.8
143.08546	5.2
145.10095	10.3
147.08032	2.6
147.11667	14.9
149.09613	4.3
149.13213	9.1
151.11172	1.6
155.01018	93.3
157.10126	6.6
159.11691	11.0
161.09692	2.8
161.13258	10.0
163.11096	2.4
163.14821	2.8
165.12657	2.0
171.11627	10.4
173.13269	5.7
175.14796	8.9
183.11615	2.3
185.13269	6.3
187.14796	2.0
189.12662	2.5
189.16376	2.4
191.38885	1.8
199.14818	5.2
203.14285	1.7
203.17946	2.3
211.03656	14.5
213.16380	2.9
215.17862	2.9
217.19511	11.7
229.04756	9.3
231.21045	8.6
241.19495	29.4
259.20529	44.3
260.21002	1.7
283.16800	1.5
315.23160	4.3
323.13181	2.0
326.87424	1.5
333.24173	76.6
334.24402	2.5
413.20798	3.4
469.23615	15.5
487.24280	3.4
487.34109	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	487.2892
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	4.9
54.13452	2.8
55.05492	19.9
57.03424	11.5
57.07066	5.9
61.02902	8.5
67.05495	94.9
69.03411	6.5
69.07053	16.1
70.09747	14.6
70.89497	3.0
71.04962	9.6
71.53855	3.4
73.02908	3.4
79.05474	75.9
81.03376	5.2
81.06567	5.6
81.07042	100.0
81.07512	6.7
83.08604	11.4
85.02877	11.5
85.06525	10.4
91.03922	4.0
91.05463	45.5
93.06455	6.3
93.07022	92.3
95.04971	7.5
95.08586	77.7
97.02849	6.8
97.06491	11.6
97.10155	4.5
98.20804	4.2
99.08074	15.9
105.07010	31.1
107.08562	46.9
109.06514	6.4
109.10133	37.5
111.08065	6.4
113.09634	5.2
117.07019	15.5
119.08566	36.1
121.10120	58.0
123.08031	6.4
123.11662	23.6
125.05952	3.2
127.03967	3.9
129.05429	3.2
129.06915	5.3
131.08533	33.7
133.10118	34.9
134.68724	2.8
135.08011	3.9
135.11670	64.8
137.09555	6.7
137.13226	8.2
145.10100	32.8
147.11662	25.0
149.09608	4.8
149.13237	40.9
151.11136	7.2
155.08394	3.0
159.11662	32.9
161.13219	7.0
163.11143	5.8
171.11597	6.0
173.13232	27.2
175.14784	3.3
177.12645	4.5
187.14758	12.6
189.16313	4.1
203.80008	3.0
205.19478	10.4
215.17920	91.0
233.18967	84.6
285.52322	3.6
307.22635	30.5
323.20193	3.2
325.23801	15.4
341.20889	4.5
415.24817	4.4
433.25525	2.9
451.26587	4.4
469.27808	13.2
469.58194	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.155
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03916	0.7
57.03417	0.6
67.05485	1.7
69.03403	2.0
70.06574	6.9
70.14667	3.3
71.06887	0.9
75.99812	0.6
81.03362	0.7
83.06089	0.6
84.04471	1.2
84.08121	2.9
85.02882	2.2
86.09673	1.3
89.79308	0.6
94.06548	6.1
97.02850	1.7
98.21494	0.9
101.35879	0.6
106.06530	3.0
108.08103	4.5
110.07172	0.8
122.05990	5.2
123.04362	1.1
123.30127	0.6
126.09098	2.1
127.09457	0.8
129.10257	0.7
133.07576	2.2
134.05984	1.5
136.07536	2.1
138.05475	1.4
148.03928	1.7
149.07063	7.1
150.05473	100.0
151.05794	1.1
151.08652	2.7
152.07025	5.2
154.86522	0.6
160.06279	0.7
161.07083	9.4
162.07884	1.7
163.03870	2.0
163.08635	1.3
165.06590	1.7
166.05040	0.7
168.06526	3.1
177.06561	2.5
179.08112	3.7
180.06564	0.8
189.06555	4.7
199.08536	0.7
203.08054	1.3
205.06082	2.0
207.07596	1.1
215.08199	0.9
217.05974	4.2
233.05516	14.0
238.70139	0.6
243.07585	1.3
259.07065	1.7
261.08722	1.1
289.07996	0.9
307.09171	4.8
325.10187	7.1
325.18472	1.0
341.13382	1.0
365.77707	0.8
367.11270	1.2
395.10645	1.7
425.19611	0.8
469.22543	2.3
487.15540	77.6
487.23184	5.6
488.15860	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1806
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	4.9
55.01862	2.2
55.05489	2.6
56.05018	3.0
61.01128	2.0
61.02908	3.4
69.03416	11.6
69.07053	2.8
70.06596	27.5
70.07076	1.4
71.04970	4.5
71.06943	1.1
72.08143	4.2
73.02897	3.8
79.05458	1.3
81.02970	1.4
81.03407	14.7
81.07034	1.3
83.04970	1.6
84.04489	14.9
84.08132	4.3
85.02891	68.6
86.09689	28.0
87.04461	1.6
87.10017	3.5
91.05453	1.5
93.11188	1.1
95.04926	1.1
95.08575	1.2
97.02268	2.2
97.02877	33.1
98.06020	3.1
99.04440	43.4
99.05096	2.1
102.05523	23.9
103.03922	79.5
104.05296	12.9
104.31110	1.3
105.06973	1.6
107.08579	1.5
109.02858	17.6
110.07125	1.3
114.98791	1.0
115.03911	1.1
120.08105	1.3
121.10172	1.3
123.04391	7.3
127.03897	100.0
128.04248	1.3
129.10219	2.8
130.04980	3.4
136.19862	1.2
137.05946	2.4
139.11150	1.3
145.04930	68.7
146.06314	11.3
147.04393	1.8
160.11954	1.3
161.05995	2.0
163.06000	41.8
163.07492	5.1
165.05466	3.8
169.04857	1.6
173.09464	1.1
174.05826	11.8
177.03259	1.8
177.09105	1.1
187.05978	4.5
189.05513	4.1
197.12723	1.3
198.13554	1.2
199.17958	6.3
200.18379	1.6
201.08879	1.3
205.06949	2.6
205.08691	1.2
213.05363	2.2
223.09720	1.0
223.30045	1.0
227.17607	1.4
229.08708	1.8
229.15395	4.6
230.15706	1.4
231.06508	3.3
235.07582	1.7
239.20152	1.1
247.07780	1.4
247.09926	1.3
259.11789	1.3
260.11829	1.5
271.08112	6.1
275.65665	1.1
288.14911	1.4
289.08829	2.7
303.10068	20.0
307.10156	3.5
333.14978	1.9
334.15433	8.1
346.14221	2.3
374.13751	10.5
378.63895	1.3
379.15500	1.4
380.16217	3.4
423.20081	3.1
469.20813	7.4
487.21594	11.8
510.11401	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.4296
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	0.3
55.05494	0.4
69.07058	0.9
71.08414	0.2
71.08758	0.3
73.02900	0.7
73.06544	0.5
87.04448	1.8
106.06525	0.2
107.07345	0.3
115.16380	0.2
118.06523	8.3
120.08095	0.3
130.06500	0.5
131.07280	0.4
132.08063	3.7
133.08878	0.9
134.09608	0.2
144.08049	0.3
146.09622	8.3
160.11201	1.8
174.12811	0.8
176.06969	0.2
188.14200	0.9
202.15923	0.8
216.17468	0.5
218.11687	0.2
218.19016	0.2
230.19012	0.4
232.13271	2.3
232.20622	0.2
244.20490	1.0
246.14883	1.0
246.22162	0.7
258.22266	0.4
260.16403	1.8
260.23590	0.3
272.23727	0.7
274.17999	0.5
274.25195	0.5
286.25272	0.2
288.27072	0.2
302.20938	0.3
316.22452	0.2
338.79724	0.2
348.74329	0.2
372.36191	18.4
373.36313	0.6
386.37668	1.0
398.37869	0.7
400.39304	6.4
401.39410	0.3
486.42957	100.0
487.43304	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	486.4298
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.3
60.73060	0.2
69.07050	0.9
69.29958	0.3
69.30354	1.7
73.02895	0.7
73.06553	0.4
73.10928	0.2
85.64303	0.2
87.04457	1.8
89.82618	0.2
93.05791	0.2
106.06539	0.2
107.07291	0.3
115.05415	0.2
118.05685	0.3
118.06521	6.4
120.08101	0.4
127.23040	0.2
129.06996	0.2
130.06485	0.6
131.07307	0.5
132.08070	4.1
133.08855	1.2
143.19655	0.2
144.08047	0.4
146.09622	8.5
148.59567	0.2
149.24937	0.2
160.11188	1.6
174.12770	0.6
188.14281	0.8
202.15881	0.6
204.10191	0.2
213.59155	0.2
216.17482	0.4
216.64970	0.2
217.08557	0.2
218.18970	0.2
230.18884	0.3
232.13234	1.5
244.20557	0.7
246.14844	1.2
246.22116	0.7
258.22144	0.5
260.16428	2.5
260.23758	0.3
272.23669	0.6
274.18024	0.5
274.25143	0.3
286.25305	0.3
302.21100	0.3
316.22684	0.3
330.24036	0.2
372.36188	19.0
373.36404	0.5
386.37497	0.2
398.37711	0.6
400.39297	6.2
401.39609	0.2
486.42950	100.0
487.43307	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.4298
Annotation	Unknow
Peak:m/z	Relative Intensity
65.09605	0.3
69.67179	0.2
69.89505	1.3
69.89912	0.5
87.04455	11.3
107.07301	0.5
118.06521	10.0
120.08141	0.3
130.06482	0.3
131.07219	0.6
132.08060	4.1
133.08849	1.3
134.09602	0.3
139.10339	0.2
144.08003	0.5
146.09625	9.1
151.26253	0.2
160.11168	1.5
164.06458	0.2
172.31322	0.2
174.12718	0.8
188.14362	1.2
202.15933	1.1
204.10141	1.0
216.17458	0.5
218.11755	0.4
230.18968	0.3
232.13214	0.5
244.20558	0.3
246.22075	0.3
258.22119	0.9
272.23657	1.4
274.25247	0.9
286.25183	0.7
300.26611	0.2
359.83282	0.3
400.39310	44.2
401.39569	1.7
486.42975	100.0
487.43408	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	486.4295
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07076	0.2
65.53021	0.2
67.11356	0.2
69.26021	2.0
74.96284	0.2
77.11889	0.2
87.04452	10.5
93.05695	0.3
98.20701	0.4
106.06483	0.3
107.07277	0.7
118.05696	0.4
118.06516	7.2
119.07214	0.2
120.08009	0.4
130.06488	0.6
131.07268	0.4
132.08069	5.4
133.08850	1.1
134.09532	0.2
144.08070	0.3
145.08832	0.2
146.09613	9.4
147.10086	0.2
160.11183	1.7
174.12791	0.5
188.14247	0.7
202.15817	0.7
204.10124	0.6
216.17456	0.6
218.11658	0.9
230.18990	0.4
232.13298	1.0
244.20497	0.5
246.22098	0.7
258.22086	0.8
260.23572	0.2
272.23740	0.8
274.25259	0.5
286.25186	0.4
372.36206	0.4
400.39291	42.5
401.39716	2.4
486.42957	100.0
487.43491	5.8
497.38852	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.2329
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86818	0.3
55.05505	0.5
56.05032	0.4
57.03413	0.3
60.04492	0.3
69.03419	0.9
70.06583	6.1
71.04989	1.5
71.06917	0.5
71.11494	0.6
72.08135	0.3
81.03400	0.4
82.06570	3.5
84.04500	0.6
84.08132	62.1
85.02881	1.4
85.08455	1.0
86.09695	0.7
96.08109	0.6
97.02859	0.7
98.09671	0.8
100.07609	5.2
110.07167	0.4
123.04416	6.4
126.09135	100.0
127.03801	0.3
127.09480	1.2
137.06041	0.6
139.09828	0.3
140.10693	0.4
144.10176	32.3
145.10464	0.5
163.03876	0.9
211.32961	0.3
244.11739	0.3
262.14346	8.4
277.00720	0.3
306.16931	1.0
324.17828	0.6
367.00131	0.3
424.19595	22.1
425.19818	0.7
433.18857	0.3
454.23087	0.5
468.22223	35.7
469.22513	1.2
486.23126	21.0
487.23569	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.254
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55378	0.6
53.03936	2.1
56.05034	0.8
57.03426	2.9
60.04512	0.6
61.02907	2.4
67.05486	2.9
69.03416	3.4
69.07064	1.5
70.06583	11.0
71.04977	1.1
71.06892	0.7
71.10954	1.2
71.11299	1.4
71.14071	0.7
72.08134	1.7
73.02919	0.8
74.06084	0.8
79.05462	1.8
81.03407	100.0
81.07065	1.3
82.03715	0.9
83.04967	2.8
84.04477	2.0
84.08122	4.7
85.02892	4.9
86.06063	0.8
86.09687	4.7
87.04464	0.9
91.05471	7.8
93.07023	2.9
95.04971	1.7
95.08613	1.3
97.02879	3.9
103.03941	0.9
103.05486	1.0
104.10748	1.2
105.07029	1.3
107.04952	3.8
109.02844	1.0
109.10133	1.5
110.07192	1.2
116.07113	1.1
119.08572	11.4
120.08110	2.2
121.06503	4.3
122.79095	0.6
123.04448	1.8
123.08046	2.2
126.09188	0.7
127.03894	1.9
129.10245	2.5
131.04904	1.8
132.05229	1.9
133.04912	0.9
135.08076	0.9
137.06009	0.8
137.09605	15.9
137.10623	0.6
145.04953	1.1
147.07996	4.3
158.97412	1.2
163.07516	1.3
165.09093	58.5
173.12889	0.8
179.03445	1.2
180.03732	0.9
183.10155	3.4
201.12598	0.8
207.10161	1.2
227.00311	0.6
227.16365	0.8
234.99097	1.0
237.02217	1.3
239.12735	25.4
257.13806	66.4
258.14169	0.8
266.69775	0.7
281.13812	5.8
298.34525	0.7
323.02094	0.7
323.15125	1.1
365.16287	1.2
381.06516	0.8
401.17984	3.2
454.89200	0.7
485.39017	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2741
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	12.0
55.01853	17.7
55.05504	54.1
57.03232	4.0
57.03430	49.1
57.07068	4.9
61.02920	34.9
65.03910	5.5
67.05495	99.6
69.03422	44.5
69.06721	7.2
69.07060	81.8
71.04969	13.6
71.27483	11.2
72.08131	7.1
73.02888	17.2
79.05484	73.8
81.03403	33.3
81.07043	89.3
83.04965	13.1
83.08610	44.8
84.08131	18.4
85.02898	57.1
85.06518	7.5
86.09710	5.0
91.03941	14.1
91.04955	8.1
91.05472	92.0
93.07028	82.3
95.04967	28.6
95.08591	82.7
97.02879	42.6
97.06505	26.5
99.04430	7.7
99.08061	9.6
101.02361	12.4
103.03905	14.0
105.07021	66.9
107.04894	9.3
107.08588	59.3
109.02845	12.3
109.06501	18.5
109.10131	31.5
111.04408	6.7
111.08064	17.0
117.07008	15.0
119.08567	62.2
121.06538	5.4
121.10128	50.7
123.08044	13.3
127.03893	31.5
129.05458	11.3
129.06952	19.1
131.08566	24.1
133.10120	87.8
135.08046	14.3
135.11652	39.8
137.09578	37.4
139.11168	8.8
143.08560	14.9
145.04927	9.8
145.10109	21.5
147.08052	12.3
147.11687	44.6
149.09572	13.3
151.11136	19.3
153.12709	13.6
155.08458	5.3
157.10114	18.1
159.11659	13.5
161.09618	10.5
161.13219	6.7
163.11212	8.9
165.08978	6.1
165.12503	5.2
171.11655	20.9
173.13171	6.3
175.14821	6.0
177.12621	5.0
177.32431	4.5
179.10484	7.2
185.13171	8.5
187.14799	10.4
189.12790	6.5
189.16441	14.4
203.17941	18.8
213.16371	38.5
223.90125	5.1
229.15889	4.3
231.17326	42.8
241.14220	6.9
249.18472	41.5
305.21106	14.1
323.22125	100.0
365.23041	6.3
431.23944	5.7
445.02679	6.6
467.26236	13.1
485.27155	46.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2889
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04123	0.2
55.05503	0.9
57.03426	0.7
57.07059	1.3
61.97210	0.2
65.03934	0.8
67.05486	0.6
69.03421	0.9
69.07047	0.6
69.31415	1.0
69.31834	0.9
71.04966	0.4
73.02881	0.3
78.04691	0.4
79.05486	0.9
80.12547	0.2
81.03400	0.6
81.07037	0.9
83.04958	0.3
83.08620	0.2
85.02892	0.7
85.06518	1.3
91.05463	44.6
92.05788	0.5
93.07021	0.8
95.04965	0.4
95.08615	0.2
97.02895	0.2
97.06489	0.2
103.03921	0.3
103.05421	0.5
104.06228	2.8
105.07010	9.0
107.08580	0.3
107.26762	0.2
109.06496	0.7
109.59859	0.2
111.08054	1.5
117.06957	0.3
123.08057	0.6
125.09549	0.2
127.07536	0.9
129.09120	0.2
131.08534	0.5
133.10104	100.0
134.10432	1.2
141.09146	0.2
147.08025	3.2
149.09586	3.6
153.09132	0.9
171.10104	1.5
177.43617	0.2
189.11203	1.2
318.94321	0.2
354.03384	0.2
485.28925	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25557	2.3
52.27122	2.5
53.03948	3.2
55.05500	11.3
56.79319	3.0
57.03421	8.1
57.07051	3.5
61.02920	19.9
65.52597	2.4
67.05493	28.2
69.03419	6.0
69.07051	8.6
70.06592	4.4
70.58733	6.2
70.59135	5.7
71.04974	5.1
73.02908	6.0
79.05479	37.5
81.03418	6.0
81.07044	33.6
83.08613	6.6
84.08135	8.2
85.02902	16.5
85.06544	6.2
86.09685	4.1
91.03941	9.4
91.05473	42.0
93.07027	43.7
95.04958	8.4
95.08598	25.7
97.02853	12.7
97.06545	5.1
99.08118	2.9
105.07017	47.2
107.08573	30.2
109.06496	2.6
109.10137	10.4
110.07187	3.9
117.07009	12.1
117.60064	2.6
119.08568	47.1
121.06468	3.6
121.10122	28.6
123.08096	4.5
127.03846	4.6
128.06190	3.7
129.05502	3.6
129.06982	16.2
131.08574	26.0
133.10118	64.4
135.08047	6.0
135.11662	25.0
136.43594	2.6
143.08531	11.3
145.10107	23.2
147.11664	58.0
149.09579	4.8
149.13272	7.4
153.09207	3.0
156.09253	2.8
157.10114	20.7
159.11696	11.8
161.09599	5.7
161.13280	9.5
164.02599	2.8
169.10129	4.0
171.11667	28.7
173.13315	6.3
175.11217	5.9
183.11739	3.8
185.13252	8.4
187.14838	8.0
189.16331	24.1
193.12149	3.0
203.14346	5.2
203.17911	17.2
211.14844	3.0
213.13028	2.9
213.16359	58.0
231.17413	83.2
249.18504	7.9
305.21124	15.8
321.20667	5.0
323.22144	100.0
339.19611	4.7
413.23242	5.9
417.62271	3.0
431.24155	3.8
449.25122	4.7
467.26294	9.2
485.10880	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	485.2739
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	10.6
55.01866	12.8
55.05502	29.3
57.03431	55.0
57.07063	3.1
61.02914	18.2
65.03932	3.1
67.05495	75.7
69.03073	2.7
69.03419	32.6
69.03764	3.9
69.07059	20.1
70.06573	5.7
71.01336	2.6
71.04977	30.0
71.63061	2.8
73.02903	15.5
77.21021	2.5
77.39107	2.6
79.05482	72.2
81.03407	32.3
81.06570	4.4
81.07046	87.1
83.04971	13.9
83.08608	22.5
84.08138	5.6
85.02405	4.1
85.02895	46.2
85.06535	10.6
87.04471	3.9
90.09940	2.6
91.03944	10.6
91.05470	82.0
93.07029	92.8
95.04958	17.0
95.08594	59.6
95.09081	1.7
97.02888	44.3
97.06516	13.3
97.10156	4.2
97.39279	2.5
99.04449	8.6
99.08071	17.3
101.02358	10.7
103.03920	10.4
103.05460	2.4
105.06368	5.0
105.07018	67.6
107.04950	3.8
107.08581	48.1
109.02870	17.0
109.06490	16.4
109.10148	19.3
111.08049	11.2
113.06038	3.5
113.09619	6.8
116.30555	2.8
117.07008	30.7
119.08566	60.3
121.06489	5.7
121.10123	44.1
123.08041	12.1
123.11671	3.9
125.09653	7.4
127.03894	24.7
127.07507	2.9
129.05469	10.8
129.06985	17.6
131.08543	36.8
133.10110	63.4
135.08055	10.3
135.11653	23.1
137.09593	22.1
139.07495	3.5
139.11171	3.2
141.09041	4.7
142.07758	5.4
143.08549	17.5
145.04893	4.5
145.10100	35.3
147.11667	45.6
149.09557	16.2
149.13245	9.9
151.11188	12.2
155.08577	4.1
157.10104	19.1
159.11658	31.3
161.09616	5.4
161.13225	10.5
163.11142	10.7
165.12660	3.3
169.10110	2.8
171.11705	22.5
173.13266	15.4
175.11145	8.7
175.14804	7.8
177.12709	10.3
179.10652	2.9
179.14221	6.7
183.06564	3.1
183.11662	4.0
185.13226	10.5
187.14771	5.1
189.12709	6.4
189.16364	9.7
191.14377	4.3
193.15852	3.9
197.13356	3.2
201.07545	3.4
203.14279	5.3
203.17934	12.7
205.16008	3.2
213.14352	3.8
213.16335	46.1
231.17413	54.7
247.16977	3.9
249.18436	35.2
265.17963	6.0
267.19601	2.9
305.21054	9.0
323.22137	100.0
339.19397	2.7
351.21655	3.0
365.23291	4.8
393.22733	5.1
431.24277	4.2
449.25189	5.1
467.26324	10.1
485.27454	18.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2742
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	3.3
55.05487	9.6
57.03413	7.2
61.02921	16.5
67.05499	24.4
69.03410	6.5
69.07048	7.8
70.68167	6.0
70.68515	2.7
71.04962	3.0
73.02903	6.0
79.05483	32.9
81.03413	3.9
81.07048	30.3
82.16949	2.2
83.04974	5.8
83.08595	5.0
85.02890	15.6
85.06525	6.4
91.03934	6.7
91.05475	37.0
93.07034	39.0
95.04935	4.3
95.08575	22.9
97.02865	10.4
97.06511	3.0
99.08066	6.3
103.03925	2.4
105.07015	44.8
107.04951	2.8
107.08596	27.1
109.10155	7.5
112.55885	1.9
115.05505	3.7
115.13091	1.9
117.06986	12.5
119.08575	47.6
121.06500	2.8
121.10143	21.8
122.43998	2.2
129.05472	3.8
129.06979	8.6
131.08562	22.5
133.10120	66.1
135.07991	2.6
135.11673	23.6
143.08556	18.4
145.10095	24.2
147.08040	2.9
147.11676	55.1
149.09576	5.8
149.13237	5.1
157.10118	14.8
159.11684	9.7
161.09599	6.2
161.13228	6.3
165.09192	2.5
169.10101	4.8
171.11710	21.7
173.13272	5.7
175.11153	5.1
175.14783	2.7
183.11685	5.0
185.13240	6.5
187.14807	7.9
189.12770	5.4
189.16409	19.6
203.14261	4.1
203.17975	18.8
213.16359	52.1
229.15724	3.0
231.17421	80.5
249.18604	11.0
305.21042	16.4
314.69577	2.3
321.20639	4.9
323.22153	100.0
389.23227	2.4
401.23422	2.5
413.23212	5.9
431.24017	5.0
449.25241	4.6
467.26401	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	485.2739
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14873	6.2
55.05513	14.4
57.03416	7.9
61.02904	14.0
63.35491	5.8
67.05503	34.4
69.03414	9.9
69.07049	12.3
70.06583	15.8
71.62705	10.9
72.08141	6.8
73.02898	8.8
79.05489	37.3
81.03401	13.1
81.07052	39.7
84.08125	24.9
85.02878	19.6
86.09673	7.7
91.03941	6.6
91.05470	53.5
93.07037	46.9
95.08575	26.0
97.02895	13.6
97.06487	8.3
99.08056	10.8
105.07019	49.2
107.05000	6.6
107.08566	44.1
109.10145	14.6
110.07152	25.9
117.06963	15.5
119.08585	45.7
121.10139	29.4
123.08051	8.5
129.07024	12.6
131.08559	14.3
133.10130	54.4
135.08018	7.7
135.11671	22.8
143.08588	14.9
145.10107	24.9
147.08046	6.5
147.11667	46.0
149.09558	7.6
149.13222	8.6
157.10091	14.9
159.11722	16.9
161.09630	7.5
161.13272	7.4
165.09184	8.1
171.11694	24.1
185.13223	10.3
189.16301	16.0
197.69528	7.1
197.71570	5.9
203.17868	15.4
213.16324	64.1
231.17415	82.2
233.08008	8.3
305.21085	13.7
323.22125	100.0
364.20999	21.1
396.18060	10.7
413.23010	8.6
485.16873	13.2
485.23737	12.2
485.30756	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	485.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	9.8
57.03424	8.8
61.02908	13.6
67.05485	21.9
69.03414	8.0
69.07057	8.9
70.06570	9.4
71.04952	5.8
71.62716	3.5
71.63119	5.4
73.02916	5.7
75.23838	3.9
79.05476	31.6
81.03408	4.8
81.07034	23.2
83.08611	7.6
84.08117	16.0
85.02884	19.3
86.09679	6.0
91.03926	9.5
91.05460	38.3
93.07026	36.1
95.04961	10.0
95.08599	19.8
97.02900	8.4
97.10155	4.0
99.08038	6.1
105.07013	38.9
107.08596	29.3
109.06510	4.2
109.10165	7.5
110.07132	11.3
117.06998	12.0
119.08561	38.6
121.10125	24.8
123.08073	4.2
127.03888	5.0
129.06981	10.2
131.08528	20.4
133.10112	59.8
135.11656	15.7
143.08533	9.9
145.10103	23.8
147.11678	39.8
149.09526	4.9
149.13277	5.3
157.10100	16.3
159.11655	13.3
161.13136	3.9
163.11070	4.7
171.11661	22.2
180.31697	3.8
185.13225	8.5
187.14806	5.0
189.12801	4.1
189.16315	20.2
198.80190	4.1
203.14314	5.3
203.17946	10.9
208.14494	3.9
213.16353	42.8
231.15297	6.5
231.17416	77.6
249.18513	6.0
276.88919	4.2
305.21057	15.6
323.22128	100.0
413.23047	7.7
449.25424	6.0
467.26428	8.4
485.22977	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	485.1284
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.5
55.01864	0.6
57.03431	0.8
61.02919	1.0
69.03414	4.9
69.97992	0.4
69.98395	1.2
70.06585	0.9
71.04980	1.7
73.02911	1.4
77.03912	0.4
77.60217	0.3
81.03408	5.6
83.04964	0.9
84.08118	0.7
85.02893	24.7
86.03220	0.3
86.09668	0.8
86.59321	0.3
87.04454	0.6
89.03890	0.8
97.02876	13.6
99.04443	16.8
103.03928	28.3
105.03377	0.8
107.04948	0.4
109.02869	9.3
115.03973	0.5
117.03357	0.6
123.04414	2.6
124.99989	0.6
127.03901	42.9
128.04224	0.5
133.02841	9.3
135.04393	2.9
139.03835	0.3
145.04938	26.1
161.02296	0.6
163.05995	14.3
169.04892	0.8
179.03371	100.0
180.03703	1.5
184.07387	2.0
185.07700	0.7
187.06021	2.6
196.28139	0.3
205.07027	1.4
253.07062	0.7
268.12726	0.4
271.08130	3.4
283.30707	0.3
289.09189	1.8
307.10129	1.7
309.99960	0.3
362.93716	0.3
485.23395	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01850	2.4
55.05492	10.3
57.03424	7.4
61.02919	15.4
67.05495	22.1
69.03413	10.2
69.07051	14.8
70.06580	6.8
70.89140	3.0
70.89446	3.6
71.04965	3.8
72.61534	2.4
73.02905	3.3
79.05479	31.7
81.03396	7.2
81.07041	30.3
83.04974	2.9
83.08602	3.4
84.08145	8.9
85.02869	13.2
85.06535	3.5
91.03945	7.6
91.05464	41.2
93.07031	48.9
95.04968	5.4
95.08579	13.6
97.02870	8.1
97.06501	5.7
99.04485	4.2
99.08073	4.7
105.07015	36.0
107.08581	26.6
109.06487	6.4
109.10138	10.6
111.08053	4.1
113.09605	3.2
117.07005	11.7
119.08568	38.9
121.06489	4.9
121.10138	30.0
127.03898	3.0
128.06232	3.9
129.06972	13.9
131.08551	22.0
133.06551	2.8
133.10112	57.7
135.08012	5.5
135.11649	21.1
139.11218	2.9
143.08543	13.5
145.10091	25.9
147.08005	3.9
147.11665	42.7
149.09610	6.1
149.13214	5.9
157.10100	17.5
159.11693	10.2
161.09608	4.2
161.13249	5.4
163.11235	3.8
169.10101	3.9
171.11646	18.5
173.13272	5.2
175.11166	5.5
185.13252	6.8
187.14836	4.1
189.12704	3.5
189.16385	13.3
201.16356	3.3
203.17871	11.9
204.61148	2.5
205.78688	2.5
213.16364	49.3
219.17422	14.5
231.17407	64.0
237.40225	2.6
249.18532	11.8
273.18335	2.8
305.21094	13.4
308.92764	2.7
323.22125	100.0
335.22076	3.6
336.77267	2.7
413.23001	9.2
431.24344	3.3
447.87976	2.7
449.25320	4.0
467.26382	8.6
485.20868	4.9
499.91254	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.0325
Annotation	Unknow
Peak:m/z	Relative Intensity
55.51271	1.4
56.96559	2.7
60.80364	1.7
69.43273	16.0
75.04819	1.6
80.33266	1.5
94.65109	1.8
96.36157	1.7
98.21525	3.7
98.97559	12.8
116.98614	18.4
127.99311	1.6
132.96587	2.0
134.99652	6.2
174.97621	1.5
177.00876	2.3
179.99272	1.7
192.98615	2.5
194.81975	1.4
194.98482	3.0
216.98706	3.1
219.02019	3.7
232.96654	5.3
233.96904	2.1
234.96429	6.1
234.99890	8.2
236.99715	1.6
250.97763	5.7
252.97548	6.5
256.96585	5.0
258.96487	6.4
258.99939	21.8
259.99942	2.9
260.99808	3.5
261.03009	6.4
274.97693	22.6
275.97906	6.4
276.97531	36.9
277.00922	31.3
277.03787	2.9
278.01147	6.3
279.00681	6.0
282.96878	2.1
282.99933	48.1
284.00150	4.2
284.99731	6.3
292.98709	6.8
294.98636	7.8
298.97696	14.6
299.97711	9.6
300.97580	29.1
301.01041	90.5
301.97897	2.7
302.00961	9.2
303.00830	12.3
316.98761	38.0
317.98892	17.3
318.98618	60.7
319.02011	2.8
319.98682	2.1
324.02740	2.7
336.99557	3.4
342.00253	2.0
359.00034	4.8
360.99866	6.0
376.97507	2.0
400.96973	2.9
401.01718	3.3
407.00217	5.8
416.98343	1.8
418.98532	9.5
425.01483	22.8
426.01257	3.5
440.99155	2.1
442.97910	23.8
443.02136	67.8
444.03149	10.7
445.02084	4.0
460.00089	4.1
460.99789	100.0
461.99753	10.0
466.03705	4.0
470.93396	1.9
484.01266	7.1
484.99420	8.1
485.98306	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	485.1284
Annotation	Esculetin 6-O-brta-D-[6'(3-hydroxy-3-methylglutaryl)]glucoside
Peak:m/z	Relative Intensity
50.72028	0.6
52.93637	0.6
53.03931	1.5
57.03418	1.6
61.02916	1.7
65.34731	0.6
69.03413	5.4
69.66682	3.8
70.06584	0.8
71.04975	2.1
71.62560	0.5
73.02899	1.2
77.03925	0.8
81.03415	5.8
85.02894	36.5
86.09717	0.7
89.03879	1.7
95.40002	0.6
97.02883	11.9
99.03825	1.1
99.04443	17.5
103.03930	25.1
105.03365	1.7
109.02863	5.0
109.72614	0.7
115.03951	0.8
117.03343	1.4
123.04420	4.3
123.07516	0.6
127.03902	42.3
132.76071	0.6
133.02824	12.6
135.04408	2.8
145.04939	26.2
161.02295	1.3
163.05994	14.5
179.03372	100.0
180.03703	1.8
187.06000	2.5
203.23581	0.6
205.07037	4.7
215.53780	0.6
216.21744	0.6
253.07098	0.7
271.08081	4.3
288.75342	0.8
289.09131	6.0
307.10214	5.1
458.63956	0.7
491.19751	0.7
506.54556	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.2536
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	0.5
56.05017	0.7
61.02911	0.6
61.33904	0.3
65.44910	0.3
69.03407	1.5
69.07055	0.6
69.56911	2.5
70.06582	9.1
71.04983	2.9
72.08141	0.7
73.02856	0.3
74.06061	0.7
79.05482	0.4
80.04993	0.4
81.03403	0.9
82.06571	2.6
82.15096	0.3
84.04483	0.9
84.08129	64.1
85.02886	2.4
85.08462	0.6
86.09697	0.8
91.03960	0.3
91.05498	0.3
93.06992	0.4
95.04967	0.9
96.08096	0.7
97.02885	1.3
98.09679	6.3
98.21551	0.5
99.04466	0.5
100.06957	0.7
100.07603	9.3
107.04938	38.5
108.05289	0.6
108.08119	0.4
109.02881	0.5
110.05346	0.3
110.07140	0.3
115.08691	0.3
121.06511	1.4
123.04385	0.4
123.08099	0.4
124.07475	0.3
126.09135	32.1
127.03873	0.7
128.10686	0.5
129.10229	1.3
131.08543	0.3
138.09172	0.4
140.10684	1.2
142.08611	4.1
144.08064	0.6
144.10167	0.4
145.04941	0.5
149.06018	1.2
158.11746	10.3
159.08008	0.7
161.36453	0.3
163.03801	0.3
189.08942	0.3
192.18565	0.3
195.01071	0.5
215.07111	0.7
216.13937	0.5
225.17125	0.3
229.69077	0.3
235.06094	0.9
236.06407	0.9
244.11702	0.3
246.14865	13.1
247.15324	0.5
259.09744	1.0
304.15417	0.9
322.16534	1.3
334.26013	0.3
335.60431	0.3
408.20105	100.0
409.20413	3.2
452.22736	13.4
453.22922	0.6
466.24557	1.0
484.25714	21.8
485.25723	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.4715
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	1.3
57.07063	11.9
58.06576	0.8
67.05492	1.4
69.07059	2.5
69.60203	0.9
69.60628	1.2
70.06578	11.2
70.06960	0.2
71.04976	0.2
71.08222	0.4
71.08614	6.6
73.02889	1.1
79.05455	0.2
81.07047	1.7
83.08592	1.7
83.81340	0.2
85.10160	2.6
88.07612	14.7
89.05980	0.5
93.07004	0.4
95.08585	2.2
97.06491	0.3
97.10137	1.1
100.07594	0.3
102.09160	10.8
106.08636	0.7
109.10127	0.6
110.29813	0.2
156.17467	0.3
168.35909	0.2
200.20049	26.0
201.05457	0.3
218.21054	1.7
228.23181	14.4
246.24255	1.1
255.23167	1.2
256.26407	1.1
283.26239	14.8
311.29379	23.6
312.29755	0.6
357.97214	0.3
362.22134	0.3
440.35272	0.5
484.47153	100.0
485.47400	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	484.2534
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02914	3.4
68.05004	1.4
69.03413	2.6
69.89626	1.0
69.90038	2.8
70.06583	64.5
71.04983	36.6
77.72305	0.6
80.05003	1.9
81.03375	0.9
82.06564	1.1
84.08131	18.3
85.02886	4.5
87.04465	1.1
96.08120	13.3
97.02908	1.2
98.20796	0.7
100.07603	83.9
107.04942	25.3
108.08109	3.4
114.09155	9.4
120.08169	0.8
122.09654	0.9
124.11234	1.1
126.09148	2.1
127.03920	1.1
133.06520	0.7
140.10664	6.5
145.05025	0.9
146.05995	1.6
148.15547	0.7
152.10619	0.7
177.73428	0.6
188.07056	3.2
205.09741	1.4
244.16939	11.3
272.16388	3.9
281.60742	0.6
286.17975	1.6
304.19080	2.1
330.49219	0.6
375.39001	0.6
396.65121	0.7
404.20618	0.8
406.22131	12.5
406.27002	1.1
420.45911	0.7
434.21667	17.1
448.23193	1.9
452.22971	4.1
466.24329	60.6
467.24710	1.7
484.25381	100.0
485.25790	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	484.2535
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01283	0.4
50.14461	0.3
52.44835	0.3
57.03428	0.5
61.02913	0.4
66.90743	0.3
68.05009	0.7
69.03416	0.7
70.06579	89.5
71.04981	6.1
71.06916	0.5
71.61500	0.5
72.06145	0.3
82.06554	0.9
84.08131	3.9
85.02898	2.2
96.08105	3.6
97.02876	0.6
99.04385	0.3
100.07599	10.0
107.04935	7.1
107.08144	0.3
108.08109	0.5
112.07611	0.4
114.09145	0.4
126.09143	6.6
126.10094	0.3
127.03848	0.4
140.10710	1.8
142.08611	2.0
152.10663	0.4
166.12216	0.4
171.30820	0.3
176.83698	0.4
182.49838	0.4
199.01086	0.4
234.14758	2.3
244.16963	0.8
254.15752	0.3
272.16437	2.1
290.17395	3.8
304.15265	0.3
304.18967	0.9
322.16599	0.6
322.20035	12.4
339.24765	0.4
396.20090	1.1
406.22311	0.8
434.21790	3.8
452.22736	16.7
453.23224	0.4
466.24316	6.3
484.25354	100.0
485.25638	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	483.2709
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32248	0.7
53.03916	0.6
55.05503	18.0
57.03429	7.5
57.07067	9.0
67.05481	2.6
69.07057	22.9
69.70643	4.4
71.08620	5.9
72.08141	1.6
74.14025	0.7
75.89928	0.6
79.05476	2.2
81.07037	4.1
83.04925	0.7
83.07847	0.7
83.08601	18.3
85.10146	2.5
93.07001	2.3
95.08588	2.7
97.06516	2.2
97.10153	12.0
98.98463	6.9
104.30195	0.7
107.08586	1.4
109.10138	1.3
111.11689	2.9
121.10114	2.5
123.11648	0.8
125.09604	0.8
125.13303	1.0
135.11646	1.2
136.42763	0.6
149.13196	0.9
152.59103	0.6
155.00990	4.1
173.02106	0.9
237.22121	0.9
311.25754	100.0
312.26031	2.3
394.27573	0.6
447.24829	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	483.1855
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.2
55.01863	2.8
55.05496	1.4
57.03419	3.5
61.02928	1.6
66.45768	0.9
67.05500	2.9
69.03413	2.1
69.07057	16.4
70.00221	4.3
70.06584	7.6
70.37257	0.9
71.04973	3.2
72.08153	1.0
79.05052	1.2
79.05485	18.2
81.03400	2.5
81.07050	5.2
83.04962	1.7
84.08128	2.2
85.02911	1.6
86.09689	1.4
89.03902	1.8
91.05464	2.2
93.07036	2.9
95.04961	3.4
95.08595	1.5
97.02865	1.7
97.06516	45.7
99.08034	0.9
100.11240	2.1
105.07002	1.8
107.04950	1.5
107.08575	1.1
109.10194	1.2
111.08064	6.3
111.08716	1.1
112.08835	2.2
117.03386	2.1
119.08562	2.3
121.06483	1.0
129.06998	1.3
129.09102	3.7
129.10234	1.3
131.04929	1.1
131.08513	2.0
133.02834	4.0
133.10081	2.0
135.04402	5.2
137.09662	1.3
138.38490	0.8
143.08553	1.0
145.02811	4.1
147.04408	2.2
157.06612	0.9
159.04410	3.6
161.02351	8.3
163.03876	32.5
167.08539	1.0
173.02319	77.6
174.02731	1.4
177.05461	6.4
181.02194	0.8
185.05972	3.2
187.03877	2.7
187.07552	1.8
191.03369	9.0
195.08032	3.1
199.03918	1.5
199.07600	1.0
210.14990	0.8
213.05455	1.0
213.09079	3.9
215.06992	74.9
216.07390	1.6
217.15958	1.3
223.07465	2.8
228.92950	0.8
233.08043	4.9
235.16801	1.2
241.08556	38.7
242.09099	1.1
259.09628	76.4
260.09918	2.0
273.11176	100.0
274.11588	2.0
291.12247	9.2
321.21170	1.1
465.17776	1.2
465.28220	1.1
465.84995	1.1
483.29803	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	483.2584
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43503	2.7
53.03926	9.2
55.01861	16.9
55.05500	22.0
57.03430	44.9
57.07048	3.3
59.04988	3.3
61.02922	35.1
67.05492	55.1
69.03423	35.0
69.07056	24.2
69.56509	22.0
70.06584	39.5
71.01357	4.7
71.04987	27.6
71.06924	5.2
72.08125	3.5
73.02916	16.9
73.06572	2.8
77.75217	3.6
79.05055	4.5
79.05480	67.7
81.03400	40.6
81.06570	5.0
81.07043	72.4
83.04954	17.5
83.08603	13.0
84.04482	4.2
84.08120	13.7
85.02406	5.4
85.02892	54.0
85.06522	10.7
86.09721	3.4
87.04425	3.6
91.03933	16.5
91.05463	96.3
93.07032	60.6
95.04950	21.3
95.08595	41.6
96.80828	3.1
97.02882	44.5
97.06517	35.6
97.10119	4.7
99.04433	9.1
99.08068	8.2
100.11250	20.7
101.02349	7.6
103.03919	11.6
103.05463	5.2
105.07023	66.5
107.04923	9.3
107.08580	31.8
109.02858	16.0
109.06490	18.2
109.10133	15.7
111.04417	9.9
111.08026	9.4
113.06015	4.5
115.05418	5.1
117.06997	48.4
119.08564	62.6
119.09424	3.8
121.06470	11.3
121.10124	24.0
123.04401	3.3
123.08036	9.8
125.05975	3.4
125.09576	4.7
127.03891	24.1
127.07572	4.1
128.06236	9.9
129.05446	12.0
129.06981	36.9
130.07751	6.2
131.04892	4.7
131.08551	78.7
133.06467	7.9
133.10109	43.2
135.04401	5.7
135.08026	22.7
135.11661	9.8
137.09586	9.2
141.06984	17.7
142.07753	4.5
143.06952	3.3
143.08543	30.0
145.02835	5.6
145.04910	6.8
145.06447	5.1
145.10097	89.9
147.08020	9.8
147.11662	34.3
149.09608	27.4
149.13202	4.9
151.11154	3.5
154.07698	4.5
155.07120	6.3
155.08521	16.9
156.13832	5.6
157.10104	33.4
159.08040	9.6
159.11681	28.6
161.09541	15.6
161.13252	4.5
163.03914	29.9
163.07506	4.6
163.11147	14.7
165.09079	11.5
167.08505	4.9
169.10104	31.2
171.11661	22.2
173.02344	4.5
173.09685	14.6
173.13235	23.4
175.11166	23.3
177.12752	8.5
179.10654	4.2
181.10048	5.5
183.06458	3.5
183.08000	3.4
183.11682	17.8
185.09593	5.0
185.13232	24.4
187.11139	18.8
187.14812	35.4
189.12674	10.1
191.10643	3.8
191.14169	6.3
193.10205	4.9
193.12181	4.6
195.11667	5.5
199.14755	7.6
200.76964	2.8
201.12628	6.4
201.16341	39.0
203.17905	4.4
209.11603	3.5
210.14832	5.6
211.11209	4.9
211.14780	43.4
213.08986	3.8
213.12778	3.7
213.16373	4.7
215.07008	5.8
215.10684	3.2
217.15860	25.0
229.15849	92.1
231.17418	4.4
235.13167	4.7
241.08498	8.0
245.15228	4.5
247.16862	41.3
253.15942	4.2
259.09631	36.6
265.17966	5.7
271.16702	4.6
273.10980	7.5
277.00247	3.4
289.18115	4.7
303.19443	11.4
306.17059	3.4
313.18173	3.6
315.16959	7.6
321.20569	100.0
351.18732	4.5
363.21725	11.2
373.20081	3.4
391.20935	11.6
429.22574	6.0
447.23712	9.3
465.20654	11.6
465.28012	5.4
465.37308	3.4
483.20297	7.1
483.28781	23.8
483.38834	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	483.1854
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	0.9
55.01870	1.9
55.05490	3.0
57.03416	2.9
59.04982	0.8
61.02917	1.3
62.58105	0.6
65.19538	0.6
67.05488	2.9
68.69664	0.7
68.93510	0.7
69.03404	1.9
69.07055	18.8
70.06563	2.0
71.04990	0.9
71.09047	1.4
71.09392	0.8
79.05479	9.8
81.03372	0.8
81.07042	3.4
83.04987	1.3
84.08125	1.9
85.02906	1.2
85.06514	1.2
86.09686	1.2
87.08089	1.2
89.03891	2.5
91.05448	2.4
93.06997	1.2
95.04956	2.0
95.08576	1.2
97.06512	73.2
105.06985	1.3
107.04942	1.4
107.08587	0.9
111.04463	1.1
111.08054	1.3
112.08809	0.8
117.03348	2.9
117.06996	1.0
119.08585	1.4
121.10075	0.9
127.03893	0.7
129.09093	2.5
131.08524	0.8
133.02837	2.7
135.04413	6.2
137.05943	1.2
141.06990	0.9
145.02826	4.3
147.04338	0.8
148.87701	0.7
159.04391	6.3
159.07976	0.9
161.02312	22.5
163.03876	49.2
169.06421	1.6
173.02315	46.2
185.05971	3.8
187.03973	1.0
187.07442	1.8
191.03340	7.3
197.05858	0.8
199.07272	0.7
213.08942	1.0
215.06989	76.5
233.08038	3.7
241.08557	13.3
259.09625	30.3
266.52539	0.8
273.11163	14.6
280.72263	0.7
291.12213	100.0
292.12567	2.0
376.86969	0.7
465.17041	1.2
465.24652	1.0
483.18021	1.5
483.28641	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1193
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96540	0.9
61.80863	0.6
69.94801	4.0
82.99884	2.3
86.99371	0.8
94.99835	0.8
97.02872	1.1
98.20753	1.4
98.97569	0.7
101.00853	6.3
109.02894	1.7
113.00838	1.7
115.02386	1.0
119.01910	20.3
120.01929	1.1
127.02386	1.9
128.98555	0.7
129.03928	0.8
131.01016	1.1
131.01901	12.6
133.03397	1.4
137.02928	2.6
139.02388	0.8
143.01877	19.4
144.02003	0.7
145.03452	12.2
147.01341	1.9
149.02925	2.9
155.01880	17.8
157.03447	6.6
161.02940	25.7
163.04544	1.1
163.51649	0.8
167.01878	7.6
168.99406	0.8
169.03445	2.5
171.04973	1.8
173.02946	42.9
174.03047	1.2
175.04448	1.5
177.02400	4.9
179.01862	2.7
181.03322	0.9
183.01410	1.2
183.04961	1.8
184.04543	1.0
185.02936	41.7
186.03069	1.5
187.04520	4.8
191.03954	2.1
195.03432	0.7
196.04564	1.1
197.02945	16.0
199.04514	1.6
201.02420	44.4
202.02574	1.3
203.02232	1.4
203.03995	14.9
208.04539	0.8
209.02872	3.4
211.04463	1.5
213.02383	10.7
215.03975	7.8
219.03484	95.9
220.03709	3.8
221.04951	2.8
224.04163	1.1
225.02362	0.9
227.03990	9.0
231.03485	10.8
233.05060	1.3
237.02550	1.8
237.04550	4.5
242.04999	2.0
243.03464	3.4
245.05051	100.0
246.05255	3.6
249.04515	9.0
255.03482	5.5
257.05090	5.5
261.04562	14.3
263.06137	12.1
273.04553	1.8
275.06097	10.5
277.07806	0.8
279.05560	8.9
280.47903	0.8
285.04581	3.1
285.07443	0.8
291.05566	0.9
293.07251	4.6
303.05597	28.3
304.05853	1.1
305.07147	10.7
321.06647	48.7
322.06754	1.8
335.08215	4.9
339.07709	2.9
344.08206	0.9
363.07867	0.8
365.05167	1.2
365.09274	11.1
383.10101	1.1
483.11908	38.1
484.12228	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.4044
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	2.9
57.07067	61.2
63.45051	0.9
67.05513	1.0
69.07059	7.4
70.05025	3.6
70.05431	2.2
71.08620	61.1
73.06518	3.0
81.07025	1.6
83.08601	3.7
85.10171	39.0
87.04446	3.3
89.06018	100.0
95.08573	1.1
97.10154	3.1
99.11718	8.0
101.71361	1.0
105.07012	1.6
107.07050	3.9
111.11675	3.9
113.13256	6.9
117.09105	2.9
127.14805	5.2
130.08615	3.1
133.08585	62.7
142.03183	1.5
157.55676	1.0
160.98711	1.1
177.11197	26.0
183.21056	1.3
195.12190	2.4
221.13831	4.1
227.23689	1.5
239.14832	3.7
261.08841	1.0
269.71179	1.2
271.26376	6.4
283.17462	48.8
283.24496	1.3
300.60361	1.1
315.28964	4.5
360.38431	1.1
367.52866	1.0
377.32681	1.4
421.35309	2.3
465.37793	57.9
466.37738	1.5
482.40277	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	482.9992
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02464	0.3
54.02926	0.3
55.68380	0.3
56.96568	1.7
56.96783	0.5
66.19862	0.3
71.61388	0.5
81.28597	0.3
98.97568	7.5
116.98601	8.6
132.96564	0.3
134.98610	0.4
134.99632	5.9
142.54410	0.3
150.97661	0.5
153.00674	1.3
156.96631	0.5
174.97633	2.9
192.98700	4.9
196.94371	0.3
198.97635	0.5
208.96600	1.0
214.95613	1.1
216.98665	2.7
232.96663	10.8
233.96661	0.7
234.99760	6.2
238.95796	0.8
240.98642	0.7
250.97733	14.7
251.97798	1.1
253.00862	0.7
256.96655	13.7
257.96793	0.7
258.01395	0.4
258.99844	7.8
259.99994	0.7
260.99799	0.6
261.03021	1.0
262.03027	0.4
268.98871	0.5
273.99207	0.6
274.97705	58.4
275.97903	3.7
276.98038	0.6
277.00842	11.1
278.01013	1.6
279.00919	0.8
280.96533	2.8
282.01224	0.4
282.99911	5.2
284.00043	0.8
285.00168	0.3
290.95590	0.6
292.98737	15.7
293.98886	0.9
297.99344	2.3
298.97708	47.6
299.97815	2.8
300.09702	0.5
300.97775	0.6
301.00986	11.6
302.01172	1.9
303.00870	1.0
307.97519	0.4
314.92325	0.3
314.95901	0.8
316.98773	100.0
317.98959	6.1
318.99011	1.1
319.02252	0.5
324.02548	0.5
332.96765	1.0
334.99835	4.1
340.00452	4.2
340.98642	1.9
356.97113	0.7
358.99930	6.0
359.99994	0.5
374.97894	2.5
380.96701	1.0
382.01587	0.5
392.98849	0.4
398.97778	2.9
401.01035	1.3
402.01193	0.5
416.98877	11.6
417.98877	1.0
422.97668	5.8
423.98248	0.5
425.01450	0.5
434.99863	0.6
440.00616	0.4
440.98871	52.2
441.98917	4.6
443.02570	2.5
444.02277	0.7
445.02191	0.8
456.96667	0.4
457.96445	0.5
458.99911	83.7
460.00043	8.0
461.00162	0.8
477.00903	1.6
482.01498	8.4
483.00537	5.3
484.00851	0.7
501.01053	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.2591
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01850	2.1
55.05492	3.7
56.05014	1.8
57.03432	4.1
60.04502	0.8
61.02913	1.8
66.08029	0.8
67.05219	0.8
67.05491	8.6
69.03404	1.9
69.07060	7.3
70.06585	10.9
71.04973	2.2
71.62989	0.8
72.08133	3.7
73.02897	1.0
77.09853	0.7
79.05490	5.6
81.03408	2.0
81.06570	1.9
81.07042	33.7
83.04971	2.2
83.08588	4.6
84.04482	1.6
84.08135	5.5
85.02876	5.6
85.06512	3.5
86.09668	3.1
88.03975	1.4
90.08924	0.8
91.03954	0.9
91.05475	9.4
93.07034	6.5
95.04926	1.3
95.08586	9.0
97.02859	2.4
97.06512	4.4
99.04436	1.1
99.08080	1.4
101.06026	1.1
105.01844	1.1
105.07021	13.2
107.04963	1.3
107.08559	6.9
108.08121	0.9
109.02855	1.1
109.06506	2.2
109.10110	1.6
110.07142	0.9
111.08051	1.1
119.08559	12.3
120.08059	1.2
121.10118	11.6
123.08044	1.0
123.11685	14.3
127.03880	1.9
127.07521	2.2
129.07001	1.1
129.10220	2.6
131.08548	1.3
133.10103	1.7
135.07986	1.4
135.11649	1.5
136.07497	1.0
137.13205	1.1
141.06984	4.9
141.70808	0.8
147.11655	39.0
151.32961	0.8
157.10074	1.3
159.09140	1.0
165.12737	15.4
173.02188	0.9
175.11172	1.9
183.13792	1.8
190.31924	0.8
193.12231	1.6
215.06912	1.1
229.14278	5.8
259.09488	1.0
267.13000	1.4
267.15869	38.9
285.16907	100.0
286.17181	2.1
295.86859	1.0
313.11813	1.5
347.88571	1.1
429.18954	0.8
438.21069	1.6
447.22073	1.5
482.20868	4.9
482.28885	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	482.3235
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05479	0.4
56.05019	1.0
57.03417	0.5
57.07067	3.0
58.06565	1.1
59.07362	0.3
60.08153	15.7
67.05490	0.7
69.07053	0.7
71.07365	5.5
71.08617	1.7
71.62912	0.2
71.63287	0.4
81.07046	0.6
83.08621	0.5
85.10182	1.3
86.09692	48.7
87.10005	0.2
89.06001	0.4
95.08052	0.3
95.08575	1.6
98.98445	3.2
104.10725	100.0
105.11060	0.7
106.59672	0.3
109.10133	0.6
123.11600	0.3
124.99982	25.9
143.01018	0.5
157.40619	0.2
163.01538	0.7
181.02605	0.3
182.88596	0.2
184.07309	97.7
185.07651	0.9
258.10992	0.9
274.65234	0.2
286.09619	0.2
299.25803	2.3
344.33038	0.5
358.86703	0.2
405.23685	0.4
438.38486	0.8
464.31329	10.1
465.31885	0.6
482.32336	39.7
483.32550	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.2593
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.4
54.07673	0.5
55.01849	1.5
55.05500	6.4
56.15300	0.5
57.03431	5.6
57.07034	0.6
59.04980	0.6
60.13332	0.4
61.02917	3.0
65.06926	0.5
67.05157	0.7
67.05494	8.8
67.71524	0.5
69.03417	5.3
69.07065	3.0
70.06583	8.4
71.04974	3.0
71.62371	0.8
72.08125	1.5
73.02886	1.5
73.06564	0.4
79.05062	0.6
79.05484	9.6
81.03404	39.3
81.07044	13.5
83.04973	7.1
83.08129	0.8
83.08607	14.1
84.04476	1.2
84.08129	3.1
85.02888	14.0
85.03284	0.4
85.06506	1.6
86.09688	3.0
87.04435	1.2
88.03960	0.7
91.03937	1.0
91.05470	12.9
93.07028	9.0
95.04952	12.3
95.08597	4.4
97.02883	5.4
97.06514	2.4
97.10136	2.2
99.04449	0.9
99.08068	1.2
102.05534	0.6
103.03940	0.6
105.07018	9.1
107.04936	4.8
107.08572	4.0
109.06519	2.5
109.10119	1.8
111.04392	2.2
111.08067	6.6
112.08494	0.5
113.05968	1.2
115.03922	2.9
115.05411	0.9
119.04971	0.6
119.08559	8.2
120.08056	1.5
121.06438	1.1
121.08395	0.9
121.10126	4.6
123.08056	1.5
123.11629	0.8
125.09599	0.9
127.03857	1.1
129.06964	4.6
129.10210	1.3
129.96820	0.4
131.08565	4.9
133.04980	2.4
133.06458	2.2
133.10123	5.2
135.11649	2.0
137.05977	1.1
137.09592	0.9
142.07777	1.4
145.04967	0.8
145.10106	1.0
146.66347	0.5
147.08008	1.6
147.11674	10.4
149.09579	3.9
153.11496	0.6
153.12712	11.4
157.10109	8.6
162.05435	0.5
163.06166	1.6
165.12724	2.1
167.10519	0.5
171.13744	1.1
175.11150	10.9
193.12219	41.4
194.12527	1.0
211.13263	36.4
212.13544	0.7
215.07007	1.8
218.15356	1.4
229.14313	1.7
259.09952	0.5
267.15875	17.9
285.16919	100.0
286.17169	2.5
290.15781	0.5
295.10495	0.9
303.17816	0.6
313.11697	1.6
331.12830	1.0
341.11380	0.6
379.02277	0.5
429.14670	0.5
429.20889	0.8
482.19879	0.9
482.27435	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	482.2589
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	4.6
55.01854	4.1
55.05511	7.0
56.05022	1.6
57.03424	4.1
57.07067	11.5
59.04991	2.5
61.02914	4.9
67.05485	3.0
68.99768	2.4
69.03422	20.5
69.07057	51.2
70.00450	6.1
70.06573	9.0
71.04983	6.4
71.08619	8.1
73.02906	3.3
73.06546	9.4
79.05476	1.6
81.03410	15.3
81.07046	1.4
82.39609	1.0
83.01280	1.1
83.08595	1.9
84.04539	1.6
84.08129	2.5
85.02891	51.4
85.10159	5.6
87.00822	23.6
89.06015	25.8
91.03944	1.7
91.05451	1.4
93.07045	1.5
93.54552	1.1
95.08589	1.6
97.02875	30.8
99.04448	8.1
99.11720	1.4
105.01846	39.6
105.02563	2.4
105.07028	1.4
107.07014	1.1
109.02864	17.1
109.10139	1.7
110.07160	1.9
111.04432	2.0
111.11704	79.6
112.12066	1.5
115.03910	1.4
117.01815	2.2
117.07063	1.5
127.03896	42.4
129.01863	1.7
129.12735	100.0
145.04933	19.3
147.02783	2.1
159.02863	9.5
170.15363	1.7
199.16876	19.9
213.03905	2.1
217.17917	21.7
231.04951	12.8
249.06050	3.9
359.16861	3.5
482.28909	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	482.2593
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55382	2.1
53.03937	4.0
55.01849	3.8
55.05493	9.6
56.05022	6.6
57.03448	11.5
57.07063	2.6
59.04979	3.5
61.01141	4.1
61.02915	4.7
61.96038	2.2
63.87836	2.6
65.03919	3.0
67.05491	11.0
69.03418	47.4
69.07062	11.6
69.92722	15.1
70.06580	52.8
71.04968	7.0
72.08142	14.3
72.96446	2.2
73.02896	5.4
74.06067	3.6
75.16072	2.3
79.05476	15.1
81.03407	7.7
81.07042	20.1
83.04962	4.4
83.08604	4.9
84.04501	13.0
84.08134	35.7
85.02886	59.4
85.06525	8.6
85.08459	2.8
86.09695	21.0
87.04459	29.9
88.03992	7.8
91.05470	22.3
93.07030	97.6
95.04950	8.9
95.08601	17.7
97.02879	41.8
97.06515	5.8
99.04457	4.7
102.05532	6.5
104.05312	5.1
105.07027	10.6
107.04986	3.4
107.08578	89.7
109.02879	3.3
109.06499	5.3
109.10118	15.4
110.07155	4.8
110.10468	2.9
112.07493	3.4
115.03909	53.5
116.07066	3.0
119.06070	3.4
119.08572	6.7
120.08083	7.0
121.10110	5.6
122.24972	2.2
123.04394	2.6
127.03910	11.6
129.10220	13.9
131.08580	4.2
133.04950	61.0
133.10129	2.8
135.11668	100.0
136.06151	2.2
136.07550	6.2
137.06039	2.6
137.13222	4.5
145.04956	9.4
147.11687	3.5
151.11153	7.5
152.11536	2.8
153.12717	28.4
161.04587	3.5
163.06070	3.1
165.12700	2.6
169.12169	6.1
173.09418	3.2
175.11224	2.9
176.07059	16.6
185.05609	2.6
193.12134	2.9
211.13200	2.9
215.07053	7.7
258.75107	2.4
259.07977	6.4
267.11554	2.5
267.15906	7.7
285.16910	13.4
295.10254	12.7
300.16638	2.5
303.04999	15.6
304.05301	30.9
305.05508	28.0
306.05740	37.7
313.11719	4.6
464.17422	2.6
483.10986	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	482.0302
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98513	0.2
62.98930	0.3
65.13154	0.3
69.58375	2.3
72.11438	0.2
76.47338	0.3
94.28515	0.3
96.95834	0.3
104.80463	0.3
139.91452	100.0
140.06819	0.3
155.39621	0.3
208.96162	0.3
218.90085	0.3
248.89525	0.4
275.87823	0.3
381.07892	39.6
382.08231	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.2378
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	0.4
56.05016	0.8
57.03423	0.9
60.04504	0.6
61.02893	1.0
66.87328	0.3
69.03132	0.3
69.03430	4.2
69.95007	0.3
70.06240	0.5
70.06587	7.0
71.04983	4.4
71.19749	0.4
71.20084	0.7
72.08144	1.1
73.02931	0.6
74.06071	0.4
75.53124	0.3
81.03407	1.7
82.06108	0.7
82.06571	13.1
83.59110	0.3
84.04504	0.7
84.08134	19.6
85.02895	8.3
85.18203	0.3
86.06036	0.4
86.09687	0.6
87.04437	0.9
89.03927	0.3
91.03943	0.6
91.05466	0.5
95.04965	0.4
96.08122	0.5
97.02869	2.6
97.06496	0.7
98.00932	0.3
98.09679	2.7
99.04459	0.6
100.07607	9.7
107.04945	0.6
109.02862	1.3
110.07156	0.6
111.08074	1.6
114.33141	0.3
119.31924	0.3
120.08087	1.3
121.06523	0.4
122.03637	0.8
122.09641	1.3
123.08045	0.6
124.11209	0.5
126.09142	4.5
127.03892	1.4
129.10258	0.5
135.04337	0.4
137.05962	64.8
138.06340	0.6
140.10687	4.0
145.02911	0.4
145.04933	0.9
150.06789	0.4
151.03891	0.3
151.07480	0.7
161.05997	0.4
163.03864	1.6
163.91483	0.3
164.04216	0.3
165.99739	0.3
177.05397	0.4
179.06984	1.7
189.09082	0.4
215.10637	0.4
229.12152	1.6
233.08313	0.3
233.11624	0.4
247.09605	0.4
247.13313	1.8
258.14883	1.3
274.10800	0.5
276.15906	16.6
302.14337	0.6
302.17404	2.5
320.11301	0.6
320.14905	1.0
320.18475	10.7
346.82651	0.3
436.10394	0.5
438.21262	1.6
464.22742	3.3
464.70609	0.4
468.55127	0.3
482.23819	100.0
483.24170	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	481.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33195	0.3
54.36717	0.3
55.05491	0.7
56.05015	0.8
60.04515	3.3
67.05476	0.7
68.04996	0.4
69.03413	0.8
69.07049	0.5
69.39927	2.9
70.02939	1.3
70.06586	4.0
70.25748	0.3
71.04958	0.4
72.08156	2.0
74.06076	0.5
79.05483	0.9
81.03378	0.8
81.07053	0.8
84.04487	2.0
84.08128	3.1
85.02885	1.2
85.04041	0.5
86.09695	100.0
87.05594	0.4
87.10025	0.6
88.03980	5.6
91.05475	1.1
93.07033	1.3
95.04950	0.5
95.08601	0.9
97.02876	0.6
97.04001	1.4
97.06523	0.5
97.52682	0.4
98.02419	1.1
98.09654	0.4
98.20744	0.5
102.05544	1.0
103.05434	0.5
104.07090	0.3
105.07021	0.5
107.08540	0.4
110.09666	0.3
111.05553	1.1
112.03944	0.5
112.08678	0.3
115.05046	2.7
115.45966	0.3
116.07005	0.3
119.08561	0.4
120.08089	13.5
123.08019	0.4
128.10724	0.5
129.06529	0.3
129.10245	1.3
130.04988	5.2
136.07568	0.5
137.05963	0.5
138.05495	0.3
139.04991	1.6
140.03358	0.4
141.37904	0.3
145.10089	0.4
155.11789	1.0
156.07722	1.1
157.06094	2.1
166.08626	4.0
169.12157	0.5
173.12834	2.9
175.07133	5.1
183.11383	0.7
184.07204	1.2
185.05574	4.2
188.04678	0.5
193.12254	0.5
201.12384	1.3
203.06641	6.9
217.08490	0.3
227.12665	0.4
231.06476	1.1
270.14468	4.2
279.17038	9.5
279.20105	0.5
281.11386	1.1
285.16977	2.3
288.15512	1.4
292.42221	0.4
298.13934	18.3
303.05154	1.0
304.05472	0.9
305.05606	1.3
316.15002	3.4
319.04401	0.6
481.21387	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22861	0.4
58.86022	0.5
71.13720	1.1
84.08118	0.6
85.99532	0.5
86.95477	0.5
91.05468	1.3
101.18543	0.5
115.05443	1.5
117.05746	0.9
117.07013	1.0
118.06519	17.7
130.06451	1.3
132.08078	4.3
142.06493	1.4
143.07278	2.5
144.08070	11.5
146.05986	58.0
159.09146	7.3
163.03844	1.5
170.05968	3.6
188.07036	100.0
189.07303	0.7
196.94083	0.6
205.09691	49.5
206.10101	0.6
293.99338	0.5
364.82361	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33195	0.3
54.36717	0.3
55.05491	0.7
56.05015	0.8
60.04515	3.3
67.05476	0.7
68.04996	0.4
69.03413	0.8
69.07049	0.5
69.39927	2.9
70.02939	1.3
70.06586	4.0
70.25748	0.3
71.04958	0.4
72.08156	2.0
74.06076	0.5
79.05483	0.9
81.03378	0.8
81.07053	0.8
84.04487	2.0
84.08128	3.1
85.02885	1.2
85.04041	0.5
86.09695	100.0
87.05594	0.4
87.10025	0.6
88.03980	5.6
91.05475	1.1
93.07033	1.3
95.04950	0.5
95.08601	0.9
97.02876	0.6
97.04001	1.4
97.06523	0.5
97.52682	0.4
98.02419	1.1
98.09654	0.4
98.20744	0.5
102.05544	1.0
103.05434	0.5
104.07090	0.3
105.07021	0.5
107.08540	0.4
110.09666	0.3
111.05553	1.1
112.03944	0.5
112.08678	0.3
115.05046	2.7
115.45966	0.3
116.07005	0.3
119.08561	0.4
120.08089	13.5
123.08019	0.4
128.10724	0.5
129.06529	0.3
129.10245	1.3
130.04988	5.2
136.07568	0.5
137.05963	0.5
138.05495	0.3
139.04991	1.6
140.03358	0.4
141.37904	0.3
145.10089	0.4
155.11789	1.0
156.07722	1.1
157.06094	2.1
166.08626	4.0
169.12157	0.5
173.12834	2.9
175.07133	5.1
183.11383	0.7
184.07204	1.2
185.05574	4.2
188.04678	0.5
193.12254	0.5
201.12384	1.3
203.06641	6.9
217.08490	0.3
227.12665	0.4
231.06476	1.1
270.14468	4.2
279.17038	9.5
279.20105	0.5
281.11386	1.1
285.16977	2.3
288.15512	1.4
292.42221	0.4
298.13934	18.3
303.05154	1.0
304.05472	0.9
305.05606	1.3
316.15002	3.4
319.04401	0.6
481.21387	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.3077
Annotation	PE(18:1(9Z)/0:0)
Peak:m/z	Relative Intensity
50.23335	1.1
55.05304	1.2
55.05506	12.3
57.03416	2.8
57.07051	3.8
62.05780	1.4
62.06083	26.1
67.05486	9.8
68.50586	1.0
69.07058	16.7
71.04978	1.7
71.08624	2.5
71.63312	1.8
79.05479	5.3
81.07041	10.3
83.08605	11.2
93.07045	4.6
94.03060	1.1
95.08593	10.0
97.06525	1.4
97.10153	5.2
98.06020	1.5
98.98434	6.2
104.38478	1.1
105.25385	1.2
107.08575	2.7
109.10122	5.9
111.11706	2.2
115.03932	1.2
121.10148	5.1
123.11668	1.3
124.01547	2.1
135.11674	3.0
149.13271	1.6
155.01051	7.7
189.03879	2.6
192.17442	1.5
198.05188	2.2
216.06303	3.1
265.25281	4.4
308.29385	16.9
319.31796	1.8
339.28900	100.0
340.29300	1.8
391.84689	1.4
419.25668	4.3
436.35678	3.9
439.13669	1.3
462.23950	1.2
462.29428	6.8
480.30698	3.3
480.38220	7.3
481.14938	7.0
491.61838	1.3
505.44223	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.3081
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01834	0.7
55.05514	1.3
56.05032	1.4
57.03423	0.9
57.07095	0.9
58.06586	0.9
60.02953	0.7
60.08155	16.5
67.05486	1.9
69.07056	1.8
70.06583	1.8
71.07367	5.9
71.08624	0.8
79.05480	1.7
81.07047	2.6
83.08603	1.6
86.09692	49.2
91.05444	1.0
93.07015	1.6
95.08598	1.8
97.06544	1.3
98.21526	1.2
98.98460	2.9
103.38184	0.7
104.10728	100.0
107.08608	1.1
109.10133	0.8
121.10140	1.1
124.99984	23.7
153.05354	0.7
154.59622	0.7
163.03889	7.3
163.05078	1.2
163.68246	0.7
184.07314	95.7
207.06544	7.7
258.10956	0.9
285.85776	0.7
300.28961	1.7
320.72507	0.7
394.43420	0.8
396.93716	0.7
462.15845	1.4
462.29718	10.3
480.30798	39.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.3522
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	1.8
55.05506	7.6
56.05020	4.0
57.03423	3.6
60.04514	47.4
67.05498	18.4
69.03412	5.4
69.07050	10.5
70.06570	10.9
71.04977	8.3
71.62917	1.4
71.63322	2.6
72.08131	2.2
73.02888	1.7
74.06042	2.5
79.05470	12.3
80.05027	2.7
81.03406	12.0
81.07034	25.9
82.06564	3.2
83.04948	2.1
83.08609	6.6
84.08126	5.3
85.02891	10.6
85.06523	5.3
86.06034	2.2
86.09686	5.8
91.05454	5.2
93.07037	15.3
94.06541	4.6
95.04952	6.0
95.08585	24.5
96.08103	2.2
97.02890	1.8
97.06509	6.5
97.10130	1.9
98.06010	3.1
98.09731	2.3
99.04376	3.0
99.08063	5.4
100.11250	3.4
105.01841	1.9
105.07022	8.6
107.08557	4.9
109.02853	3.2
109.10124	8.9
110.09679	2.5
111.08073	7.0
112.11246	2.3
120.08100	2.7
121.10125	7.2
122.09641	7.4
123.08052	22.2
123.11671	5.3
127.03918	6.2
128.10684	9.1
133.10078	1.8
135.11671	7.1
140.10670	66.1
141.09103	7.2
145.10114	2.9
147.11604	1.8
149.13249	4.0
158.11772	9.9
159.11665	2.0
173.02406	1.9
176.12781	8.4
215.07037	2.4
224.93262	1.6
233.15256	4.9
286.23697	3.4
302.13947	1.9
303.04941	1.6
304.05252	6.4
310.23602	2.3
312.11746	1.6
348.14401	2.2
368.74826	1.7
395.19986	5.7
408.30978	5.0
426.32068	41.8
437.21307	12.6
444.33124	100.0
462.34189	44.7
479.80392	2.8
480.30096	17.5
480.35669	3.1
480.80377	12.3
481.20401	83.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.3078
Annotation	PE(18:1(9Z)/0:0)
Peak:m/z	Relative Intensity
53.65448	0.5
55.01846	0.4
55.05503	11.1
55.30721	0.5
57.03428	5.8
57.07071	6.5
62.06061	0.6
67.05498	10.7
67.49056	0.4
69.07056	17.1
70.75803	0.6
70.76178	1.4
71.07343	0.5
71.08622	3.7
79.05486	4.6
81.03381	0.6
81.07044	10.4
83.08141	0.8
83.08607	12.2
85.06480	0.9
85.10150	1.7
86.09683	2.4
87.10008	1.2
88.03960	0.7
91.05448	1.6
93.07024	5.6
95.04939	2.3
95.08052	0.7
95.08598	10.0
97.06488	1.8
97.10154	6.8
98.98431	0.8
99.08049	0.5
99.40920	0.4
104.10703	0.5
105.07027	0.6
107.08580	3.9
107.11131	0.5
109.10151	5.0
111.08032	1.1
111.11670	1.9
118.06490	1.0
119.04351	0.3
119.04942	3.7
121.10128	5.9
123.04416	5.6
123.11667	1.4
124.01559	0.5
124.99979	0.7
125.09563	1.2
132.08026	0.7
135.11667	3.7
139.11183	0.7
146.09630	2.1
147.04382	2.4
149.13194	1.9
153.12726	0.7
161.05948	0.5
163.01569	0.5
163.14755	1.0
165.05409	1.2
187.03891	2.0
189.05461	1.1
198.05232	0.5
207.06494	6.1
216.06328	0.8
219.06454	0.8
263.12680	3.1
265.25104	1.3
300.90826	0.4
308.29486	4.9
316.29941	14.1
339.28894	100.0
340.29251	2.2
480.34427	23.7
481.34900	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.336
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	2.6
55.01857	4.0
55.05505	31.6
57.03416	9.1
57.07055	6.8
62.88926	1.9
65.03909	3.9
67.05492	100.0
69.03422	2.9
69.07058	20.5
71.04984	6.3
71.63564	3.4
73.06551	2.5
79.05477	38.6
81.06564	4.9
81.07040	78.9
83.04948	5.5
83.08601	18.8
85.02920	3.7
85.06532	4.5
87.04446	2.2
91.05459	26.9
93.07023	52.4
95.04934	4.9
95.08583	44.2
96.08954	2.0
97.06512	3.9
97.10149	15.8
99.08068	5.2
105.07009	18.4
107.08577	28.4
109.10135	65.2
111.08083	2.9
113.09673	2.4
117.06998	8.2
118.01787	2.3
119.08553	23.8
121.10120	31.7
123.04392	3.3
123.11698	11.3
125.09599	14.1
131.08522	17.3
133.10120	21.1
135.07996	4.6
135.11662	31.2
137.09590	4.1
137.13211	4.2
143.08510	5.0
145.10086	18.1
147.11684	14.3
149.09587	5.1
149.13228	14.2
153.09090	2.9
155.10677	3.8
157.10144	4.0
159.11642	15.1
161.13249	7.5
163.11139	2.1
171.11646	5.1
173.11711	14.5
173.13239	8.0
175.14828	4.1
177.12665	2.6
185.13191	4.6
187.14807	2.9
189.11211	13.3
192.17422	3.6
201.11275	4.3
205.19556	5.9
215.17888	20.7
217.19397	2.7
227.12759	10.9
229.04810	2.2
229.14297	39.5
231.17465	5.3
233.18970	38.1
240.87418	2.2
250.50084	2.2
261.22031	3.9
271.20490	3.2
289.21432	2.8
303.04889	21.3
307.22684	23.6
308.29349	19.7
316.29987	5.6
335.25757	4.2
339.28925	2.7
349.23419	2.5
351.26849	4.6
363.25397	3.5
364.35721	3.7
369.27811	12.6
387.28665	8.3
405.29797	6.1
435.35696	6.0
443.31625	7.4
461.32529	62.9
461.38885	4.3
462.33023	2.8
479.33267	45.6
479.38657	5.4
479.44180	3.7
480.34448	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	479.3361
Annotation	Dolicholide
Peak:m/z	Relative Intensity
53.03923	1.9
55.01849	0.9
55.05501	6.9
57.03429	6.4
57.07053	1.9
57.36728	0.6
65.03928	1.8
67.05492	28.0
69.03417	0.7
69.07053	11.8
69.54488	1.6
69.54918	3.0
70.17864	0.5
71.04984	1.3
71.08594	0.6
73.06537	1.3
79.05477	26.0
81.07041	100.0
82.07364	0.7
83.04971	2.0
83.08604	5.5
85.06547	0.9
91.05461	11.3
93.07024	19.4
95.04951	1.7
95.08588	21.7
97.06512	3.8
97.10155	2.2
99.08067	4.5
103.03950	0.7
105.07015	8.5
107.08576	12.4
109.06503	2.1
109.10139	11.0
111.08067	1.1
117.06997	3.8
119.08540	9.3
121.10116	10.0
123.08103	0.7
123.11679	4.3
125.05959	1.0
127.07537	3.5
129.06993	0.8
131.08562	7.6
133.10097	7.0
134.10498	0.7
135.08040	1.0
135.11668	8.6
137.09627	0.7
137.13237	2.2
141.07085	0.7
143.07022	5.3
143.08543	1.8
145.08597	7.4
145.10123	7.1
147.11668	5.0
149.09612	0.9
149.13225	5.2
154.68767	0.5
155.08591	0.9
157.10129	1.5
159.11665	4.9
161.08075	1.2
161.13232	5.0
163.11197	0.6
163.14816	3.0
169.10136	1.0
171.11761	1.7
173.13248	4.1
175.14819	1.5
177.12842	0.8
177.16388	0.7
185.13318	1.2
187.14856	2.1
189.16359	0.7
191.14326	0.8
197.13255	1.1
199.09592	5.3
199.14835	1.5
201.11183	32.0
201.16313	0.9
202.11470	0.6
203.12682	0.6
203.14426	0.8
211.14804	1.2
213.16431	1.1
225.16362	0.7
233.19131	0.8
241.19644	0.8
243.20988	4.4
259.20642	1.9
261.22058	14.7
271.20642	1.0
279.23215	1.5
289.21518	0.9
303.04956	2.7
316.73270	0.6
317.24771	2.6
324.30246	0.7
325.27420	0.7
333.24261	0.9
335.25748	20.4
351.26602	2.2
359.29526	0.9
363.25381	1.5
369.27850	5.9
387.28949	3.9
405.30167	1.4
408.10773	0.7
415.33566	0.8
435.40106	3.6
443.31360	3.8
461.32574	29.5
462.33139	0.9
479.27625	6.4
479.33762	17.8
479.42853	7.1
480.28012	0.7
480.34134	0.8
499.20761	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.0557
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74872	1.5
52.89184	1.4
70.28970	6.7
94.92991	8.8
136.94005	64.5
148.93991	20.2
150.53346	1.4
150.85248	1.5
166.95061	30.0
196.96147	8.8
202.89165	2.5
256.84793	1.7
256.98196	18.3
289.63379	1.5
344.85721	2.2
355.64508	1.8
381.07867	100.0
382.07727	1.6
401.36115	1.5
419.03455	75.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.0555
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61100	1.4
56.29927	1.2
57.49015	1.2
70.42787	4.3
94.92971	6.5
104.64188	1.3
112.89560	2.9
114.89340	7.0
120.96629	2.2
136.94002	58.1
148.93997	18.2
166.95050	28.1
178.95053	1.8
196.96167	8.4
208.96165	1.2
214.89333	2.2
238.97092	2.7
256.90558	3.5
256.98260	14.2
335.82440	1.3
381.07880	100.0
403.06137	1.4
419.03433	71.0
450.38120	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.0812
Annotation	Quercetin-3-Glucuronide
Peak:m/z	Relative Intensity
54.92142	0.2
55.01855	0.3
57.03413	1.1
59.10072	0.2
64.83877	0.3
67.01859	0.3
67.85548	0.3
68.99774	0.8
69.03405	0.4
70.68447	0.8
71.01347	2.1
73.02911	3.9
75.29443	0.2
81.03401	0.3
85.02895	9.6
86.08360	0.2
86.09723	0.4
93.03383	0.3
95.01318	1.4
95.04979	0.3
97.02853	0.5
99.00824	0.5
101.02360	0.6
103.03925	0.6
109.02879	0.5
111.00762	1.2
113.02351	4.5
121.02861	1.3
131.03423	2.3
136.07574	0.3
137.02330	3.6
141.01819	1.9
141.71570	0.2
149.02333	0.6
153.01808	4.1
155.04893	0.3
159.02852	2.3
163.03894	0.7
165.01778	2.2
166.02623	0.3
173.05966	0.5
175.16301	0.2
179.03258	0.4
183.02864	0.8
183.04375	0.5
201.05438	2.3
203.11070	0.3
205.04959	0.3
219.06551	0.5
219.70547	0.2
229.04956	5.6
233.04361	0.2
247.06047	0.8
257.04428	3.3
274.04706	1.0
285.03989	1.3
303.04953	100.0
304.05316	2.4
391.03326	0.3
433.07806	0.3
437.79205	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.3672
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02350	0.4
53.03925	0.5
55.05499	0.9
57.07060	1.5
67.05486	1.3
69.07037	1.4
69.51756	1.8
69.52187	1.6
71.08626	1.0
72.21203	0.3
76.23529	0.4
79.05051	0.8
79.05484	10.3
80.05003	1.0
81.07029	2.1
82.06552	0.5
83.08618	1.1
87.04453	1.8
88.06359	0.3
91.05465	1.0
93.07034	2.0
94.06546	0.8
94.96685	0.3
95.04948	0.9
95.08607	1.2
97.10155	0.5
98.06039	0.8
98.20769	0.8
103.05455	19.7
105.06980	1.9
107.04945	10.6
107.08549	0.5
108.08099	1.0
109.10114	0.7
118.06509	3.4
120.73367	0.4
121.06490	0.9
123.11668	0.4
124.07546	1.9
127.49734	0.3
131.04903	5.7
132.08063	2.3
133.08806	0.9
135.11617	0.5
138.09129	0.5
144.08130	0.5
146.09627	5.0
149.05945	0.4
152.10745	0.6
160.11171	0.9
166.08647	0.6
192.17497	1.2
194.11751	0.8
202.15845	0.5
206.19078	0.7
216.17593	0.5
218.19006	0.6
218.38075	0.4
220.20564	0.9
230.19070	0.6
232.20534	0.5
234.22145	0.7
246.22118	0.5
258.22083	0.8
278.24673	0.6
280.13290	0.6
283.71387	0.4
286.90134	0.4
294.14944	1.2
303.05029	1.4
318.31494	1.0
330.31497	25.9
348.36481	0.7
357.35498	0.4
432.41989	0.7
434.39761	10.5
434.43982	7.2
478.36694	100.0
478.42859	14.3
478.47296	3.4
479.36899	3.7
479.41779	0.4
501.33984	0.4
502.31763	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.3672
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02361	0.3
53.03933	0.7
55.05496	0.6
57.07057	0.9
61.16383	0.2
67.05494	1.0
68.05018	0.3
69.07047	0.8
71.08626	0.5
72.08126	0.3
79.05478	9.7
80.05009	0.7
81.03372	0.3
81.07045	1.5
83.08588	0.7
85.10175	0.3
86.09695	0.4
87.04462	1.1
89.02283	0.4
91.05468	0.9
93.07036	1.2
94.06517	0.2
95.04936	0.8
95.08578	0.7
96.08142	0.4
97.10149	0.2
98.06039	0.3
103.05449	18.1
105.07024	2.0
107.04935	9.1
107.07358	0.3
107.08576	0.3
109.10159	0.4
112.11150	0.2
118.06526	3.7
121.06483	0.8
121.10159	0.3
121.87383	0.2
122.09624	0.2
124.07568	0.8
130.08585	0.4
131.04915	5.0
132.08067	1.8
133.03130	0.3
133.08873	0.7
134.03496	0.2
134.09613	0.2
135.02751	0.5
136.07617	0.2
144.08032	0.2
146.09621	3.8
147.10411	0.2
149.05939	0.4
154.65262	0.2
158.11781	0.3
160.11186	1.1
166.08571	0.3
174.12737	0.3
176.07025	0.2
181.15758	0.2
188.06981	0.3
190.08688	0.4
192.17476	0.3
194.11749	0.5
202.15906	0.4
204.17506	0.2
206.18936	0.3
216.17528	0.4
220.20551	0.4
230.19012	0.7
232.20496	0.4
234.22195	0.3
244.20572	0.4
246.22241	0.3
258.22192	0.3
261.93420	0.2
266.11652	0.6
268.22687	0.3
274.17972	0.2
280.13385	0.4
282.14545	0.2
288.19577	0.3
294.14847	0.8
296.25745	0.5
300.27179	0.2
302.21027	0.2
303.04971	0.3
318.31546	0.3
320.25754	0.3
330.31491	23.5
331.31900	0.6
344.32870	0.5
346.34131	0.5
347.14987	0.2
348.36060	0.4
389.17157	0.2
390.51343	0.2
418.35352	0.2
432.36545	0.3
434.39423	8.7
460.41504	0.2
463.20877	0.4
478.22824	2.2
478.36661	100.0
478.42624	10.8
479.22409	0.9
479.37012	3.8
479.43408	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.425
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	1.8
56.05014	0.3
57.07075	1.5
67.05505	2.4
68.04994	0.7
69.03374	0.4
69.07050	1.8
69.44414	0.3
70.06596	0.5
71.05265	0.5
71.05613	0.6
71.08595	0.7
71.48035	0.3
79.05489	1.9
80.05014	4.8
81.03381	0.9
81.07049	3.1
82.06557	0.5
83.08569	1.0
85.10105	0.3
86.06042	0.9
87.04453	11.3
91.05453	0.3
92.74415	0.3
93.07020	2.1
94.06523	0.9
95.07304	0.5
95.08593	2.3
96.08106	1.6
97.10140	0.6
98.06056	3.0
107.08544	1.0
108.08092	1.5
109.08812	0.3
109.10131	1.0
119.08566	0.3
121.10092	0.6
122.09628	1.0
123.11690	0.3
124.07546	1.0
133.10036	0.3
134.99178	0.3
135.11667	0.5
136.07533	1.2
138.09183	0.3
142.08612	0.5
150.09070	0.5
166.08617	5.3
180.10150	1.1
180.17392	0.6
181.10944	1.0
182.11742	0.8
184.09657	1.3
192.17422	1.6
194.11725	2.7
194.19032	0.8
195.12439	0.4
206.18980	1.8
208.13228	0.6
208.20557	0.5
220.20576	1.9
222.22066	0.4
234.22096	2.1
236.23688	0.5
248.23726	0.7
250.18068	0.3
250.25247	0.4
268.22650	0.5
278.21176	1.4
280.22620	0.5
292.22778	1.8
294.24246	0.6
296.25757	0.8
306.24313	0.8
308.25754	0.5
320.25690	2.2
322.27362	0.5
332.33032	0.7
346.34689	2.8
348.36243	5.6
388.39609	0.4
432.38269	1.0
434.39880	81.5
435.40216	2.8
436.41251	0.9
478.42490	100.0
479.42789	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.292
Annotation	LysoPE(18:2w6/0:0)
Peak:m/z	Relative Intensity
53.03932	0.6
55.05258	0.9
55.05501	10.8
57.03428	5.9
57.07053	1.7
65.03925	0.9
67.05495	20.2
69.07056	14.1
71.04995	0.9
79.05463	4.1
81.07043	20.7
83.04942	0.7
83.08600	5.9
85.06516	0.6
91.05467	3.2
93.07027	5.8
95.08588	14.6
97.06498	0.8
97.10175	2.9
98.98459	0.6
105.07000	2.4
107.08590	2.8
109.10133	6.2
110.54004	0.5
111.08017	0.7
111.11655	0.5
111.26925	0.5
118.75653	0.5
119.08555	2.4
121.10113	1.8
123.11662	2.6
125.09599	0.7
133.10081	2.6
135.11658	1.9
137.13246	0.8
147.11647	1.5
149.13219	1.1
161.13179	0.7
163.78336	0.5
175.14897	0.6
216.06334	0.6
244.74071	0.5
263.23605	1.4
294.98343	0.5
306.27856	3.9
337.27301	100.0
338.27567	6.2
410.71750	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.3157
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41661	3.6
62.16822	4.0
67.05499	23.6
69.07035	4.1
69.74556	4.1
69.74972	3.4
71.23322	8.9
71.23697	8.3
72.53209	3.8
79.05471	8.0
81.07046	28.4
86.09643	4.4
89.16715	4.5
91.05462	8.7
93.07027	10.4
95.04961	3.8
95.08593	27.5
97.10184	5.1
105.07011	4.3
107.08553	4.3
109.10147	22.2
119.04919	8.4
121.10101	10.7
123.11719	9.3
133.10104	8.7
135.11664	6.8
136.06180	22.7
137.13258	5.4
147.04382	100.0
149.13263	6.1
151.11134	6.7
155.10564	7.2
165.05455	36.6
195.13789	5.8
215.17961	20.9
226.28099	4.8
233.19034	21.4
251.20018	91.3
269.21225	4.9
293.80283	4.5
303.04987	15.3
339.08649	4.4
367.47540	4.1
391.06229	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	478.292
Annotation	LysoPE(18:2w6/0:0)
Peak:m/z	Relative Intensity
50.41406	0.9
55.01860	1.4
55.05502	8.9
57.03423	3.4
57.07066	1.8
58.93053	1.1
60.52142	1.1
62.05775	2.0
62.06078	31.5
64.50940	1.0
67.05496	20.8
69.07050	10.9
69.94389	4.6
69.94803	2.0
79.05476	6.3
81.07044	23.3
83.08607	5.7
84.62025	1.0
91.05476	2.8
93.07014	5.3
94.90797	1.1
95.08584	18.8
97.06523	1.4
97.10162	3.7
98.06061	2.8
98.98444	7.1
105.07007	3.8
107.08585	4.2
109.10124	7.0
119.08567	4.6
121.10137	4.0
123.11713	3.5
124.01563	2.1
133.10062	1.2
135.11691	1.6
155.01019	5.1
167.02094	1.0
173.02025	2.1
180.79803	1.1
184.38269	1.3
198.05200	1.3
216.06305	5.4
216.08194	1.1
220.64604	1.1
245.22813	1.2
261.11746	1.2
263.23587	6.1
306.27905	16.9
337.27307	100.0
338.27652	5.6
460.28128	7.8
478.29181	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	478.2575
Annotation	Cytochalasin A
Peak:m/z	Relative Intensity
51.47389	0.3
51.96593	0.4
53.03950	0.6
55.01867	1.0
55.05501	16.8
56.05022	0.7
57.07068	2.7
58.99575	15.2
61.01143	1.0
67.05483	2.3
69.03409	0.6
69.07057	16.1
70.02971	0.6
70.06581	1.2
70.18815	0.4
71.08620	3.7
73.01134	1.2
74.06070	0.4
75.34380	0.3
76.02214	10.9
76.03985	3.5
79.05486	1.3
80.04998	0.6
81.03401	1.6
81.07047	2.8
83.06091	1.3
83.08605	17.7
84.04493	10.9
85.01130	0.6
85.02889	2.2
85.10181	0.5
86.09692	0.4
86.99039	11.6
87.02673	1.2
88.02210	3.4
91.05451	0.5
93.07028	1.1
95.04940	0.5
95.08584	2.8
97.02862	1.0
97.10153	23.0
99.02688	0.4
99.05571	1.3
101.04240	0.7
102.05527	0.5
103.02114	0.5
105.00146	0.5
105.01826	0.6
107.08572	0.7
108.08890	0.4
109.02888	0.7
109.10147	0.8
111.11707	5.1
113.04205	0.6
114.03738	0.5
116.01656	51.4
117.03702	0.7
121.06472	0.4
121.10126	0.5
127.03894	1.6
127.04855	0.3
127.05811	0.6
129.06538	2.3
130.04979	2.4
135.11690	0.6
137.02269	0.4
142.03198	5.3
142.40712	0.4
144.01118	24.5
145.05045	0.7
145.05995	2.0
151.08946	0.4
151.14790	0.6
159.02766	0.4
162.02171	100.0
163.02509	0.7
169.06039	0.4
170.02655	1.6
171.17426	1.5
179.04819	1.8
185.13506	0.5
186.22119	0.9
196.24077	0.4
199.07126	0.4
199.15114	0.9
201.13011	0.4
211.15140	0.7
215.04996	0.4
229.16167	26.1
245.05806	1.1
246.18845	3.1
267.15811	0.4
303.04950	6.1
314.17798	0.8
331.18524	0.5
332.18835	35.1
335.45813	0.4
341.36444	0.4
349.21497	21.3
350.22046	0.4
368.22726	0.6
375.23026	0.4
386.23846	1.0
403.22498	9.2
415.22519	0.5
460.27667	1.2
461.22873	1.1
478.25378	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	478.2575
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	0.6
53.72176	0.4
55.01872	0.4
55.05504	17.0
56.01375	0.4
56.05014	0.6
56.34164	0.4
57.07066	3.2
57.98758	0.6
58.99577	14.8
61.01124	1.6
67.05487	0.9
69.07059	17.8
69.07448	0.8
69.97306	0.9
69.97713	1.3
70.06569	0.6
71.04961	0.5
71.08616	4.0
73.01118	1.5
76.02216	9.8
76.03992	3.6
79.05481	0.7
80.04986	0.5
81.07047	2.1
83.06088	2.7
83.08609	19.3
84.04026	0.7
84.04491	10.0
84.08126	0.6
85.01098	0.5
85.02888	0.8
85.10157	0.4
86.99037	10.3
86.99564	0.8
87.02663	1.2
88.02204	2.4
91.05446	0.5
93.07027	1.2
95.08067	0.4
95.08588	3.1
97.10157	24.5
99.02673	0.5
99.05550	1.3
101.04224	0.6
105.00092	0.6
107.08582	0.6
109.02821	0.5
109.10137	1.2
111.11700	5.5
114.03742	0.5
116.01659	50.8
117.03696	0.6
121.10117	0.6
129.06583	3.9
130.04994	2.9
142.03209	4.6
144.01120	26.2
145.06039	1.3
152.04749	0.4
153.06555	0.6
162.02177	100.0
163.02509	0.5
170.02695	1.2
171.17438	1.4
177.16368	0.5
179.04823	1.3
181.06026	0.8
185.13524	0.8
186.22179	1.8
195.13779	0.6
199.07120	0.6
199.15149	0.6
201.13013	0.7
229.16185	18.4
229.18448	0.9
230.16696	0.4
245.05750	0.9
246.18823	1.9
252.07921	0.4
275.16422	0.4
303.01691	0.6
303.04922	2.1
314.17798	0.6
331.19058	0.6
332.18842	40.3
333.19284	0.9
349.21503	19.7
403.22562	15.6
404.22696	0.5
415.22461	0.7
460.24850	1.3
461.22916	0.9
478.25516	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	478.2279
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.3
55.01855	2.2
55.05495	3.5
57.03432	3.2
58.14522	1.2
60.04512	1.3
60.80618	1.3
67.05486	9.3
69.03423	15.1
69.07072	8.1
69.88396	7.5
70.06572	6.4
71.04980	4.9
72.08151	2.6
73.02892	2.5
79.05487	10.5
81.03403	9.5
81.07034	17.2
83.04967	1.5
83.08593	4.9
84.04488	2.5
84.08133	4.1
85.02892	39.8
85.06524	1.7
86.09704	7.1
87.00820	14.3
87.04465	3.0
91.05469	3.0
93.07033	21.5
95.04931	2.0
95.08588	8.6
97.02876	13.6
97.06523	3.9
98.21474	1.3
99.04443	4.2
105.01851	21.6
105.07044	2.3
107.04905	1.5
107.08579	13.5
109.02865	20.3
109.06539	1.4
109.10149	3.1
111.08055	1.7
112.62681	1.2
120.08096	2.2
121.10110	7.3
125.06049	3.1
125.09612	2.3
126.09977	1.8
127.03901	34.4
131.08562	2.3
133.10117	2.3
135.11697	4.3
136.06172	1.8
137.09532	1.2
141.09074	1.8
145.04939	5.7
149.13239	100.0
153.01779	1.4
159.02896	3.0
159.11644	4.2
163.03879	1.3
167.14281	7.8
177.12740	17.1
189.03915	1.5
195.11978	2.3
195.13789	49.9
213.03885	7.7
213.14835	57.9
231.04939	15.1
249.05907	1.5
259.09576	1.3
303.04999	15.8
304.05222	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	478.2274
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.2
55.01872	1.6
55.05502	2.3
55.06246	1.2
57.69918	1.0
67.05490	11.2
68.35165	1.2
69.03415	5.2
69.07050	6.0
70.06582	2.8
70.29932	3.1
71.04992	2.1
71.08622	1.5
73.02888	1.8
79.05483	9.9
81.03402	7.2
81.07044	27.2
81.49063	1.1
83.04974	1.6
83.08585	2.5
84.08134	1.5
85.02890	12.7
85.06509	1.7
87.00819	5.6
88.55760	1.1
91.05463	3.5
93.07030	19.2
95.04979	1.8
95.08591	12.1
97.02869	9.2
97.06522	2.0
99.04455	3.3
105.01881	5.2
105.07033	2.6
107.08585	15.0
109.02866	7.0
109.10145	2.7
111.04431	1.5
117.06971	2.0
119.08536	2.2
121.10126	8.4
125.05968	2.1
127.03901	14.1
129.01901	1.4
129.03368	1.4
131.08540	1.1
133.10049	1.0
135.07991	1.2
135.11716	2.0
144.01047	1.1
145.04956	2.9
145.06451	1.3
149.13234	93.0
151.14819	1.8
159.03079	2.2
159.04399	6.7
159.11670	3.8
173.39799	1.0
177.12764	16.7
177.16360	4.4
178.16817	1.3
187.03915	4.3
195.13779	46.8
205.04974	2.1
211.16989	1.3
212.17325	1.8
213.03900	13.6
213.14825	100.0
214.15091	1.5
216.04117	2.2
229.17949	1.3
230.18297	3.4
231.06644	7.1
273.05862	1.0
300.02573	1.1
303.05002	4.8
425.18002	3.8
461.11819	1.3
478.28326	1.6
479.13623	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	477.2851
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64063	2.7
55.01862	9.4
55.05505	36.0
57.03431	7.4
64.39509	2.6
67.05499	45.6
69.03422	13.6
69.07059	26.0
70.06581	8.1
70.25053	2.8
71.04971	6.8
71.62760	3.9
72.08146	3.2
79.05481	41.0
81.03407	44.5
81.07045	50.3
81.60236	3.1
83.04967	15.2
83.08612	27.3
84.04497	9.3
84.08139	4.6
84.86058	3.2
85.02889	9.7
85.06544	9.7
86.09705	7.3
91.05475	29.8
93.07032	35.0
95.04946	27.7
95.08595	31.2
97.02903	7.6
97.06523	6.6
97.10149	27.0
102.05571	6.1
105.07021	33.8
107.04958	22.8
107.08585	33.1
109.02874	4.1
109.06525	10.1
109.10130	22.8
111.08100	7.4
117.06997	16.8
119.04939	4.1
119.08569	21.3
121.06474	28.1
121.10142	12.5
123.08075	9.5
123.11703	8.5
125.09606	22.3
127.03905	5.6
128.50110	3.1
129.06981	13.2
129.10292	2.9
130.05025	5.4
131.08575	19.3
133.06512	8.3
133.10150	13.8
135.08064	15.6
135.11661	6.6
136.12134	2.8
137.05968	4.4
137.09612	5.8
140.07118	3.9
140.20518	3.6
143.08545	10.9
145.06506	16.7
145.10107	11.4
147.08058	8.9
147.11699	15.7
148.06052	10.8
149.09604	8.2
149.13223	3.3
153.09065	4.8
153.12752	6.3
155.08464	5.5
157.10133	13.5
159.07964	4.1
159.11725	4.6
161.05846	3.5
161.09657	4.5
163.11153	6.6
165.09152	5.0
167.14340	4.7
169.10153	5.2
169.12199	9.4
171.08029	5.2
171.11716	7.8
173.06027	3.0
173.09695	5.9
173.13231	4.6
175.11201	9.3
181.10045	4.0
187.14713	3.5
189.11230	11.3
189.12767	4.9
193.12210	22.1
197.13232	5.3
211.13138	3.8
211.16818	16.8
213.14859	3.7
215.14203	3.9
227.12828	12.9
229.17986	31.7
233.15396	11.3
245.15385	5.5
249.14804	4.4
255.13789	5.5
267.15884	46.8
273.14841	7.4
301.18036	4.5
302.18262	9.4
315.08582	7.4
339.23077	4.9
341.21121	7.3
349.21631	7.6
357.24173	4.6
367.22580	25.1
385.23724	45.8
403.24722	19.2
415.24823	4.6
433.25854	25.3
441.26395	5.7
459.27402	100.0
477.22000	3.0
477.28519	66.6
478.19855	3.5
478.28528	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	477.2328
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.8
55.01860	2.1
55.05501	12.4
57.03421	2.3
57.07048	1.7
59.04991	1.8
61.02923	1.2
67.05502	9.8
69.03416	11.8
69.07056	8.4
70.06572	3.1
71.04972	4.1
71.62668	1.5
71.63022	0.9
78.97783	0.9
79.05494	5.5
81.03401	9.6
81.07037	11.2
83.04974	13.9
83.08604	13.0
84.04492	1.9
84.08095	2.1
85.02893	13.6
85.06518	7.6
87.00819	4.2
87.04417	1.3
91.05481	2.8
93.07032	7.2
95.04948	3.8
95.08589	6.8
97.02877	4.4
97.06559	1.5
97.10159	2.7
99.04430	2.9
99.08070	4.1
101.06006	1.1
105.01850	3.2
105.07005	3.6
107.04937	2.0
107.08584	10.4
109.02870	6.0
109.06550	1.7
109.10146	24.1
111.01212	0.9
111.08091	1.7
113.06020	1.4
117.01814	1.3
117.06998	1.7
119.08548	3.6
120.60858	0.9
121.06496	2.6
121.10120	6.4
123.08052	1.3
123.11684	10.9
125.09590	6.8
127.03912	8.5
127.11189	12.5
131.04788	1.1
131.08565	1.4
133.10100	3.8
135.11668	7.8
137.09598	2.3
145.04916	2.7
145.10092	1.8
147.11681	2.1
149.09596	1.2
149.13229	6.7
151.07590	1.1
151.11150	4.2
153.12750	1.4
159.02873	2.2
163.11131	1.3
165.09091	3.7
167.14299	13.7
169.12209	20.6
173.09602	1.8
175.14806	2.9
185.15303	11.9
193.12157	2.2
193.15895	7.1
209.15262	1.6
211.16898	56.6
212.17250	1.0
213.14944	1.0
225.12079	0.9
227.12747	1.1
229.08359	1.2
229.17955	100.0
230.18277	2.7
248.42651	1.0
265.14249	2.9
367.22675	1.6
385.23703	1.4
459.21634	1.6
459.27344	1.7
477.13760	1.8
477.28284	5.3
493.59555	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2842
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	11.3
55.01867	18.4
55.05257	4.1
55.05505	45.9
57.03424	15.7
57.07072	4.2
58.99569	5.9
61.02916	5.1
63.80322	2.3
67.05498	47.4
69.03425	28.9
69.07041	16.7
69.91024	5.9
69.91437	12.9
70.03761	3.5
70.06573	8.6
71.04985	14.1
73.02884	3.8
73.25249	2.4
76.02216	13.6
77.02526	3.0
79.05485	46.2
81.03403	59.8
81.07050	45.3
82.03738	6.7
82.07363	4.8
82.92142	2.5
83.04953	9.0
83.06055	3.6
83.08607	36.4
84.04485	9.7
84.08131	3.6
85.02894	68.5
85.06524	5.3
86.03232	12.6
86.99037	6.5
87.00808	27.2
91.05467	36.0
93.07033	29.5
95.04954	26.5
95.08598	27.4
96.08940	4.3
97.02883	41.7
97.06522	8.6
97.10166	39.5
98.03209	7.5
99.04429	13.7
100.04752	3.3
102.05576	3.3
103.05452	2.6
105.01852	29.4
105.07005	28.3
106.07388	2.8
107.04933	28.9
107.08583	32.7
109.02857	20.3
109.06503	11.1
109.10139	17.1
110.03207	7.7
110.07155	4.5
111.08092	6.1
116.01659	22.0
117.07009	11.9
119.04871	4.3
119.08561	16.9
120.08933	3.3
121.06505	23.5
121.10116	14.1
123.04411	3.1
123.08049	10.8
123.11713	3.5
125.09607	27.4
127.03900	46.6
128.04210	14.6
129.01875	3.8
129.06978	15.2
130.04935	3.5
131.04918	8.3
131.08578	19.6
133.06477	8.5
133.10100	15.9
134.10439	6.4
135.08055	9.1
135.11671	9.3
136.12010	2.7
137.06071	3.2
137.09558	2.9
141.06903	4.1
143.08548	8.1
144.01125	4.6
145.04979	26.6
145.06378	14.4
145.10101	8.5
146.05272	8.1
147.04337	3.1
147.08032	13.2
147.11635	11.9
149.09578	12.3
149.13237	6.7
150.13670	4.1
153.09081	4.9
155.08507	6.6
157.06425	4.7
157.10065	6.3
159.02899	10.9
159.08081	6.0
159.11723	6.4
160.03172	4.6
161.05948	2.7
161.09570	3.0
161.13313	3.5
162.02165	27.5
163.02531	2.9
163.11188	4.8
169.10089	3.6
171.08037	6.7
171.11626	6.4
173.09586	3.8
173.13271	3.7
175.11179	9.2
175.14798	6.2
176.15178	6.0
177.12746	3.2
185.09567	3.4
187.11156	4.8
187.14833	5.0
189.11198	14.3
189.12700	3.6
193.04938	6.6
193.12199	21.1
193.15872	9.3
194.16147	13.5
195.11583	3.7
197.13249	3.0
199.11165	3.9
205.12041	3.8
211.13181	3.7
211.16893	18.2
212.17244	24.8
215.14198	7.1
223.11209	3.3
223.13191	2.9
225.12726	4.1
227.12674	16.6
227.16345	4.4
227.18414	3.2
229.16183	7.4
231.04903	6.8
232.05356	3.5
233.15346	16.9
245.15300	3.9
267.15854	38.0
273.14865	11.7
289.18033	2.7
329.18823	14.6
330.19232	33.8
332.18912	6.8
339.23236	4.5
341.21124	6.5
347.18066	2.7
349.21545	11.6
357.24179	7.0
367.22592	32.0
385.23666	55.7
399.23099	3.2
402.21271	3.3
403.24646	24.5
415.24591	5.3
433.19321	14.8
433.25745	26.6
441.26288	7.5
459.27341	100.0
460.27728	3.5
460.71747	2.8
477.18192	4.4
477.28564	69.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2326
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.4
55.01850	2.6
55.05505	14.8
57.03420	2.5
57.07055	3.2
59.04978	3.1
63.34130	0.9
65.03926	1.0
67.05495	12.2
67.26758	0.7
68.99763	1.0
69.03414	13.0
69.07061	8.8
70.06570	2.6
71.04986	5.0
72.08142	1.0
73.02898	1.8
76.45976	0.9
79.05481	7.4
81.03411	9.4
81.07048	12.7
83.04971	14.8
83.08609	13.6
84.08102	1.1
85.02892	14.0
85.06532	13.4
86.06835	1.1
86.09702	1.5
87.00816	6.1
87.04457	1.8
87.59924	0.8
91.05466	5.8
93.05671	0.7
93.07036	8.1
95.04971	5.7
95.08598	8.8
97.02887	4.0
97.06496	2.6
97.10140	4.4
99.04449	3.6
99.08094	4.2
101.05993	3.3
105.01833	3.4
105.07001	5.3
107.04922	1.5
107.08589	12.9
108.08886	0.9
109.02857	5.2
109.06508	2.5
109.10141	29.6
110.07113	0.7
110.10474	0.8
111.04404	1.0
111.08076	3.3
113.05964	2.0
113.09653	0.7
115.07563	0.9
117.01875	0.8
117.07027	1.1
119.08576	4.3
120.08102	1.2
121.06462	1.3
121.10135	7.1
123.08058	2.0
123.11686	12.1
125.09599	8.4
127.03896	7.8
127.07524	0.8
127.11164	8.6
129.07004	1.2
131.04948	0.9
131.08516	2.0
133.10124	4.5
135.08115	0.9
135.11661	11.0
137.05902	0.9
137.09607	2.3
139.11160	1.1
141.12770	0.7
143.08633	1.0
145.04938	3.0
145.06476	1.0
145.10075	1.3
147.08015	0.8
147.11647	2.4
149.06067	0.8
149.09628	1.2
149.13234	4.4
151.11177	3.6
151.14740	0.9
153.09077	1.0
153.12698	5.1
155.10655	1.1
157.10092	2.1
159.02870	2.7
165.09132	1.0
165.12704	1.2
167.14275	10.1
169.12224	20.8
171.11655	0.7
171.13815	2.6
173.09694	0.9
175.11244	1.0
175.14827	4.0
177.16364	4.6
178.16672	6.3
185.15346	6.8
189.11261	2.0
193.12225	5.8
193.15862	9.9
194.12553	6.6
201.05513	1.0
201.32368	0.7
209.15327	3.8
211.13374	2.2
211.16888	48.8
212.13586	3.3
229.04961	1.1
229.17960	100.0
230.18262	2.0
253.17950	1.3
267.15842	3.1
276.82828	0.7
281.17645	0.7
367.22760	3.7
385.23596	4.7
403.24811	2.1
433.19342	2.5
433.25476	1.4
459.22159	1.9
459.27765	7.6
477.13187	3.6
477.28729	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	476.355
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	0.7
55.05494	0.6
57.03422	1.4
57.07071	0.7
58.99564	1.7
61.01143	15.8
66.29833	0.5
67.05511	1.2
69.07049	1.4
69.42902	3.2
69.43316	1.1
71.08611	0.7
74.99052	0.9
75.02702	2.4
77.00632	1.1
81.07056	1.4
85.01109	1.2
85.02883	4.1
87.02680	26.4
89.04240	1.7
89.05986	0.8
91.02170	0.7
91.05430	0.6
93.07016	0.7
95.08554	0.7
105.00082	2.0
105.03696	2.5
105.06987	0.6
110.91240	0.5
115.02106	0.5
118.06535	2.3
132.08081	1.4
133.03169	59.5
133.08759	0.8
134.03510	0.8
137.05911	0.5
146.09613	3.9
216.17612	0.6
230.29526	0.6
236.20146	1.4
240.37112	0.5
250.21806	0.6
264.23169	0.6
318.31570	0.7
339.51025	0.6
344.33084	40.7
345.33420	2.0
348.32648	1.6
362.34161	2.1
476.35547	100.0
476.48349	19.6
477.35840	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	476.3551
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.7
55.05486	0.9
57.03425	1.7
57.07076	0.4
58.99570	1.5
59.96708	0.3
61.01140	17.2
67.05484	1.0
69.07070	0.4
69.26773	0.3
71.24114	0.5
71.24440	0.4
72.00353	0.5
74.99047	1.2
75.02690	2.4
77.00635	1.7
79.05481	0.5
81.07034	1.4
82.07395	0.4
85.01109	1.4
85.02893	4.9
85.59933	0.3
86.99058	0.3
87.02680	26.5
89.04234	1.4
91.02136	0.3
91.05448	0.5
93.07031	0.7
95.08578	0.8
105.00078	2.8
105.03716	3.9
105.07001	0.9
107.07392	0.3
107.08607	0.5
115.02108	0.5
118.06522	3.6
121.10141	0.3
122.09641	0.6
132.08054	1.9
133.03168	55.9
133.08890	0.8
133.10101	0.4
134.03442	0.3
135.11688	0.3
146.09616	3.9
152.04715	0.3
160.11182	0.7
174.12733	0.4
220.20561	1.2
234.22159	1.2
244.20682	0.5
246.22067	0.5
248.23734	0.4
265.88977	0.4
282.81149	0.3
344.33066	46.1
345.33411	1.9
362.34235	0.6
374.37680	1.3
435.21545	0.8
476.35498	100.0
476.44266	10.7
477.35767	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	476.2767
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.6
55.01834	0.3
55.05260	0.5
55.05504	6.0
57.03432	6.1
57.07054	0.5
62.06052	0.3
65.03921	1.1
67.05495	25.5
68.05804	0.3
69.06719	0.5
69.07060	6.3
69.63940	1.4
69.64360	0.6
71.04959	0.4
77.03863	0.3
79.05481	13.6
81.07046	21.3
83.04964	0.6
83.08614	2.7
85.06509	0.4
91.05464	5.6
93.07030	13.7
95.04945	1.6
95.08595	16.7
97.06496	0.8
97.10139	0.6
98.06043	0.4
98.98456	0.4
99.08057	0.4
105.04476	0.3
105.07010	3.5
107.08582	5.7
109.06494	0.5
109.10139	5.7
111.08035	0.3
112.05058	0.8
117.06995	1.1
119.08572	2.9
121.06485	0.4
121.10138	5.6
123.08022	0.4
123.11708	1.5
131.08551	1.7
133.10123	1.7
133.21278	0.3
135.11685	2.7
145.10097	1.3
147.11667	1.0
149.09676	0.3
149.13239	1.0
159.11656	0.6
161.13249	0.6
173.13225	0.7
175.14749	0.3
191.49261	0.2
198.05298	0.4
216.06250	0.7
257.35681	0.2
261.22189	0.5
304.26312	3.4
335.25748	100.0
336.26093	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2766
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.7
55.05505	5.2
57.03433	5.7
57.07067	1.0
65.03937	0.7
67.05497	28.1
69.07054	4.9
70.06571	0.8
70.36686	1.3
70.37090	1.6
79.05047	1.0
79.05482	12.3
81.07049	22.7
83.04977	1.0
83.08604	2.9
88.48380	0.7
91.05474	8.3
93.06463	1.1
93.07034	18.8
95.04957	1.9
95.08598	17.7
95.09219	0.9
97.06520	1.1
97.10146	1.2
98.06032	1.3
105.07020	5.9
107.08578	7.6
108.51949	0.6
109.10152	4.6
117.07013	3.0
119.08555	3.2
121.06470	2.6
121.10125	6.2
122.06832	1.1
123.11686	2.2
131.08577	4.2
133.10109	2.4
135.11685	3.0
137.13254	0.9
145.10098	2.4
147.11688	1.8
149.13254	2.7
159.11691	2.2
161.13289	1.1
163.14854	1.1
165.09064	0.7
173.13213	1.7
173.94673	0.7
181.60429	0.7
187.14696	0.8
206.01901	0.8
216.06404	0.6
243.21008	1.6
261.22040	1.5
304.26306	9.5
317.24423	1.1
335.25760	100.0
336.26105	1.9
476.27890	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2765
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	1.5
55.01848	0.8
55.05257	0.8
55.05503	9.2
57.03436	3.9
57.07058	1.3
62.06080	33.6
62.50781	0.7
65.03896	0.8
67.05495	32.7
69.07056	10.8
69.66796	0.6
71.04961	0.8
73.36080	0.6
79.05478	18.6
81.07043	29.1
83.04964	1.3
83.08130	0.7
83.08591	4.1
85.05267	1.5
85.06520	0.8
86.06051	1.0
91.04953	1.0
91.05474	10.0
93.07027	21.3
95.04928	2.3
95.08592	22.5
97.06528	1.4
97.10137	1.3
98.06035	8.7
98.20778	1.6
98.98450	8.1
105.07009	7.5
107.08572	9.2
109.06504	1.6
109.10149	7.4
112.07607	1.5
115.97440	0.6
117.06944	1.6
119.08553	5.7
121.06467	1.2
121.10139	7.4
123.11685	2.2
124.01592	1.8
131.08548	3.6
133.10115	4.6
135.11668	3.7
137.13237	0.7
142.02602	1.3
145.10080	1.9
147.11658	2.7
149.13219	2.6
155.01042	3.7
159.11668	2.5
161.13240	2.0
163.14766	1.5
173.02077	2.1
173.13177	2.0
175.14809	1.2
196.17032	0.6
197.08568	0.8
198.05237	2.0
208.16879	1.0
216.06319	3.6
224.63612	0.8
243.21045	2.0
261.22067	6.4
304.26300	81.8
305.26718	1.7
317.24753	2.0
335.25742	100.0
336.26129	2.5
415.22394	1.8
458.26480	8.3
476.27475	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	476.2483
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03919	0.7
55.01853	1.8
55.05489	2.4
56.05009	2.0
57.03421	0.8
57.07050	0.7
59.23337	0.6
60.04494	2.2
62.06064	3.4
67.05477	1.9
69.03429	4.0
69.07027	1.3
69.49066	0.9
69.49475	5.0
70.02931	0.9
70.06585	3.1
71.04980	0.6
71.08617	9.2
72.08125	2.3
73.02900	1.7
79.05459	2.1
79.17845	0.6
80.50924	0.5
81.03385	1.6
81.07051	7.1
83.04962	1.2
83.08601	1.3
84.04507	4.0
84.08130	1.8
85.02891	6.8
85.06516	1.4
86.06050	26.1
86.09684	2.0
87.04423	1.4
91.05468	2.1
93.07005	3.8
94.06528	0.8
94.62431	0.7
95.04959	1.3
95.08582	2.4
96.08099	1.9
97.02863	2.5
97.06505	1.2
98.09685	3.3
98.97524	0.7
99.04453	1.6
99.08073	6.2
100.07607	1.7
100.11215	5.4
101.02369	4.0
102.05498	2.4
104.07078	1.6
105.07012	1.8
107.08590	1.7
108.08103	1.8
109.02848	1.3
109.06495	11.1
109.10149	1.4
110.06075	0.8
110.09605	0.9
111.08064	5.6
116.10721	11.6
119.04910	1.5
119.08552	2.0
120.08040	1.5
121.08833	1.2
121.10105	1.0
123.11691	0.7
124.07556	1.6
124.11176	0.8
125.09554	0.7
126.09113	0.9
127.03890	2.6
129.10194	1.4
130.04961	3.0
131.08562	0.8
133.10081	2.2
134.09610	2.3
135.08047	1.8
135.10600	0.6
135.11708	1.0
136.07523	1.2
137.05963	6.8
137.09561	1.3
138.09113	2.0
142.08626	1.6
142.12247	2.7
143.10646	10.0
145.04944	1.7
147.11642	1.9
148.06010	10.7
152.10722	3.2
153.09164	0.7
153.50827	0.7
154.08568	1.7
155.07011	1.4
157.10234	0.6
160.13293	0.7
169.10071	0.7
170.11751	6.4
172.09581	0.8
175.07568	3.1
180.10152	3.5
182.15381	2.3
191.14264	0.8
193.12221	3.8
198.11221	100.0
199.11446	1.0
200.09212	0.9
209.16422	1.1
210.14771	1.3
211.13287	3.3
214.18059	2.0
216.12273	70.8
217.12447	0.7
239.14157	1.0
261.13263	1.0
283.16867	2.0
296.18539	2.1
301.17935	9.3
314.19556	67.5
315.20062	2.0
360.16513	6.2
378.17398	4.0
389.81238	0.9
399.79633	0.8
440.29742	1.3
444.34027	1.3
453.34460	4.2
453.84628	2.2
458.25623	1.2
458.31094	4.3
476.23718	3.6
476.32156	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2484
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70567	0.6
53.03951	0.5
55.01875	1.1
55.05502	1.1
56.05024	0.7
57.03431	0.9
60.04519	1.7
60.60294	0.4
61.02929	0.9
62.06069	2.0
62.08638	0.3
63.21220	0.5
64.87213	0.4
67.05487	2.1
69.03416	7.3
69.07063	1.0
70.02951	0.7
70.06570	1.9
70.18984	1.9
71.04978	0.8
71.08620	7.4
72.08150	0.9
73.02914	1.7
79.05460	2.0
79.10714	0.4
81.03410	2.8
81.07035	4.4
82.06575	0.7
83.08625	1.1
84.04485	0.7
84.08135	1.0
85.02887	7.8
85.03361	0.7
85.06536	0.4
86.06053	19.0
86.09707	1.4
87.00806	1.0
87.04427	0.9
88.04016	0.6
91.05471	1.6
93.07044	1.6
95.08590	2.3
96.08132	1.3
97.02867	4.3
97.06540	0.8
98.09691	1.7
99.04436	1.6
99.08079	11.8
101.02355	3.1
105.01871	0.6
105.07023	1.7
107.08589	1.1
108.08105	1.3
109.02875	3.0
109.06496	5.3
109.10139	0.8
110.06000	0.4
110.09668	0.6
111.04444	0.5
111.08054	5.1
116.07053	0.5
116.10715	9.7
119.08586	1.3
120.08057	0.5
121.06474	0.4
121.08852	0.7
121.10145	1.0
122.09678	0.8
123.04426	0.7
123.08094	0.8
124.11147	0.6
126.05462	0.4
127.03897	5.9
133.10110	1.5
134.09634	2.1
135.11702	0.6
137.05933	3.0
137.09589	0.5
137.13243	0.6
138.09146	1.3
140.10704	1.4
142.08618	1.2
142.12268	0.5
143.10661	2.4
145.04941	1.9
147.11650	2.2
151.11285	0.5
152.10620	2.4
155.06993	0.4
162.09215	0.5
165.09113	0.8
165.12799	0.5
168.10286	0.5
170.11717	6.2
171.85335	0.4
175.11176	0.8
175.14758	0.9
177.16408	0.4
180.10179	2.5
193.12170	1.8
198.11221	100.0
199.11554	1.4
201.16177	0.4
211.13206	2.0
211.16870	0.5
216.12274	64.6
237.18443	0.5
243.12212	0.8
255.19421	0.4
261.13303	3.1
296.18527	2.4
314.19617	7.1
314.23291	0.6
346.52933	0.5
360.16449	16.9
378.17538	10.9
440.30145	1.0
458.24072	0.8
458.30762	2.5
476.24524	6.9
476.30869	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	476.212
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.9
55.01849	0.7
57.03428	11.9
59.04987	1.5
60.04494	1.7
61.02900	0.6
63.26394	0.6
69.03418	40.8
69.77273	3.0
69.77686	1.1
70.06564	2.4
71.18701	0.7
72.08132	0.6
73.02914	1.1
75.04464	0.8
81.03394	1.5
85.02889	25.0
87.04453	25.9
93.07021	1.1
97.02876	29.7
99.04488	0.9
107.04937	100.0
108.05249	1.0
109.02913	1.0
115.03912	41.0
121.06493	3.0
127.03867	3.3
131.04930	3.6
133.04944	44.4
145.04938	3.0
149.05957	42.2
150.07605	9.2
157.06433	1.1
163.05962	1.1
165.09091	30.8
171.07994	0.9
173.05940	2.2
185.05916	0.8
189.09109	7.4
203.07027	5.4
207.10120	16.1
231.10138	1.6
243.10226	2.2
259.08112	1.6
261.11172	1.7
277.09229	0.9
295.10135	1.2
344.17133	1.3
422.78699	0.7
437.17111	0.7
457.60785	0.7
476.22720	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	476.2487
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49289	0.7
53.03938	1.6
53.14296	0.7
55.01864	1.1
55.05497	6.0
55.71058	0.8
56.05010	0.9
57.03404	1.2
57.07058	1.3
60.04513	1.0
61.02902	0.8
67.05496	5.9
69.03426	4.6
69.07056	8.7
70.06570	3.4
71.04970	1.6
71.62753	0.9
72.08137	0.9
72.57950	0.8
73.02899	1.4
77.90142	0.6
79.05486	6.8
79.47943	0.7
81.03397	3.5
81.06625	1.0
81.07043	9.6
82.07377	0.9
83.04961	1.3
83.08618	4.9
83.51498	0.7
84.08125	1.3
85.02889	7.9
85.06506	1.6
86.09693	1.4
87.00807	4.2
87.04419	0.9
90.28181	0.8
90.56534	0.8
91.05459	3.3
93.07026	12.8
93.07553	1.5
95.04971	1.4
95.08592	19.3
97.02876	7.3
97.06525	1.3
97.10156	2.1
99.04420	2.1
99.08117	0.8
105.01860	3.1
105.06996	6.1
107.08573	17.5
109.02850	3.5
109.10137	7.3
111.08098	1.0
119.08556	4.8
121.09302	1.4
121.10124	18.6
122.06821	0.8
122.10329	0.9
123.08075	1.5
123.11707	1.3
127.03886	7.5
130.04964	0.9
131.08583	0.8
133.10069	4.9
135.11671	9.3
137.09558	1.0
140.10667	0.9
145.04915	4.1
147.02840	0.8
147.11714	3.6
149.13231	4.6
157.62411	0.7
159.02855	2.7
165.09026	1.5
175.14821	6.0
177.16362	100.0
178.16684	1.7
193.10605	0.9
193.12129	3.9
193.15855	4.0
211.13260	2.1
211.16890	1.3
216.04027	1.2
229.17967	3.1
231.04865	1.7
316.35883	0.9
351.76151	0.8
440.29895	1.3
458.30911	0.9
476.30200	2.0
477.11273	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.9
53.45881	0.8
55.01855	1.2
55.05494	3.6
57.03430	7.8
57.07043	1.3
61.02911	2.2
65.81217	0.8
67.05485	3.9
69.03421	15.0
69.07051	4.0
69.94817	5.0
70.06593	6.9
71.04964	1.7
72.08133	2.9
73.02901	8.7
79.05482	18.1
81.03397	6.3
81.07037	11.5
83.04936	2.2
83.08585	2.0
84.04501	2.7
84.08121	2.5
85.02416	1.8
85.02896	24.8
85.06515	4.7
86.06049	2.0
86.09682	4.8
87.00798	1.8
87.04457	9.6
91.05476	9.5
93.07034	8.9
95.04959	2.0
95.08598	6.3
97.02878	17.8
97.06504	4.8
99.04437	2.8
99.08077	1.4
100.11237	2.8
103.03937	1.7
104.07091	5.1
105.01833	3.5
105.07030	18.0
107.04951	1.5
107.08579	8.4
109.02859	4.2
109.06513	10.1
109.10131	1.1
111.04433	1.3
115.03915	18.9
117.06989	1.2
119.07779	1.4
119.08574	18.3
120.08134	2.1
121.06526	1.4
121.10145	2.2
124.05199	2.5
125.05976	8.5
127.03913	10.3
128.10666	1.5
129.06984	1.7
131.08528	2.2
133.04953	17.8
133.06474	6.2
133.10106	19.0
135.08015	1.4
135.11670	10.4
137.05931	9.3
137.09624	1.0
145.04950	6.7
147.08034	2.0
147.10623	1.4
147.11684	16.7
148.06026	2.7
149.05992	1.4
149.13283	1.2
150.07613	2.7
151.07533	4.1
157.10075	3.5
159.02954	1.1
163.05997	2.9
165.09071	12.5
165.12779	1.4
166.39630	0.8
174.36098	0.8
175.11162	18.7
175.14787	26.6
180.08812	0.9
188.39458	0.8
189.08989	1.2
193.12219	100.0
194.12520	1.3
210.15265	1.4
211.13255	32.3
213.03949	1.2
215.13980	1.1
223.06056	1.1
229.61285	1.0
241.07140	1.1
259.07993	1.0
272.04761	0.9
280.81815	1.1
282.14526	0.9
301.17950	2.9
423.16217	1.5
441.17261	1.9
476.22562	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2685
Annotation	Unknow
Peak:m/z	Relative Intensity
54.77814	1.2
55.01863	15.4
55.05500	19.9
55.91499	0.9
57.07063	7.8
60.92730	1.1
67.05495	12.7
67.81571	1.0
69.07056	22.8
70.06554	1.1
71.08611	1.3
71.63891	1.4
79.05467	6.7
80.93211	1.0
81.07040	11.0
83.08606	17.3
85.06513	1.0
85.10163	1.5
85.31738	1.1
87.02684	1.7
87.04445	1.7
90.95391	1.0
91.05452	7.6
93.07040	5.9
95.08587	8.2
97.06509	4.0
97.10154	10.2
105.07018	1.7
107.08570	4.4
109.10127	4.2
111.11703	3.2
113.09624	1.2
115.05394	5.6
117.06994	6.0
119.08549	2.9
121.06488	2.5
121.08861	2.3
121.10123	6.5
122.68365	1.1
129.06979	3.6
131.08562	1.7
132.05717	2.0
133.03165	3.9
133.06511	1.8
134.09659	1.8
135.08026	2.1
135.11665	3.9
143.04898	1.7
145.06439	9.8
147.08038	10.1
149.13229	1.2
151.07578	1.2
161.06024	1.4
163.07515	18.2
164.04799	1.1
171.04384	3.0
173.02272	1.9
173.05911	10.3
173.07062	1.0
175.07541	8.7
177.05441	6.6
188.04602	1.3
189.05412	5.4
190.06207	1.4
191.06979	10.0
191.17856	1.3
201.05515	2.5
203.06999	49.4
205.08640	5.0
209.18976	22.6
216.04285	1.4
221.08055	6.5
231.06488	66.6
232.06879	1.4
249.07541	100.0
250.08035	1.9
251.04652	2.5
267.08536	6.0
290.10168	2.9
307.11093	1.4
310.37256	1.0
344.32999	3.7
363.17038	3.8
388.17126	1.6
388.39081	2.0
389.17517	4.5
389.39471	3.6
390.18140	1.7
403.19165	3.2
403.73734	1.2
404.19772	3.9
417.16837	2.8
419.22269	10.0
420.22702	1.2
430.43967	4.6
431.18466	3.1
431.44363	5.4
432.18878	4.2
446.20343	4.5
447.21417	8.9
460.18295	1.9
474.47101	16.5
475.20978	70.1
475.26901	40.8
475.40543	1.8
475.47650	27.2
476.21542	6.1
476.27795	2.0
476.35458	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	475.2168
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90890	0.2
53.03924	0.8
55.01846	0.9
55.05487	0.9
56.22602	0.2
56.71033	0.2
57.03413	0.8
61.02911	0.9
67.05489	0.7
68.99764	0.5
69.03419	4.4
69.07043	0.8
70.06577	1.5
70.41338	0.6
70.41699	0.5
71.04982	2.5
72.08136	0.8
73.02895	0.8
79.05477	0.9
81.03397	2.9
81.07027	1.3
83.04933	0.4
83.08591	0.7
84.04464	0.4
84.08125	0.6
85.02889	8.5
85.06521	0.8
86.06033	0.5
86.09689	1.1
87.00813	2.8
87.04475	0.4
91.05455	1.2
93.07022	2.7
95.04951	0.9
95.08583	1.2
97.02879	2.6
97.06499	1.4
99.04437	8.1
99.08057	0.3
103.03946	0.3
103.05461	0.4
104.07085	0.3
105.01841	2.3
105.07014	2.4
107.04946	0.3
107.08567	3.3
109.02868	2.8
109.06501	2.2
109.10131	1.3
113.09621	0.5
115.03899	0.3
115.07513	0.3
116.06187	0.2
117.01824	0.4
119.08560	1.1
120.08102	0.6
121.06479	0.4
121.10128	4.6
123.08037	2.3
123.11674	1.0
125.09604	0.6
127.03902	4.8
129.01767	0.3
129.10242	0.5
131.08536	0.9
133.10085	2.5
135.08000	1.1
135.11671	0.5
137.06039	0.4
137.09605	1.7
139.11122	0.5
145.04945	2.0
145.10085	0.9
146.10461	0.4
147.11641	0.8
149.09590	100.0
150.09969	0.9
151.01131	0.3
151.11160	1.5
153.09071	0.6
159.02850	1.6
163.11098	0.5
163.14818	0.6
167.10724	0.4
169.08607	0.8
169.12236	2.0
173.13219	1.8
175.61328	0.3
177.05508	0.3
183.13750	1.6
191.10599	0.6
191.14268	8.7
209.15324	17.9
227.12732	0.9
227.16382	9.8
231.04967	0.6
278.11179	0.3
295.11737	0.6
296.12027	0.6
315.87366	0.3
376.32251	0.3
389.11212	0.4
475.21854	0.4
475.32779	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2168
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.0
55.01862	2.5
55.05506	3.3
57.03415	1.8
57.07056	1.8
57.16895	0.9
59.04962	1.0
61.02901	1.7
67.05485	4.1
68.99781	1.4
69.03423	7.4
69.07050	5.5
70.06580	1.4
70.58884	4.0
71.04996	4.2
72.08164	1.2
73.02912	1.1
73.27999	0.9
79.05476	5.2
81.03402	5.1
81.07043	12.3
83.04961	4.2
83.08597	3.9
85.02895	14.2
85.06544	5.3
86.09699	4.6
87.00828	5.8
91.05477	5.9
93.07028	13.6
93.65236	1.1
95.04957	3.5
95.08586	17.6
97.02839	5.0
97.06512	3.5
97.10162	1.4
99.04425	8.2
99.08073	14.4
101.49230	0.9
105.01854	4.7
105.07005	8.1
107.04946	5.8
107.08576	30.5
109.02889	5.5
109.06517	7.8
109.10143	8.9
111.08067	3.7
117.06976	2.3
119.08560	5.0
121.06484	14.5
121.10120	26.0
123.08058	12.6
123.11691	2.6
125.05956	2.8
125.09608	6.5
127.03900	8.2
131.08556	9.9
133.10107	14.7
135.08022	11.9
135.11665	3.4
137.05994	0.9
137.09575	5.2
139.07549	1.8
139.11133	3.1
144.92432	0.9
145.04913	1.9
145.10078	2.7
147.11673	5.0
149.09593	52.6
149.13237	14.9
151.11153	15.1
153.09047	5.4
158.10869	1.6
159.02837	2.2
163.14795	23.4
169.91486	0.9
173.13232	17.5
177.05418	1.1
183.13800	1.6
191.14279	55.5
192.14749	1.3
209.15332	100.0
210.15785	1.5
213.03822	1.1
227.16386	8.7
231.05006	1.5
238.32272	0.9
275.16351	1.1
464.75055	1.2
475.21884	4.3
475.32449	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	475.2166
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	1.0
51.75591	0.9
52.98454	0.9
55.01856	2.3
55.05498	6.4
57.03461	0.9
57.07059	1.8
61.02903	0.9
67.05491	3.7
69.03418	8.1
69.07057	5.5
70.06577	3.0
71.04960	2.6
71.07609	2.3
72.08125	1.9
79.05495	5.1
81.03397	3.0
81.07041	16.6
82.06573	0.9
83.04960	3.7
83.08587	2.4
84.04493	1.3
84.08128	1.5
85.02904	8.4
85.06516	4.3
86.09671	3.7
87.00803	3.0
91.05445	4.8
93.07029	18.9
95.04926	2.5
95.08589	13.6
97.02877	2.4
97.06512	7.6
97.10170	1.0
99.04427	2.1
99.08084	4.8
105.01894	1.9
105.07008	11.3
107.08579	46.0
109.02859	2.9
109.06492	8.8
109.10139	12.5
110.21474	1.0
111.08069	2.6
113.99144	0.9
117.07045	1.1
117.13703	1.1
119.08556	11.8
119.47925	0.9
121.06495	5.4
121.10121	25.3
123.08051	11.2
123.11665	1.4
125.09618	3.3
127.03922	4.7
127.04691	0.9
131.08566	10.6
133.10117	23.8
135.08032	8.1
135.11629	4.9
137.09570	6.3
139.07471	1.6
139.11145	10.2
145.04951	1.9
145.10110	4.4
147.11682	8.3
149.09602	9.3
149.13242	28.0
151.11154	13.6
153.09094	2.2
156.63618	1.0
158.10785	2.4
159.02882	1.5
161.13257	4.2
163.11214	1.5
163.14813	15.0
165.12701	1.5
167.10707	3.1
169.12286	1.3
173.13246	25.1
175.91081	1.0
179.14273	4.3
187.10780	2.4
191.14275	51.5
192.14540	1.4
209.15332	34.8
209.17351	1.7
227.16382	100.0
243.13432	1.5
257.99927	1.1
475.15506	3.5
475.21686	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	475.2168
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.2
53.69860	0.8
55.01857	2.8
55.05490	3.4
57.03428	2.5
61.02906	1.9
67.05489	4.4
68.99768	1.0
69.03421	18.0
69.07063	4.4
69.29111	3.3
69.29533	7.3
70.06573	3.5
71.04976	3.4
72.05289	1.0
73.02898	1.8
79.05469	5.2
81.03402	12.5
81.07057	9.1
83.04955	2.9
83.08600	1.2
85.02894	28.3
85.06526	3.9
86.09695	5.1
87.00816	14.3
89.98498	1.1
91.05458	3.8
93.07028	11.4
95.04956	2.1
95.08601	8.3
97.02884	12.8
97.06520	100.0
99.04439	7.9
99.08073	2.4
105.01855	15.0
105.07000	7.2
107.04928	1.2
107.08584	29.5
109.02869	15.6
109.06500	12.0
109.10146	10.0
111.08050	3.0
113.09631	1.1
117.03351	2.4
119.08528	5.4
120.08122	1.8
121.06478	3.4
121.10130	13.8
123.08078	3.1
123.11689	2.6
125.09601	1.8
127.03902	29.1
127.68861	0.9
129.01810	1.5
131.08537	6.0
133.10126	13.5
135.08020	4.9
137.09602	2.8
139.07552	1.5
139.11171	3.5
144.27182	1.0
145.02831	9.8
145.04938	6.3
145.06406	4.1
145.10075	2.0
147.02962	1.0
147.11635	5.1
149.05960	1.3
149.09628	4.8
149.13242	20.7
151.07529	1.2
151.11171	9.0
153.09071	3.1
159.02863	3.0
161.13213	2.3
163.11209	1.7
163.14821	6.9
165.12749	1.4
167.10649	3.0
167.28175	0.9
169.12239	10.9
173.13271	10.6
177.05449	17.4
179.14236	2.2
191.14282	21.8
197.45540	0.8
209.15350	24.8
213.03925	4.3
227.16389	41.3
231.05000	5.7
249.06136	1.2
277.08691	0.9
313.10757	4.2
338.00107	0.9
367.93607	0.9
439.19733	2.6
457.20636	5.5
458.33316	0.9
475.21320	2.7
475.32520	44.7
485.04388	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2167
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11866	1.8
53.03933	2.5
54.78391	2.0
55.01855	3.5
55.05492	3.6
56.04997	2.4
57.03414	3.9
57.07063	1.9
67.05482	5.3
69.03412	17.5
69.07033	5.8
70.06594	13.0
71.04973	4.3
71.57510	3.9
72.08128	4.8
73.02885	2.1
79.05466	6.0
81.03406	12.2
81.07030	9.0
83.04956	5.0
83.08606	4.5
83.82733	1.9
84.04477	5.7
84.08114	8.1
85.02892	31.3
86.09686	6.9
87.00813	12.5
89.04102	1.9
90.79629	2.0
91.05457	6.4
93.07024	7.8
95.04969	3.6
95.08594	13.7
97.02874	12.3
97.06487	5.7
99.04435	5.9
105.01849	10.6
105.06974	4.4
107.08582	23.9
109.02855	10.4
109.06491	2.8
109.10142	18.3
111.08061	6.8
119.08543	3.7
120.08091	4.9
121.06470	4.2
121.10098	14.9
123.11677	5.4
125.05961	7.1
125.08739	3.1
125.09608	42.6
127.03905	25.4
129.10184	3.6
131.08516	4.2
133.10143	12.0
135.08029	8.2
135.11658	5.4
137.09549	2.1
139.07463	3.6
145.04903	7.5
145.10071	4.4
147.11613	2.6
149.09557	4.9
149.13188	6.3
149.18527	2.1
151.11169	20.0
153.09070	57.4
159.02823	2.9
163.14763	10.9
165.09062	4.3
165.12769	3.4
173.13216	12.9
177.08968	2.1
181.15860	2.2
181.39351	2.1
191.14268	37.3
206.90375	2.1
209.15326	100.0
210.15546	1.9
210.86214	2.1
213.03610	2.1
221.17886	1.9
227.16360	44.9
231.04967	2.2
310.05902	2.4
313.10370	6.1
475.15662	33.5
475.32913	3.0
476.15863	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	474.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	0.4
56.96563	0.5
57.03421	0.7
61.02905	0.6
69.03410	1.5
70.49501	1.2
73.02900	0.8
74.09661	0.4
84.08127	0.8
85.02896	5.6
86.09688	100.0
87.10037	0.5
97.02870	2.6
98.97540	0.4
99.04436	0.6
109.02947	0.4
127.03902	3.2
129.10207	0.4
132.10178	94.5
133.10526	0.5
136.06175	0.9
145.04909	3.0
152.05637	2.0
161.02861	0.5
163.02660	0.5
163.05997	0.8
169.03488	0.3
185.03041	0.4
185.53645	0.3
245.05032	0.6
246.05202	0.7
247.04747	0.7
263.06039	0.3
264.57709	0.9
272.06458	0.6
273.58209	1.1
274.08249	0.5
281.07010	1.5
334.69571	0.3
365.09155	0.5
474.25589	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.3778
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	1.3
57.03435	4.0
57.07068	7.4
58.06589	25.0
59.07365	7.8
60.08158	8.2
60.37832	0.6
67.05495	3.0
69.07041	1.1
71.08629	4.8
71.58083	0.9
73.02883	0.8
75.04456	2.5
76.67926	0.6
81.06568	0.6
81.07039	2.2
83.08604	2.0
84.04470	1.2
84.08128	0.9
85.02902	3.7
85.10170	2.1
87.04452	4.3
91.05443	0.7
93.07037	0.7
95.08609	3.0
97.10157	0.8
102.05521	1.6
109.10126	1.7
111.68721	0.7
118.06536	1.2
119.08580	0.7
120.08086	1.0
129.05537	0.6
130.04956	4.5
131.07042	1.1
132.08049	0.8
134.65750	0.6
144.10167	7.7
146.09604	1.5
162.11290	1.5
205.12302	0.8
218.13870	0.6
236.14890	71.9
237.15161	1.5
256.26321	1.4
274.27448	1.0
287.58237	0.6
313.27310	1.4
344.33093	3.9
345.33420	13.3
388.35818	1.0
412.37735	1.1
456.36838	18.0
457.35867	1.4
474.37842	100.0
475.38586	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	474.468
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07063	0.1
67.05476	0.1
70.02153	0.1
70.28527	0.3
70.28917	0.3
81.07038	0.1
87.04454	0.9
88.04802	0.2
91.05468	0.2
93.07053	0.1
95.08598	0.2
103.03935	0.2
105.06997	0.2
107.07313	0.2
118.06504	0.6
119.06853	0.3
120.08102	1.0
121.08867	2.7
131.03380	0.8
132.08041	0.3
134.09633	3.0
135.10442	1.0
146.09598	0.7
147.07999	0.2
147.10027	0.4
148.11203	1.4
149.11916	0.2
162.12788	0.4
165.11476	0.2
176.14284	0.7
182.02939	0.2
188.07045	0.8
190.15872	0.4
202.08627	0.7
203.09377	0.2
204.17493	0.4
216.08083	0.2
216.10094	1.0
218.18997	0.6
219.19785	0.3
220.20499	0.2
230.11591	0.1
232.20560	3.3
233.21298	0.3
234.07726	0.2
246.22160	3.8
249.07538	0.4
260.23642	0.7
262.21576	0.3
273.11908	0.1
274.25208	1.0
276.23172	1.2
277.67325	0.1
288.26810	0.5
290.24789	1.4
302.28381	0.7
304.26434	0.2
304.29684	0.2
316.29980	0.4
318.27957	0.2
318.31473	0.3
330.31525	0.4
332.29346	0.2
332.33075	0.4
344.33041	2.9
344.36984	0.2
345.33023	0.2
346.30829	0.2
358.34680	0.4
360.32501	0.2
370.34952	0.2
386.37671	0.3
387.38046	0.9
388.38773	3.0
414.33643	5.7
415.34103	0.8
430.44037	18.4
431.44473	0.9
456.45453	0.3
474.35516	3.7
474.46838	100.0
475.36865	0.7
475.47168	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	474.1723
Annotation	Unknow
Peak:m/z	Relative Intensity
60.32188	0.7
62.06074	0.7
63.25108	0.6
69.92768	0.7
70.06568	2.6
71.62373	1.1
72.08131	1.6
76.64307	0.7
84.08101	1.4
86.09694	11.8
87.05576	1.2
111.05549	3.7
120.04442	2.7
123.05549	1.3
126.06579	1.8
132.04427	24.2
134.06003	4.5
135.04440	0.8
137.04639	1.3
137.09631	0.8
140.08266	0.7
151.06126	9.7
164.53986	0.8
169.80388	0.6
189.04962	1.2
194.06723	3.6
195.07530	1.3
195.13219	0.6
199.18068	1.5
202.09708	1.6
216.11295	1.1
227.09415	0.7
227.17546	1.0
231.06108	0.9
241.56117	0.9
242.09175	4.5
248.08717	2.9
257.10303	5.8
259.11899	10.3
284.11212	3.5
302.12430	17.8
327.12122	2.6
345.13010	100.0
346.13293	3.0
456.16119	1.8
474.17175	16.9
474.25150	0.8
475.17520	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.1961
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20731	1.8
53.49321	1.8
55.05505	3.2
67.05470	3.3
69.03406	6.0
69.66415	12.0
70.06576	10.9
70.16865	1.9
71.04959	1.9
71.70374	2.1
72.08122	5.6
79.05467	4.2
79.91595	2.1
81.03445	3.8
81.07024	2.9
84.08105	8.0
85.02895	17.3
86.06034	8.7
86.09677	9.4
87.04442	5.9
87.10028	2.3
89.39362	2.4
91.05456	5.4
93.06978	2.3
95.08578	3.0
97.02852	6.2
98.20786	3.8
99.04424	4.7
104.07063	7.1
105.07005	9.2
107.04873	2.3
107.08576	2.3
109.02855	2.4
116.10700	9.5
121.10126	3.5
123.08096	2.4
124.15150	2.4
127.03895	5.8
129.10164	2.6
133.06448	5.2
135.04402	2.7
135.11751	2.7
136.03967	3.1
137.05853	2.6
145.04880	2.7
145.06511	3.3
145.10129	4.9
147.04385	5.8
147.08058	2.0
148.74896	2.0
149.07362	3.4
151.07535	20.9
167.62032	1.8
173.05959	4.2
175.07460	6.3
189.05487	2.9
191.06964	3.2
191.10669	7.2
201.05467	7.2
207.06514	8.8
208.14117	3.9
209.11673	19.2
213.09113	3.3
219.06494	33.6
228.07736	3.7
230.17447	5.1
231.10129	3.4
241.08566	10.9
259.09631	20.3
277.10645	20.9
288.14102	4.9
291.12177	1.9
295.11713	100.0
342.22595	4.7
360.23779	13.2
411.16849	4.4
474.16074	5.5
474.30865	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	474.2125
Annotation	Fiscalin A
Peak:m/z	Relative Intensity
50.14053	0.2
53.03939	0.4
55.01865	0.5
56.05024	0.4
57.03422	0.3
60.04523	0.4
67.05497	0.6
68.05011	0.3
68.84181	0.3
69.03416	1.5
69.07056	0.3
69.48789	2.2
69.49191	0.6
70.06586	5.7
71.04971	1.0
72.08133	0.8
73.02903	0.3
74.06071	0.5
78.03784	0.4
79.05475	0.5
80.05036	0.3
81.03414	1.3
81.07040	1.5
82.06560	0.4
83.04938	0.3
84.04515	0.6
84.08141	1.3
85.02895	2.4
85.06493	0.3
86.09698	4.0
87.05633	0.3
87.10022	0.4
91.05474	1.0
93.07025	0.8
95.04968	0.3
95.08595	2.5
96.08127	0.5
97.02884	0.8
99.04453	0.5
102.03738	0.8
103.05489	0.4
105.07008	0.7
106.06540	0.3
107.04942	0.4
107.08605	0.6
109.02859	0.7
117.07001	0.4
119.08552	0.7
120.08111	1.3
121.06471	0.3
123.03554	0.4
123.04420	7.1
123.08017	0.4
127.03873	1.2
131.04912	0.4
131.08495	0.4
133.08867	1.1
133.10118	0.3
134.09621	2.9
135.10406	0.5
137.13249	0.5
141.07005	0.3
143.08466	0.3
145.06577	0.4
145.10056	0.5
146.09627	2.2
147.04372	0.4
147.10391	0.9
147.11487	0.3
148.11188	4.7
148.12276	0.4
148.96074	0.2
149.06062	0.5
149.07428	2.4
149.09631	0.3
150.07774	0.5
151.57199	0.3
155.08476	0.3
158.09694	0.6
159.10370	0.4
160.11205	6.3
161.06018	0.3
161.11987	2.1
162.12730	1.9
165.05563	0.4
169.40561	0.3
173.05980	0.6
174.12782	0.6
176.10686	0.8
177.05396	0.4
181.12207	0.4
182.12560	0.3
183.07996	0.5
187.07550	0.4
188.10703	0.9
190.12329	0.6
192.10211	1.1
194.11821	0.4
197.09534	0.3
201.09103	1.3
201.12257	0.4
206.11763	3.5
208.13181	1.5
225.09081	0.3
225.15063	0.5
226.15152	0.6
230.11374	0.6
234.11240	0.3
256.13303	1.1
261.12442	0.3
262.12827	0.4
268.13226	0.6
270.14835	1.4
277.14587	2.6
282.14838	1.6
284.16409	3.6
310.14532	0.4
312.15881	2.3
328.15442	2.9
330.17010	5.1
334.16656	0.4
338.16086	0.3
344.13474	0.3
350.15924	0.6
352.17630	0.4
370.16562	0.9
372.17798	0.4
398.19534	0.4
402.19189	0.5
409.18103	0.3
414.19009	0.9
429.64395	0.3
446.21561	0.4
456.20068	3.7
456.29498	0.3
472.19476	1.3
474.21152	100.0
475.15753	0.5
475.21527	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	473.2012
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17569	1.9
55.05495	3.2
57.07063	3.3
59.10446	1.9
60.09276	1.7
65.03920	2.6
67.05497	21.1
69.03413	5.1
70.06591	2.9
70.29144	8.2
71.05012	2.1
81.03417	4.2
81.07068	2.1
83.04969	2.3
85.02892	9.0
85.06530	12.3
86.09684	6.3
87.00819	6.5
91.05471	4.4
93.07062	9.5
95.04939	3.5
95.08597	100.0
96.01369	1.7
97.02879	3.4
105.01848	10.4
105.07022	4.7
107.08580	7.6
109.02853	2.8
109.06495	2.3
109.10174	3.2
113.05997	17.0
119.08582	19.1
121.10127	8.6
123.08050	31.6
127.03896	9.0
131.08537	2.3
135.11671	16.6
137.09601	4.6
145.04956	2.8
147.11676	7.0
149.07492	2.3
149.09602	31.8
151.07495	2.3
151.14835	3.8
161.13261	15.5
163.11171	8.1
165.12749	11.1
171.11630	2.1
174.10373	2.7
179.14313	4.9
189.12701	19.1
207.13777	89.6
251.40186	1.8
401.07187	2.1
448.03995	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.201
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	1.4
55.01858	1.5
55.05491	5.8
55.52853	0.8
57.03391	0.9
57.07069	4.1
58.65466	0.8
59.04982	1.5
67.05493	24.4
69.03406	6.2
69.07045	2.7
70.06584	6.8
70.77676	2.9
71.04972	2.8
72.07784	0.7
72.08130	4.8
79.05476	2.7
81.03387	2.3
81.07038	5.5
83.04951	1.8
84.04474	2.4
84.08118	3.8
85.02897	4.7
85.06528	12.3
86.09696	11.2
87.00816	1.9
91.05453	3.4
93.07022	9.2
95.05006	1.7
95.08591	100.0
96.08914	1.1
97.02866	3.0
99.04425	2.4
99.08070	1.0
103.05429	1.1
105.01812	1.0
105.07008	7.6
107.08572	11.1
109.02831	1.9
109.06483	3.4
109.10133	3.8
111.08040	1.4
113.05984	12.5
119.08555	19.5
120.08092	1.3
121.06443	2.4
121.10126	8.0
123.08046	39.3
123.11697	2.3
124.08333	0.9
127.03883	5.7
127.04739	1.0
129.10222	1.9
129.82648	0.8
130.05026	1.2
131.08540	3.1
133.06462	0.9
133.10094	3.9
135.08043	1.8
135.11667	17.0
136.07489	1.0
137.09576	4.0
137.13208	1.2
143.11757	1.1
145.04900	2.3
145.10077	2.5
147.07985	2.0
147.11671	7.3
149.07449	2.3
149.09593	30.0
151.07495	3.0
151.14793	4.2
159.11635	1.9
161.13220	14.8
163.11156	11.0
163.49004	0.9
165.09058	1.4
165.12721	8.4
169.08566	1.2
171.11627	3.1
174.10414	1.8
177.12772	1.1
178.91504	0.9
179.03415	2.6
179.14331	5.4
184.07274	1.0
188.30545	0.9
189.12715	16.0
195.02821	1.3
207.13766	83.6
208.14163	1.4
225.14789	3.8
231.04941	1.2
257.04648	1.4
261.14380	1.5
318.11499	1.0
325.05524	1.1
403.09174	1.0
473.19766	8.4
474.20483	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.4138
Annotation	Unknow
Peak:m/z	Relative Intensity
57.10044	0.2
69.50378	1.7
69.50778	0.3
70.51778	0.2
87.04453	9.8
98.20728	0.2
102.21751	0.2
104.24515	0.2
106.53601	0.2
107.07277	0.6
118.06518	7.0
120.08023	0.3
124.77114	0.2
130.06459	0.4
131.07217	0.3
132.08061	4.6
133.08882	0.9
134.74481	0.2
144.08040	0.6
146.09618	9.5
147.09781	0.2
150.37213	0.2
160.11218	1.8
165.20378	0.2
173.97334	0.2
174.12752	0.5
188.14246	0.8
202.15820	0.7
204.10156	0.5
216.17392	0.6
218.11699	1.0
225.55229	0.2
229.36249	0.2
230.18971	0.5
232.13261	1.0
232.20639	0.3
244.20555	0.5
246.14815	0.2
246.22118	0.6
258.22119	0.7
260.23633	0.3
272.23651	0.4
274.25247	0.2
288.26859	0.3
386.37729	39.9
387.38184	1.4
412.34961	0.2
446.98120	0.2
472.41409	100.0
473.41702	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	472.4503
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61327	0.2
55.05490	0.2
87.04451	7.2
91.05452	0.3
96.26109	0.3
107.07312	0.8
117.05714	0.3
118.06522	9.1
120.08107	0.6
129.07018	0.5
130.06517	0.9
131.07277	0.7
132.08061	5.8
133.08870	1.4
134.09663	0.7
144.08044	0.7
146.09615	13.7
148.11107	0.3
151.09831	0.5
158.09673	0.3
160.11160	2.0
162.09106	6.2
162.10454	0.4
163.09772	0.3
163.55333	0.3
174.09140	0.6
174.12793	1.0
176.10655	6.1
177.11472	0.8
188.14296	1.2
190.12222	10.8
191.12843	0.3
202.15819	0.9
204.10085	0.3
204.13771	2.3
216.17401	0.4
218.11697	0.5
218.15334	0.6
228.21140	0.3
229.29716	0.3
230.19005	0.8
232.13258	0.9
232.16876	0.9
232.20564	0.5
244.20534	0.6
246.18526	1.1
246.22177	0.6
258.22025	0.8
260.20114	0.5
260.23663	0.5
272.23645	0.9
274.21814	0.3
274.25293	0.5
286.25400	0.7
288.23203	0.3
288.26718	0.5
300.26791	0.4
302.24774	0.6
316.26428	0.8
330.27902	0.5
344.29428	0.5
358.34671	0.7
369.51569	0.3
386.37750	26.5
387.38107	2.6
398.19464	0.3
428.42462	9.1
429.42645	0.6
430.91574	0.3
454.44147	0.5
472.40491	22.4
472.44839	100.0
473.41061	2.6
473.45523	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	472.4143
Annotation	Unknow
Peak:m/z	Relative Intensity
54.25060	0.1
69.30452	1.8
87.04442	0.2
92.04044	0.1
96.07195	0.1
117.05692	0.2
132.08057	1.2
133.08827	0.4
144.08058	0.4
146.09602	1.9
147.83437	0.1
158.09601	0.3
159.10373	0.2
160.11182	0.7
172.11069	0.3
174.12827	0.4
179.09418	0.2
190.08588	4.4
202.08615	0.6
202.15974	0.2
203.09395	0.2
204.10156	4.5
205.10886	0.5
218.11719	7.0
218.13835	0.3
232.13254	1.6
246.14827	0.6
260.16412	0.5
272.23627	0.2
274.17941	0.6
286.25449	0.2
288.19531	0.4
316.22696	0.5
330.24286	0.4
344.25677	0.6
346.27328	0.2
358.27127	0.4
358.34677	0.3
372.36163	2.5
384.36496	0.2
386.37659	1.2
393.51437	0.2
400.39301	1.3
403.74542	0.2
426.40878	0.2
472.41373	100.0
473.41690	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	472.4141
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20884	0.2
60.53642	0.2
60.97477	0.2
61.69613	0.2
64.89886	0.2
69.59856	1.0
69.60281	0.8
87.04455	11.4
93.05794	0.3
107.07291	0.5
117.05740	0.3
118.06525	8.6
120.08055	0.4
129.99374	0.2
130.06474	0.6
131.07269	0.5
132.08072	4.7
133.08830	1.4
134.09674	0.3
144.08012	0.4
146.09625	8.6
160.11159	1.7
164.93422	0.2
174.12682	0.6
188.14255	0.8
202.15915	0.6
204.10123	1.0
216.17433	0.7
218.11723	0.5
230.18985	0.5
232.13330	1.0
244.20555	0.9
246.22069	0.7
258.22131	0.6
260.23657	0.7
272.23743	0.7
274.25143	0.3
288.26749	0.4
300.26740	0.3
305.30710	0.2
310.43417	0.3
355.06516	0.2
386.37738	43.7
387.38126	1.3
419.65237	0.2
472.41412	100.0
473.41751	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	472.4142
Annotation	Unknow
Peak:m/z	Relative Intensity
69.44167	1.2
87.04451	2.2
103.64726	0.1
118.06524	3.3
120.08080	0.1
129.06935	0.1
130.06473	0.2
131.07274	0.2
132.08072	2.0
133.08833	0.5
134.09576	0.2
144.08014	0.5
146.09621	4.0
158.09622	0.2
160.11140	1.0
162.09160	0.2
164.48010	0.2
172.11177	0.3
174.12785	0.3
176.10689	0.1
179.09315	0.2
188.14333	0.5
190.08598	6.7
190.12254	0.2
191.09160	0.2
202.08583	0.6
202.15956	0.3
203.09366	0.2
204.10165	3.3
205.10930	0.5
216.10152	0.2
216.17513	0.2
217.10905	0.2
218.11720	7.1
230.18994	0.3
232.13257	1.8
244.20639	0.3
246.14803	0.7
246.22153	0.1
258.22144	0.3
260.16345	0.7
260.23682	0.2
272.23779	0.3
274.18030	0.7
274.25278	0.2
285.23022	0.1
286.25223	0.2
288.19531	0.5
300.26712	0.2
302.20889	0.2
316.22498	0.4
316.26166	0.1
330.24353	0.7
344.25787	0.8
346.26999	0.3
358.27472	0.3
358.34570	0.6
372.36185	2.3
386.37723	8.5
387.38156	0.3
400.39310	1.6
426.40952	0.2
428.42365	0.3
472.41351	100.0
473.41736	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	472.4142
Annotation	Unknow
Peak:m/z	Relative Intensity
54.69815	0.1
55.05502	0.2
59.04976	0.7
69.62579	0.4
69.62989	1.0
73.06558	0.2
75.13589	0.2
90.45257	0.2
98.21375	0.3
107.07310	0.3
117.05806	0.2
118.06530	8.3
120.08064	0.3
130.06525	0.5
131.07280	0.3
132.07036	0.2
132.08064	4.3
133.08864	1.2
134.09631	0.3
144.08086	0.3
146.09631	9.1
147.10408	0.2
160.11209	1.6
174.12761	0.6
188.14397	0.8
199.70506	0.2
202.15909	0.6
216.17403	0.4
218.11665	0.9
218.19032	0.5
230.19029	0.7
232.13304	0.5
241.05101	0.2
244.20612	0.9
246.14879	1.2
246.22185	0.8
258.22128	0.6
260.16409	0.4
260.23746	0.3
267.69907	0.2
272.23666	0.5
274.25314	0.6
312.85501	0.2
322.05020	0.2
358.34625	0.6
372.36206	31.3
373.36624	0.9
386.37625	0.8
412.39490	0.2
472.41409	100.0
473.23032	0.5
473.41791	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	472.2173
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90706	0.4
52.99631	0.5
57.22998	0.5
59.04992	0.5
69.03397	1.3
69.47447	4.4
70.06577	1.3
71.86902	0.6
72.08109	0.7
84.08112	1.0
85.02892	0.9
86.09676	2.0
91.05463	1.0
105.06992	0.6
105.57121	0.5
117.06992	0.9
127.03874	0.8
129.10210	0.8
141.29961	0.6
143.11810	0.5
145.06427	1.2
147.07932	1.2
159.07991	1.5
161.05942	2.2
161.09581	1.6
163.07521	1.4
173.05916	4.4
175.07536	2.6
177.05377	0.8
177.08990	0.5
187.07532	7.0
189.09067	1.5
191.06972	3.5
197.09528	0.5
203.06992	10.3
203.08752	0.8
203.10638	1.4
203.14346	0.9
205.08575	8.7
209.08058	0.5
211.11168	0.9
215.06989	13.9
217.08577	1.9
221.08052	44.3
222.08313	0.6
228.15811	1.0
229.12183	3.5
231.10135	1.0
231.13773	3.6
233.08051	28.0
235.09604	1.5
239.10661	2.0
242.09296	1.1
242.68488	0.6
247.13281	1.5
257.11691	14.2
275.12726	48.5
276.13110	1.0
293.13776	100.0
294.14151	2.4
307.38095	0.5
384.66800	0.5
472.20990	0.7
472.28842	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.4142
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05563	0.4
59.05072	0.5
63.99323	0.2
69.07119	0.2
69.36505	0.9
69.36932	0.7
70.22364	0.1
82.12170	0.2
87.04556	0.7
87.38191	0.1
87.69230	0.1
91.05576	0.2
95.30578	0.1
98.34619	0.2
105.65497	0.2
106.06612	0.3
107.07451	0.5
117.05840	0.3
118.05759	0.3
118.06524	7.2
119.07402	0.2
120.08215	0.5
129.07010	0.2
130.06639	0.6
131.07368	0.3
132.08070	5.3
133.08859	1.1
134.09708	0.4
144.08101	0.4
146.09619	8.9
150.04941	0.2
160.11192	1.7
162.09233	0.5
174.12932	0.5
176.10776	0.4
188.14346	1.0
190.12308	0.5
191.19838	0.1
202.15906	0.7
216.17621	0.6
218.11873	0.6
218.19156	0.3
230.19170	0.4
232.13460	0.7
232.20737	0.2
244.20638	0.9
246.14864	1.4
246.20061	0.2
246.22015	0.9
258.22281	0.7
260.16348	0.4
260.23715	0.2
260.49487	0.2
272.23810	0.5
274.25391	0.4
286.25433	0.2
300.26794	0.2
303.75839	0.2
329.85059	0.2
350.10318	0.2
358.34662	2.6
372.36182	27.8
373.36639	0.8
386.37787	3.3
412.39734	0.4
428.42288	0.6
455.95313	0.2
472.41232	100.0
473.41681	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	472.1808
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	8.1
55.01656	0.9
55.01863	9.9
55.05483	1.3
57.03432	6.4
59.32877	0.9
59.33229	0.9
61.02914	6.4
67.05461	1.5
68.99757	3.8
69.03415	26.4
69.07038	1.1
70.06562	4.1
70.18311	1.8
70.18703	2.2
71.01285	1.1
71.04973	5.4
72.04491	1.3
73.02900	9.2
73.95869	0.9
79.05469	2.9
81.03403	30.2
81.07030	1.3
83.01301	1.1
83.04944	1.0
84.08122	2.5
85.02890	91.2
85.06521	2.4
86.09695	1.0
87.00282	2.0
87.00812	34.6
87.04441	1.0
90.79864	1.0
91.03922	2.9
91.05458	1.5
93.07030	1.1
95.04931	2.2
95.08635	0.9
96.08118	1.3
97.02873	53.5
97.06461	1.5
99.04431	16.8
101.02352	0.9
102.03770	1.3
105.01847	62.7
105.03364	20.4
105.07006	2.7
106.84834	1.0
107.08472	0.9
107.29500	0.8
108.04537	1.1
109.02109	1.8
109.02859	37.1
109.10098	1.0
111.04411	1.0
115.03860	1.7
117.01828	4.0
119.08532	1.2
120.08958	0.8
123.02851	1.2
123.04396	5.2
125.05846	1.1
127.03893	100.0
128.04169	1.4
129.01825	4.4
129.06966	1.7
131.06319	1.3
131.08571	1.2
137.05890	1.0
140.14363	1.1
141.01849	1.2
141.31392	0.9
145.04932	58.3
147.02846	2.8
147.07993	2.3
149.06332	1.1
149.07396	6.4
150.07707	2.9
159.02853	25.5
165.09044	1.9
175.07530	2.9
176.07858	3.4
177.03964	2.3
187.07526	4.0
189.03934	2.0
189.09099	5.9
193.08545	8.8
194.08980	7.2
205.73770	0.9
211.09599	3.2
213.03909	6.4
215.06979	8.0
231.04948	33.0
233.08029	4.4
249.06047	8.7
261.12592	1.3
262.12967	2.2
315.10626	4.2
321.24362	1.1
338.72668	1.0
342.15292	1.1
427.13806	12.0
473.14282	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3463
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	6.5
55.01851	3.7
55.05503	18.6
57.03407	11.8
57.07064	5.3
57.73585	3.1
61.02909	19.2
67.05490	58.3
69.03403	14.6
69.07053	29.8
70.06562	4.8
71.02630	5.8
71.02934	4.9
71.04960	7.1
71.60035	3.4
73.02906	8.9
79.05479	39.1
81.03394	10.1
81.06569	6.0
81.07040	86.8
83.08597	12.6
84.08130	6.3
85.02879	21.7
85.06534	6.8
91.03929	14.1
91.05454	43.0
93.07026	67.7
95.04923	6.9
95.08585	100.0
97.02863	12.4
97.06498	7.4
99.04419	5.0
99.08048	4.1
101.02353	6.8
103.03892	3.7
103.05421	4.0
105.07011	70.0
107.08566	68.9
109.06488	9.2
109.10136	60.5
111.08041	9.7
113.09637	7.4
117.06967	16.1
119.08553	71.6
121.06480	7.0
121.10131	35.4
123.08018	9.0
123.11708	18.4
125.05953	5.4
125.09562	5.6
127.03879	11.1
127.52577	3.9
129.06966	8.5
130.07753	3.7
131.08542	37.8
133.10103	53.5
135.08060	3.9
135.11687	26.0
137.09554	8.2
137.13278	4.8
143.08511	23.5
145.04886	4.4
145.10088	46.7
147.04379	13.2
147.07968	5.3
147.11653	47.8
149.09521	6.3
149.13208	9.2
155.08534	4.8
157.10089	26.9
159.11641	47.5
160.12465	4.1
161.09570	9.7
161.13239	26.5
163.11134	8.9
163.14796	5.8
167.10616	4.4
169.08612	3.8
169.10017	8.0
171.11725	17.5
173.13229	30.3
175.11205	4.0
175.14734	13.6
177.09190	4.8
177.12669	5.2
179.14188	4.5
183.11685	9.1
185.13199	13.4
187.11090	4.6
187.14824	15.7
189.12666	6.1
189.16246	6.6
191.10559	3.9
193.12329	5.0
197.13193	10.4
199.14783	11.9
201.12666	4.1
201.16251	17.7
203.17944	7.3
205.12202	3.7
205.15865	5.4
207.13736	8.2
211.14842	4.0
213.16336	7.4
215.14325	5.9
215.17870	14.4
217.12245	4.5
217.19510	9.1
219.13802	7.2
219.17389	6.8
221.15370	3.9
225.16438	4.3
227.17885	4.7
233.15341	11.7
233.18912	6.9
235.20517	5.7
247.17029	5.0
255.20950	3.5
267.21146	7.0
309.24222	23.6
327.23157	12.5
329.24649	4.0
345.24265	8.4
351.87729	3.9
361.24988	3.4
367.26459	4.8
398.93280	3.7
435.32446	21.9
453.33759	28.6
471.23169	8.1
471.28824	9.3
471.34567	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	471.2947
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	6.6
53.34186	1.8
55.01863	6.2
55.05503	27.0
55.43135	2.0
55.96671	2.2
57.03430	32.5
57.07059	9.2
61.02917	65.3
65.03931	2.8
66.36485	1.8
67.05497	75.5
68.84714	2.1
69.03420	30.9
69.06718	2.2
69.07057	27.4
71.01337	6.8
71.04984	6.6
71.08612	4.1
73.02912	25.3
75.04447	2.5
77.77644	2.0
79.05490	31.0
81.03419	23.9
81.07048	93.5
83.04974	6.4
83.08607	17.5
85.02897	67.5
85.06525	5.8
85.10197	2.6
91.03942	36.9
91.05463	31.9
93.07035	30.2
95.04961	5.6
95.08598	60.0
97.02880	53.9
97.06525	5.8
97.10165	7.4
99.04443	10.3
99.08079	8.8
101.02355	12.0
103.03935	7.9
105.07021	15.7
107.04979	2.3
107.08564	16.9
109.02871	8.1
109.06519	4.3
109.10143	23.2
111.04394	2.6
111.08051	4.3
111.11712	3.5
113.09626	4.2
115.03929	4.5
117.05476	2.7
117.07001	5.0
119.08567	17.4
121.10116	18.3
123.08087	2.7
123.11670	16.1
125.09610	2.8
127.03898	22.9
129.05458	6.8
131.08559	4.4
133.10138	18.5
135.08058	2.2
135.11661	17.4
137.09639	2.6
137.13246	4.6
139.11116	2.1
145.04939	14.4
145.10110	5.8
147.04326	2.3
147.11641	10.6
149.09537	2.6
149.13235	6.0
151.11096	4.2
151.14799	2.5
153.12630	3.6
157.10103	2.5
159.06570	3.6
159.10344	2.1
159.11665	4.9
161.09610	2.1
161.13226	9.9
163.14778	2.1
165.12741	2.4
165.35683	1.8
171.06511	3.3
171.11691	3.3
173.13347	2.4
175.14803	5.4
179.14310	2.3
183.06480	6.0
185.13248	2.7
201.07457	4.3
203.07013	4.3
215.18013	2.5
217.19482	22.6
231.06674	4.6
233.18903	2.8
235.20538	22.8
264.11456	2.3
289.21600	2.9
309.24182	100.0
323.10953	2.2
337.23557	4.1
343.22641	3.9
361.23560	2.1
417.26175	2.8
427.32254	2.1
435.27640	3.8
453.28415	8.9
454.99551	2.3
471.22827	3.7
471.29227	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	471.1855
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	1.8
55.05484	2.9
56.04996	1.2
57.03420	1.6
57.07057	1.1
58.08330	1.2
61.02910	2.3
67.05493	2.7
69.03421	10.0
69.07040	2.8
69.78517	3.2
69.78930	8.1
70.06236	2.1
70.06585	22.3
71.04960	4.6
72.08126	5.0
73.02907	1.9
77.42756	1.3
79.05470	1.6
80.54562	1.4
81.03384	4.3
81.07049	3.5
83.04973	1.7
83.08636	1.6
84.04489	4.0
84.08116	9.1
85.02898	13.6
85.06521	1.7
86.09686	14.7
87.04453	1.8
87.10004	1.7
90.15080	1.4
91.05458	4.7
93.07038	1.8
95.04948	1.2
95.08570	1.8
97.02868	6.3
99.04469	2.7
100.11234	10.6
104.10712	3.3
105.03387	1.3
105.07027	2.4
107.04919	3.0
109.02871	2.4
109.06542	2.0
110.07177	1.8
111.04450	1.2
112.48956	1.3
117.07005	1.8
119.04910	2.9
119.08593	2.3
120.08089	2.7
121.06490	2.8
127.03884	4.8
129.10178	4.0
133.06371	1.8
136.07533	1.3
137.05956	2.8
141.12727	1.4
143.04886	2.5
144.19946	1.4
145.02829	1.7
145.04913	2.4
145.06451	3.6
147.04396	12.7
149.06029	1.5
165.05508	2.6
165.06892	1.3
165.09164	1.6
171.04382	4.5
171.08020	1.6
173.06004	2.5
175.07483	2.9
177.05482	5.4
179.03372	1.7
182.15375	2.6
184.07372	3.1
185.09575	3.5
187.07536	1.9
189.05435	3.1
189.09076	8.6
191.06992	3.8
193.04930	36.9
201.05392	1.7
203.07007	26.6
209.16466	2.8
210.14915	4.2
213.09003	7.1
215.06995	5.7
216.04147	5.0
217.04884	1.5
217.08620	1.9
219.06528	14.1
219.10114	2.1
221.08022	2.2
223.13380	1.8
229.15498	4.7
231.06467	23.1
232.10944	1.5
233.07996	2.9
237.07568	40.9
241.08679	2.9
243.06534	2.0
245.11728	9.8
247.05980	1.6
247.09625	1.7
247.13268	5.1
249.07576	17.2
258.08792	5.3
273.11172	46.0
274.11371	1.8
285.11230	2.1
289.11014	1.9
291.12225	100.0
292.12329	2.3
309.13297	68.3
399.12857	10.4
453.17548	26.1
467.42831	1.5
471.18463	37.9
471.35385	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	471.1856
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	8.8
55.01862	13.7
55.05500	18.3
56.05027	3.6
57.03423	12.5
59.04983	3.0
60.04528	3.9
61.02909	9.4
67.05504	16.9
68.99774	11.6
69.03423	55.7
69.07056	7.1
69.84244	9.7
69.84650	8.0
70.06583	38.8
71.01356	3.6
71.04982	20.5
71.06916	4.1
72.08126	8.4
73.02911	9.8
79.05480	22.4
81.03406	40.6
81.07040	28.1
83.04966	38.6
84.04497	9.2
84.08131	19.8
85.02892	100.0
85.06535	12.7
86.04781	3.5
86.09702	23.9
87.00809	34.7
87.04459	5.0
91.05457	28.8
93.07047	31.7
95.04951	23.7
95.08582	16.1
97.02882	29.2
97.06523	29.1
99.04437	18.8
100.11250	4.5
103.03937	20.7
105.01855	28.1
105.07018	48.1
107.04953	11.6
107.08583	26.0
109.02877	31.9
109.06496	49.8
109.10126	11.1
110.07136	4.3
111.04420	11.8
111.08096	4.1
113.05990	3.2
115.03895	4.8
116.07087	3.7
117.06997	15.1
119.08562	34.0
120.08114	3.7
121.06506	14.5
121.10146	19.1
123.04394	4.6
123.08060	24.1
123.11713	6.2
125.05986	24.7
127.03051	5.4
127.03912	56.8
129.01825	8.2
129.05406	4.7
129.06964	7.4
129.10239	11.5
130.07771	6.8
131.04916	4.7
131.08548	17.5
133.06459	5.5
133.10106	27.9
135.08031	22.9
135.11655	9.8
136.07538	3.3
137.05965	13.6
137.09586	10.0
139.07486	4.6
142.07695	4.2
143.08536	6.9
145.04962	17.1
145.06435	8.2
145.10097	31.3
147.02847	6.8
147.08011	36.6
149.05963	11.2
149.09598	11.8
151.07513	4.0
151.11179	11.6
153.09128	6.7
157.10095	7.9
159.02907	7.8
159.08052	9.6
159.11684	29.1
159.13765	8.2
161.09578	22.2
161.41888	2.9
163.07501	6.3
163.11176	24.1
163.29539	2.7
165.09079	25.1
167.06982	14.8
169.08553	15.3
169.12234	12.9
171.02911	6.5
172.08763	5.2
173.09608	8.9
175.11157	13.4
176.60570	3.3
177.09062	8.6
177.12709	8.7
179.10716	5.4
183.10173	8.5
183.11610	3.4
184.85918	3.2
185.09544	3.9
187.11163	18.4
189.03905	25.5
189.09102	4.6
191.07016	3.9
191.10565	7.7
195.10182	12.5
199.11111	5.4
201.12633	3.4
203.10651	10.3
205.12215	79.4
209.07996	6.3
209.11719	4.4
210.14679	3.2
211.11128	4.1
217.12224	8.2
219.13742	5.7
221.11667	9.0
223.13286	48.9
227.10431	7.7
229.12257	4.2
231.05002	14.0
231.09898	3.8
233.11722	4.3
235.13184	3.1
245.11606	10.3
247.09634	3.2
247.13278	18.9
253.12213	4.2
259.13116	3.5
265.14529	4.8
271.13348	6.9
291.12656	3.4
292.10947	3.6
307.15369	3.5
313.11392	3.9
313.14380	8.4
331.15540	6.7
349.16367	10.4
367.17538	16.5
385.18689	6.5
391.17645	8.1
409.18384	14.3
429.19858	4.1
435.16647	17.4
453.17844	15.8
471.18655	41.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.238
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.4
67.14160	0.3
69.03418	0.9
70.06586	4.1
71.04985	1.4
71.31543	0.9
79.23311	0.3
82.06561	4.3
84.08131	69.0
85.02892	0.9
85.08440	0.7
93.17593	0.4
93.83376	0.3
98.09684	1.5
100.07610	5.8
107.04941	11.3
108.05255	0.4
121.06514	0.4
123.04411	0.5
124.04798	0.4
126.09137	100.0
126.23443	0.3
127.09509	0.8
128.10727	1.1
140.74367	0.3
144.10179	35.6
170.80293	0.4
246.14857	5.2
246.17239	0.4
290.17404	0.7
308.18283	0.4
355.37320	0.4
403.72122	0.4
408.20108	41.9
409.20401	1.2
452.22736	40.6
453.22989	1.1
470.23743	24.3
471.24228	0.8
471.75064	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1857
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01835	0.7
57.03392	1.5
59.04966	0.7
61.02869	1.5
69.03416	5.3
69.07027	0.9
70.06583	3.0
70.25103	1.6
71.04956	1.1
72.08100	1.3
73.02871	0.7
79.05430	0.5
81.03364	1.7
81.07004	0.6
84.04439	0.5
84.08087	1.5
84.53385	0.5
85.02895	11.2
85.09850	0.5
86.09635	1.7
87.04420	0.8
89.36201	0.5
91.05423	1.2
93.06997	1.2
97.02873	3.8
98.21421	0.6
99.04416	1.0
100.11211	1.8
105.07027	0.8
109.02809	1.2
115.05412	0.9
117.06999	1.2
119.04887	1.6
119.08528	0.6
121.02808	1.0
121.06441	1.5
121.15561	0.5
125.40352	0.5
127.03876	2.6
129.06981	0.9
129.10196	1.5
131.04875	1.2
131.08516	0.6
133.06421	0.6
137.05925	1.1
142.07742	1.2
143.04887	3.4
143.08562	1.1
145.04988	0.6
145.05278	0.7
145.06448	6.1
147.04395	13.0
147.08011	0.8
157.10086	1.0
159.08011	1.6
161.05951	2.0
163.07481	1.4
167.08498	0.6
170.07329	0.6
171.04391	7.1
173.05946	2.7
174.06703	0.6
175.07512	2.7
177.05412	1.9
185.09567	3.3
187.07535	3.1
187.11145	1.5
188.04591	2.3
189.05473	2.7
189.09084	10.3
190.02551	0.6
191.06984	4.0
191.10612	0.6
193.04993	1.0
195.08015	1.0
198.06670	1.2
201.05389	1.7
203.03574	0.5
203.06989	11.4
204.04028	0.6
204.07756	0.8
205.04930	0.7
210.14874	0.7
212.08406	0.7
213.09093	8.6
214.09314	0.6
215.07011	4.6
215.10559	1.6
216.04153	4.5
217.04904	1.0
217.08571	2.4
217.12262	0.6
219.06514	12.0
219.10017	3.5
221.04364	2.0
221.08040	1.9
222.05089	1.1
223.05817	0.9
227.10603	1.6
230.09325	1.5
231.06488	22.9
231.10132	1.6
232.10844	1.5
233.02750	0.6
233.08037	2.4
234.05286	0.7
237.07535	20.0
241.08582	5.6
243.06529	5.5
245.08000	1.1
245.11725	7.4
247.09546	1.1
247.13220	4.2
249.07564	23.3
251.09109	1.0
255.10110	0.6
257.08182	0.7
258.08902	6.3
258.70920	0.6
259.09607	0.7
263.09076	1.2
263.12671	0.9
273.11172	47.8
274.11475	1.2
285.11191	0.7
291.12222	100.0
292.12607	1.6
303.12234	0.7
309.13293	24.8
399.12808	8.1
411.18536	0.7
435.16449	0.7
453.17480	29.2
454.18616	0.8
471.18588	35.4
471.35257	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	470.1649
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05486	0.8
53.03937	5.6
55.01865	4.8
55.06953	0.8
57.03424	3.2
61.02918	3.6
64.74986	0.8
68.99787	2.8
69.03420	16.1
69.51569	1.9
69.51991	6.8
71.04988	1.8
73.02922	5.4
79.41824	0.7
81.03411	18.4
85.02897	44.1
87.00819	19.4
91.03977	1.1
93.78725	0.8
97.02876	22.4
99.04453	8.2
105.01849	22.7
107.04893	1.2
109.02113	1.2
109.02868	21.1
115.05473	1.5
117.01855	2.5
127.03908	37.3
129.01836	2.8
131.08571	3.5
139.62173	0.9
141.06993	2.3
141.20195	0.9
144.05707	1.3
145.04941	25.6
147.02875	2.1
159.02882	11.6
159.08046	2.3
169.06456	5.2
187.07535	19.5
205.08582	100.0
206.08908	1.5
213.03946	3.6
231.04970	8.8
330.34967	1.0
484.72754	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.2537
Annotation	Unknow
Peak:m/z	Relative Intensity
54.87218	0.2
55.05488	0.5
56.05017	0.6
58.06588	3.7
65.16887	0.2
69.03401	0.3
70.06579	1.8
71.14811	0.5
82.06548	0.3
84.08128	100.0
85.02882	0.5
85.08454	1.0
96.08118	2.2
97.02845	0.3
98.09666	0.4
110.09671	0.9
116.69164	0.2
123.04404	3.7
126.09157	0.9
127.12292	23.4
128.12621	0.3
136.06200	0.7
172.67448	0.2
190.63879	0.2
203.99809	0.2
248.99445	0.4
262.14252	0.3
267.00562	0.4
268.10318	0.2
282.58493	0.3
289.19125	0.3
290.17480	0.9
297.07541	0.2
306.78012	0.3
307.20303	0.3
382.18762	0.6
391.38086	0.2
451.24313	15.2
452.22964	1.1
469.25433	24.9
470.25464	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.2792
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	12.5
53.63308	7.3
55.01848	10.3
55.05502	24.2
57.03422	31.6
61.02922	78.9
64.77745	6.5
67.05499	82.4
69.03419	37.3
69.07066	13.8
69.43138	72.2
71.05003	10.7
73.02899	31.7
76.28918	7.9
77.53956	6.4
79.05483	100.0
80.13245	7.2
81.03403	25.7
81.07052	89.7
83.04993	10.0
83.08576	16.0
84.08135	48.6
85.02901	77.2
85.06515	8.2
86.09718	8.3
91.03923	45.8
91.05476	48.8
93.07034	77.8
95.04961	15.8
95.08592	62.5
97.02873	51.3
99.04439	16.9
101.02360	13.7
104.87183	6.7
105.07057	36.9
107.04952	8.7
107.08600	38.6
109.02828	13.3
109.10149	30.3
117.07022	16.5
119.08562	21.8
121.06454	9.5
121.10136	52.0
123.08043	10.4
123.11712	19.6
127.03938	20.8
129.05490	9.9
131.08571	26.2
133.10124	29.1
135.11673	27.7
137.09657	8.3
145.04907	11.1
145.10121	23.2
147.11606	18.4
149.09625	9.3
149.13257	14.4
157.10100	9.2
159.11687	22.4
161.13284	13.0
173.13268	16.1
184.25343	7.0
203.10419	8.6
215.18010	20.4
233.18997	19.3
238.34842	6.8
307.22632	81.5
320.41599	7.8
460.97980	8.3
469.14481	24.8
469.27969	49.3
480.38953	7.8
489.65396	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	468.3079
Annotation	2-tetradecanoyl-sn-glycero-3-phosphocholine
Peak:m/z	Relative Intensity
54.08506	0.2
55.05495	0.3
56.05026	1.3
57.03426	0.6
57.07065	3.2
58.06564	1.2
59.07370	0.5
60.08152	15.3
67.05491	1.0
69.07041	0.6
69.40470	2.3
71.07357	5.6
71.08617	2.2
81.07045	1.0
83.08581	0.5
84.08126	0.3
85.10166	0.9
86.09687	46.1
95.08598	1.5
98.98445	2.8
102.07809	0.2
104.10723	100.0
105.11071	0.5
107.08530	0.3
109.10120	0.5
123.11635	0.4
124.99980	25.3
141.00095	0.2
142.24886	0.2
143.01163	0.3
146.06000	0.2
163.01511	0.6
165.10503	0.2
166.02608	0.3
181.02647	0.3
184.07303	94.1
185.07639	0.6
236.23734	0.2
237.24071	0.3
258.10944	1.2
285.24149	2.8
296.96335	0.2
363.88708	0.2
450.29715	9.5
451.30045	0.4
468.30774	39.4
469.30945	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.3101
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	17.1
55.01853	22.0
55.05505	36.8
57.06816	5.7
57.07068	61.9
57.34211	5.6
59.92290	5.0
65.03921	11.1
67.05168	5.9
67.05492	86.0
69.07042	24.1
69.89031	12.1
69.89440	26.0
71.08615	11.2
74.09711	7.2
79.05479	49.8
81.03394	16.0
81.07038	55.4
83.04958	19.6
83.08606	11.5
85.06512	17.4
89.06023	49.4
91.05463	100.0
92.27248	5.5
93.07045	39.8
95.04936	26.8
95.08590	33.1
98.20703	6.0
103.05485	7.1
105.03370	6.5
105.07020	33.4
107.04919	11.3
107.08589	15.4
109.10118	17.9
115.04745	5.0
115.05430	31.0
116.06254	6.6
117.07005	44.1
119.08554	22.5
121.10100	9.0
123.11679	11.7
128.06183	21.8
129.06982	47.5
131.08525	24.1
133.08591	29.8
133.10071	11.0
136.08388	6.0
141.06964	50.0
143.08540	28.5
145.06456	17.2
145.10109	14.5
147.08018	7.7
147.11617	6.4
152.06197	20.2
153.06964	31.2
154.07733	15.6
155.08556	44.8
157.06465	7.7
157.10094	7.8
159.08087	12.7
165.06972	59.3
166.07747	25.0
167.08531	78.7
169.10112	26.6
171.08058	7.1
173.09760	8.9
173.11633	6.3
177.11137	6.9
178.07730	37.4
179.08527	66.5
180.09224	14.0
181.06476	13.3
181.10085	52.8
183.08008	14.3
183.11630	18.6
185.09593	8.0
189.07027	6.9
190.07799	11.5
191.08510	37.1
191.10617	21.8
192.09309	15.6
193.10095	43.5
194.07141	8.6
195.08000	19.5
195.11693	20.9
197.09576	7.4
202.07751	19.7
203.08536	40.8
204.09283	23.2
205.10110	39.9
206.07449	6.1
207.08011	11.4
207.11630	36.2
209.09540	15.8
209.13260	9.7
211.07494	7.8
211.14723	9.5
215.08594	22.1
216.09222	19.7
217.10179	35.7
218.10881	11.1
219.11604	36.9
221.09578	16.5
221.13235	17.4
223.11119	13.6
223.14848	9.1
225.16382	7.5
227.17972	8.3
228.09303	10.3
229.10045	17.3
230.10901	7.1
231.11514	29.0
232.08821	7.9
232.12195	5.4
233.09586	12.4
233.13167	16.8
235.11162	12.9
235.14873	11.7
237.12677	11.6
239.14490	6.8
243.11638	20.6
244.12440	5.5
245.09372	12.7
245.13338	9.7
247.11124	11.8
247.14670	6.9
249.12642	6.4
257.13162	9.4
259.14728	9.8
261.08911	5.8
261.12936	9.1
261.16241	10.8
263.14203	7.8
263.72931	6.3
265.11890	6.2
273.16202	5.7
283.17480	39.1
289.15997	6.7
289.19254	8.2
291.17255	6.3
293.22580	27.0
303.20880	14.9
317.22522	10.0
321.22015	26.1
349.21555	5.9
360.28244	8.4
361.28818	11.3
377.28375	8.5
387.26779	11.6
389.28482	28.9
405.23605	6.7
423.25058	15.1
468.32159	11.9
468.37573	8.2
468.42694	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	468.3078
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	1.0
55.76619	0.3
56.05022	2.2
57.03432	0.9
57.07063	4.4
58.06589	100.0
59.06916	0.5
62.81973	0.3
64.24791	0.3
67.05482	1.6
69.07069	1.7
71.08622	3.4
71.57795	0.6
76.07629	5.0
79.05508	0.4
81.07040	1.7
83.08617	1.5
85.10151	1.8
87.04453	0.6
91.05471	0.8
93.07036	0.8
95.08592	2.6
97.06545	0.4
97.10164	0.9
97.86383	0.4
98.98457	0.9
100.98935	0.4
102.75640	0.3
103.05475	0.4
104.04905	0.3
105.07055	0.4
107.08513	0.4
109.10154	0.8
121.06493	3.8
121.10188	0.4
123.11763	0.4
133.08702	0.4
135.11630	0.4
156.04208	0.7
193.74379	0.3
228.64618	0.4
230.07922	1.0
257.31110	0.4
273.40997	0.4
296.29517	0.4
312.26099	0.6
313.27304	28.6
314.27377	0.9
339.78629	0.4
365.03400	0.5
407.17908	0.4
450.29874	2.5
468.30560	4.2
468.40628	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.2434
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.9
55.01847	5.3
55.05499	8.1
56.05019	2.3
57.03416	1.6
60.04498	4.9
61.02900	1.4
62.10810	1.7
67.05498	14.3
67.58774	1.7
69.03422	9.5
69.07057	17.4
70.06586	15.4
70.22681	7.3
71.04985	12.1
72.08131	5.6
79.05472	17.2
81.03403	22.2
81.07043	43.6
82.06561	2.5
83.04972	18.8
83.08588	6.5
84.04504	2.4
84.08125	10.6
85.02898	4.9
85.06518	8.7
86.09693	8.6
87.27352	1.6
91.05463	10.5
93.07030	51.0
95.04949	16.1
95.08589	32.0
97.02866	2.2
97.06506	33.5
98.36880	1.6
99.04439	28.0
100.07616	2.0
101.06032	2.1
105.07006	34.8
106.05016	3.9
107.04945	3.3
107.08582	26.4
109.02853	18.0
109.06501	24.5
109.10139	6.5
111.08057	31.7
113.06001	5.3
115.07550	2.4
117.06955	2.4
119.04945	2.1
119.08553	15.2
120.08092	4.6
121.06484	48.8
121.10136	6.8
123.04385	5.2
123.08031	6.3
123.11701	15.1
125.05981	19.0
125.09589	2.3
127.03930	8.0
127.07561	8.6
128.06160	2.0
129.05461	1.8
129.07016	3.1
129.10178	3.7
131.08502	3.7
133.06522	2.2
133.10101	22.2
135.04347	3.3
135.08025	12.1
137.05939	4.5
137.09518	2.2
139.07510	21.7
140.07014	2.0
142.07692	4.0
142.12244	5.7
143.07030	13.2
143.08537	7.6
145.04927	3.2
145.10045	7.6
147.08037	5.3
147.11664	49.6
149.13219	5.4
151.07503	3.3
151.11131	7.8
153.09044	2.7
155.07021	2.2
156.09367	3.9
157.08586	10.8
157.10098	13.6
159.06514	8.5
159.08170	2.0
161.05988	3.2
161.13193	10.3
163.03883	4.0
163.11089	2.7
165.12720	19.9
169.12202	41.2
171.11670	14.5
173.09650	4.3
175.11148	37.9
178.76085	1.8
179.03343	6.6
180.03664	3.8
181.10068	3.4
184.07292	3.9
184.08852	2.5
187.05969	5.9
189.12724	21.6
190.05606	2.1
191.10683	2.0
193.12190	39.2
199.11160	23.7
205.07059	57.0
206.07381	1.8
207.13817	13.4
211.13254	47.4
215.07013	2.9
217.12204	68.4
219.06470	2.2
220.06834	4.6
221.04269	1.8
227.16356	2.3
229.14301	43.9
235.13261	77.1
238.05096	1.7
239.11725	2.7
253.14310	100.0
254.02757	1.8
257.08234	1.9
259.09564	3.6
260.09909	2.0
267.11273	2.0
271.15359	20.7
287.13858	3.4
289.10455	2.6
327.13336	5.2
379.17474	3.6
397.18442	19.9
415.19580	40.0
433.20609	39.4
449.77493	1.9
451.21655	1.9
468.22330	7.5
469.16846	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	468.2433
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.1
55.01857	1.8
55.05496	3.3
58.92958	0.9
60.06675	0.9
60.08144	1.7
61.02891	1.2
62.06075	1.8
67.05140	1.0
67.05487	3.9
69.03406	3.9
69.07066	5.3
69.16894	1.1
69.47633	10.3
70.06577	7.9
71.04977	5.9
72.06159	0.9
77.52998	1.1
79.05475	6.1
81.03401	1.3
81.07045	20.0
83.04976	8.0
83.08588	3.2
84.08129	1.8
85.02888	6.1
85.06535	2.4
86.09695	7.3
91.05457	4.1
93.07028	22.3
95.04951	6.4
95.08595	20.5
97.02897	2.5
97.06512	13.3
99.04449	8.5
99.18687	1.0
104.10739	11.0
105.07021	13.4
107.04944	3.5
107.08579	10.0
107.33826	1.0
109.06506	15.5
109.10141	2.9
111.08058	9.3
113.05956	1.5
117.07012	1.2
117.87212	1.2
119.04961	1.4
119.08560	7.5
120.08062	1.3
121.06481	42.5
121.10143	2.9
123.04446	2.0
123.08041	1.8
123.11685	2.8
124.99980	1.5
125.05981	9.5
127.03900	2.3
127.07543	7.1
129.07036	1.6
131.08514	2.6
133.10085	6.9
135.04375	1.3
135.08022	6.3
136.07599	1.3
137.05956	2.7
137.13232	1.5
139.07532	10.4
141.05463	1.2
143.06955	5.0
143.08562	2.7
145.04938	2.1
145.10095	2.9
147.08046	1.9
147.11664	20.5
149.13217	1.6
151.07436	1.2
151.11143	2.1
157.08582	7.3
157.09926	8.1
159.06528	7.7
159.07796	1.4
161.05983	1.2
161.13219	6.3
163.14796	1.2
165.12735	9.4
169.12207	7.5
171.11667	8.0
173.08075	1.5
173.09531	1.2
175.11145	16.6
179.14285	1.1
181.10167	3.0
184.07320	8.9
185.06012	1.1
189.12712	13.3
193.12227	19.9
199.11127	17.4
207.13762	9.5
211.13257	18.1
217.12210	45.6
218.12637	1.3
229.14357	9.4
235.11311	1.0
235.13251	71.9
253.14311	100.0
254.14647	2.3
271.15341	23.4
289.16397	23.3
289.19327	0.6
303.04935	2.6
304.05316	8.3
305.05508	8.6
306.05765	13.1
307.05994	1.3
343.70413	3.1
347.76355	1.0
357.79544	1.2
450.22424	1.2
468.23380	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	468.2221
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	0.7
63.49535	0.3
63.49891	0.3
67.84632	0.2
69.03416	1.8
69.65837	2.5
70.06197	0.3
70.06582	8.4
71.04983	13.1
78.84600	0.3
80.12348	0.2
81.03419	0.5
81.95558	0.3
82.06567	30.4
83.07339	0.3
84.08130	44.1
85.02878	2.3
85.08458	0.7
87.04432	0.4
90.67585	0.3
97.02878	0.9
97.06512	0.6
97.08912	0.4
100.07600	28.4
103.53817	0.3
103.84367	0.3
122.09654	0.8
122.27785	0.3
123.04409	20.6
124.11223	1.7
126.09138	0.4
127.03917	0.4
137.05861	0.3
142.08617	0.6
164.88300	0.4
165.05519	1.0
165.59140	0.4
169.59534	0.4
172.20250	0.3
182.11720	0.4
213.52388	0.3
219.10075	0.8
253.22057	0.3
262.14444	0.8
276.77191	0.3
284.46906	0.3
288.12988	0.6
288.15915	4.5
299.37018	0.3
306.16968	10.0
306.70938	0.3
307.17465	0.5
330.60321	0.4
450.21146	6.4
451.21219	0.3
468.22226	100.0
469.22467	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	468.2222
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36810	0.4
55.01850	0.4
55.05489	0.7
56.05021	1.1
57.03431	0.8
61.02914	1.0
69.03426	4.2
69.74294	1.3
69.74718	1.0
70.06576	5.1
71.04987	5.3
73.02909	0.9
80.05006	0.6
81.03396	1.4
82.06569	16.4
84.08131	20.0
85.02893	6.7
87.04459	1.0
91.03930	0.5
95.14090	0.3
96.08096	0.7
97.02882	2.6
97.06492	1.2
98.09684	2.7
100.07600	11.5
105.03304	0.4
109.02872	0.6
111.08077	3.2
112.10056	0.3
122.09672	1.7
123.04409	42.5
123.08037	1.2
124.04762	0.7
124.11216	1.5
126.09135	6.8
127.03894	1.3
135.55580	0.4
137.05954	0.7
140.10725	1.9
142.08611	12.8
145.04945	0.5
147.04297	0.4
149.05952	0.7
165.05490	2.1
171.79857	0.3
173.05791	0.5
175.07657	0.4
201.09053	0.5
215.10680	2.5
219.10240	0.6
229.49539	0.3
233.11720	3.7
244.13298	2.4
245.11714	0.5
262.14346	21.4
263.14520	0.4
288.15976	3.1
306.16934	13.5
307.17331	0.4
424.19623	1.8
450.21060	3.8
454.41913	0.4
468.22226	100.0
469.22562	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	468.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05018	0.5
57.03418	0.8
57.40185	0.3
61.02913	0.5
67.04240	0.5
69.03413	3.4
70.06241	0.6
70.06583	7.9
71.04982	8.5
73.02895	0.7
80.05000	0.6
81.03392	0.9
82.06566	24.7
84.08130	35.3
85.02899	4.7
85.08482	0.4
87.04456	1.0
94.92993	1.2
96.08123	0.9
97.02873	2.4
97.06519	1.1
98.09697	1.7
99.04485	0.4
100.07601	19.3
109.02875	0.8
111.08070	2.3
112.89568	2.7
114.89320	0.8
119.01895	1.0
122.09657	1.6
123.04410	33.6
123.94123	0.5
124.04763	0.8
124.11207	3.2
125.93890	0.7
126.09157	2.0
127.03909	1.4
127.12254	0.3
135.03326	0.3
137.05899	0.5
138.11496	0.3
139.91455	1.6
140.10683	1.4
142.08607	7.6
143.66055	0.4
145.04944	0.4
155.01886	0.4
161.02911	0.9
162.05956	0.5
165.05495	1.5
173.02994	0.5
182.11897	0.5
182.97235	0.4
185.02882	0.9
185.04234	1.0
186.06020	2.0
186.91620	0.4
187.04564	1.0
197.02982	0.4
201.09122	0.7
203.05342	3.3
203.95883	0.4
204.07188	1.7
205.05649	0.5
215.10751	0.7
216.07162	0.5
219.10144	0.9
224.98395	0.4
232.90152	0.5
233.11673	2.0
240.96690	0.4
244.13313	1.1
245.05043	2.7
245.96942	1.8
246.08279	0.8
262.14346	12.5
262.17145	0.6
265.97830	0.4
288.15930	5.4
306.16940	13.5
365.10519	9.6
365.14441	0.3
366.10840	0.8
366.94144	0.4
367.11008	3.8
381.07950	0.5
383.07922	3.5
424.19394	0.7
450.21185	6.2
468.22217	100.0
469.11285	0.5
469.22458	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	468.1894
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.7
55.05494	4.2
60.08145	3.3
67.05491	4.1
69.03415	3.9
69.07066	7.9
70.06590	7.9
71.04989	1.3
71.62764	1.9
72.08139	2.2
72.62762	1.1
75.38034	1.2
79.05473	3.7
81.03391	2.2
81.07063	7.7
82.06554	1.4
83.04962	1.6
83.08613	2.1
84.04496	2.0
84.08134	6.1
85.02895	3.9
86.09702	20.4
87.09950	1.2
91.05477	4.7
92.88057	1.7
93.07047	3.7
94.06528	1.2
95.04972	1.7
95.08577	2.2
97.02880	1.5
97.06514	19.6
100.11237	4.4
104.10707	1.4
105.07012	5.8
107.04934	2.2
107.08582	14.9
108.84492	1.1
109.06491	5.9
109.10146	6.0
110.06019	1.2
110.09673	1.6
115.05433	1.6
117.07001	1.7
119.08556	2.9
120.08110	4.1
121.06464	1.2
121.10146	8.2
122.05997	1.4
124.99986	13.2
126.02415	1.3
126.09167	1.6
127.03966	1.7
131.08557	3.0
133.10120	100.0
135.04385	2.2
135.08057	8.0
135.08965	1.4
135.11646	3.1
137.09607	60.7
140.07024	4.3
143.03383	1.2
145.02888	2.0
147.11681	2.3
148.07544	2.5
149.13246	9.8
159.11751	1.5
161.02341	5.5
163.03905	14.9
163.14848	1.7
173.02353	11.4
173.13243	7.0
184.07327	73.7
191.14296	69.9
191.15784	1.4
207.02867	1.8
209.15332	33.2
210.15031	1.3
215.07021	21.5
216.07280	1.3
226.01631	1.4
243.11168	1.7
259.09644	34.6
260.10074	1.6
277.10751	12.8
287.13751	3.3
303.13275	6.1
327.13397	4.2
416.70364	1.3
467.36053	1.3
468.22052	10.8
468.36041	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	467.33
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36610	0.5
53.03937	1.0
54.02814	0.5
55.01861	1.5
55.05497	5.3
57.07063	21.0
65.03923	0.6
67.05489	9.4
69.03412	4.3
69.07050	3.7
79.05472	5.8
79.07039	0.5
81.03403	1.9
81.07051	4.9
83.08595	1.2
85.82291	0.5
91.05467	7.9
93.07027	2.8
95.04951	2.2
95.08579	2.6
105.07018	4.2
107.04906	0.7
107.08577	1.8
109.10135	1.7
115.05424	2.0
117.06973	3.0
119.08578	2.4
121.06477	0.5
123.18021	0.5
127.11180	1.6
128.06201	2.0
129.06956	3.7
131.08556	2.1
133.10075	1.1
140.13115	0.6
141.06918	3.1
143.08508	2.1
145.10068	1.2
152.06192	0.9
153.06946	2.2
154.07835	1.0
155.08540	2.4
165.06972	4.6
166.07770	1.6
167.08519	3.0
169.10144	1.3
178.07750	3.4
179.08517	6.0
181.10095	1.0
183.11641	0.8
185.13167	0.6
189.06960	2.5
190.07672	3.3
191.08490	5.0
192.09258	1.5
193.10136	3.3
202.07779	7.0
203.08501	8.3
203.40402	0.9
204.09331	2.2
205.06506	0.7
205.10095	5.2
207.08118	0.8
207.11766	1.4
215.08511	14.1
216.09285	4.9
217.10045	6.0
218.07281	1.3
218.10905	1.3
219.07935	1.9
219.11647	2.4
221.09492	1.1
226.07677	5.5
227.08524	7.5
228.09267	10.2
229.10080	14.1
229.49472	0.7
230.10831	2.7
231.08018	2.4
231.11575	3.8
232.08791	1.1
233.09633	1.7
233.13184	0.8
239.08502	14.2
239.10939	0.8
239.17937	0.7
240.09285	10.2
241.10060	22.8
242.07181	0.9
242.10846	7.4
243.07983	2.4
243.11656	9.9
244.08826	1.1
244.12411	1.2
245.09627	2.3
245.13228	1.7
246.10306	1.0
247.11130	1.0
252.09326	7.8
253.10063	15.9
254.10838	6.5
255.08043	3.3
255.11612	14.9
256.08963	2.7
256.12289	3.0
257.09528	6.1
257.13165	5.4
258.10449	1.6
259.11133	2.4
259.14804	0.9
264.09274	0.9
265.10037	6.9
266.10828	3.4
267.11697	8.5
268.08850	1.6
268.12473	2.5
269.09595	9.6
269.13202	8.6
270.10318	3.1
270.13907	1.6
271.11154	6.0
271.14755	2.3
272.11896	0.8
273.12585	0.6
275.17795	0.9
276.09323	0.7
277.09958	1.1
278.10577	1.0
279.11697	5.2
280.12540	1.6
281.09915	1.4
281.13220	3.9
282.10361	1.9
282.13879	1.3
283.11145	8.8
283.14709	2.4
284.11926	2.3
284.15482	0.8
285.12775	3.3
285.15781	0.7
287.17880	0.9
289.16281	0.6
289.19492	1.2
293.13248	2.2
295.11478	1.0
295.14832	1.3
297.12729	5.2
297.16229	1.3
298.13422	1.4
299.14191	1.9
299.17853	1.6
301.19421	1.9
307.14719	0.9
308.15475	0.7
309.16196	0.8
311.14218	1.8
311.17670	1.1
313.16052	0.8
313.19504	2.6
315.21170	1.3
317.18964	1.1
325.15985	1.1
325.19479	3.7
327.17590	1.0
327.21140	2.6
329.19077	1.5
337.19470	1.4
339.20929	4.0
340.21634	1.6
341.18842	2.1
341.22617	3.9
343.20526	1.2
350.20197	1.4
351.21103	2.6
353.18863	1.8
353.22675	2.0
355.20499	4.7
355.24063	0.8
357.22018	1.0
365.22571	1.7
367.20496	2.4
367.24457	1.0
368.21295	4.8
369.22040	8.3
381.22125	1.6
382.22903	1.9
383.23685	5.5
396.24396	1.0
397.25021	1.0
401.28033	0.7
411.30588	0.8
439.34146	3.5
449.31943	5.1
467.32996	100.0
468.33258	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	467.2638
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	5.3
55.01853	5.7
55.05299	1.5
55.05507	18.0
57.03423	16.1
65.03921	3.8
67.05496	49.0
69.03414	11.4
69.07059	12.5
70.06571	6.6
71.04970	6.6
71.62811	1.7
72.08150	1.9
73.02908	2.5
79.05482	33.5
81.02922	1.5
81.03408	69.5
81.07048	80.5
82.07378	17.6
83.04971	13.4
83.08604	20.1
84.08128	3.9
85.02417	3.1
85.02897	42.8
85.06541	2.9
86.09706	7.8
87.04460	3.7
91.05473	99.6
93.07032	37.5
95.04960	28.8
95.06055	3.6
95.08035	2.7
95.08595	35.6
95.38693	1.6
96.08881	3.8
97.02895	10.3
97.06516	24.3
97.10154	3.4
103.05451	1.8
105.07011	27.8
107.04928	7.5
107.08582	10.5
109.02824	1.6
109.06509	5.4
109.10145	16.3
110.07140	5.7
110.22243	1.6
111.04420	2.7
111.08053	9.4
113.06020	5.0
115.03918	5.9
115.05434	3.5
117.06980	8.2
117.20150	1.6
119.08566	93.9
120.08062	1.5
121.06477	6.3
121.10118	15.9
123.08102	4.0
123.11691	2.6
127.03868	4.8
129.06973	11.8
131.08554	9.2
133.04942	7.1
133.06448	3.8
133.10121	8.2
135.04413	3.4
135.08051	3.7
135.11641	2.9
136.07532	1.7
137.09604	42.0
137.13225	9.1
138.13542	7.8
142.07727	2.4
143.08536	2.3
145.04955	2.3
145.10139	6.0
147.07974	9.0
147.11653	12.3
149.09598	6.3
150.07632	2.5
153.05510	1.9
157.10117	8.9
159.07980	1.9
159.11661	1.9
161.09618	1.8
163.03868	11.2
163.11205	3.4
164.83597	1.7
165.09109	31.7
165.12740	3.3
173.02289	4.6
173.09552	1.8
175.11176	9.0
183.10117	13.0
191.10693	3.0
193.12215	40.4
193.13853	3.1
201.16391	4.3
202.24756	1.5
211.13260	55.6
215.07007	5.4
215.14818	1.6
239.12714	14.9
247.21706	2.0
249.11282	2.5
253.11856	1.9
257.13840	1.9
259.09647	25.0
265.14453	1.9
267.15894	7.5
285.16901	13.6
291.12405	3.0
292.23730	3.3
303.04926	1.9
338.24240	9.8
339.19421	4.1
357.20914	2.4
431.24438	7.8
449.19263	2.6
449.25223	13.7
467.26364	100.0
468.21368	2.5
468.27197	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	466.4091
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27690	1.5
55.05494	4.2
57.07064	38.0
65.75410	1.5
67.05476	3.7
69.07050	5.3
71.08617	34.4
71.33739	1.4
71.58218	2.3
72.65863	1.5
73.06538	3.8
81.07048	2.5
83.08598	4.0
85.10167	18.6
87.04437	4.6
89.06015	100.0
95.08627	1.4
95.95282	1.4
97.10151	6.1
99.11735	3.3
104.07096	1.6
105.07065	1.5
107.07050	5.0
109.10128	2.6
111.15789	1.6
113.75613	1.4
130.08583	3.0
133.08578	56.2
151.09584	4.4
165.15810	1.4
177.11186	14.7
195.12221	2.1
211.24194	2.7
227.73547	1.5
239.14859	34.3
299.29413	6.5
301.93100	1.5
449.38272	51.4
450.38556	2.4
466.36139	2.8
466.42438	3.8
482.47800	1.9
493.46637	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.1689
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	7.0
55.05494	0.7
56.05018	0.5
57.07067	0.7
60.04514	2.3
61.00828	0.7
61.01139	13.1
67.05489	1.0
69.03408	0.9
70.06583	3.9
70.77429	0.7
71.04976	1.8
72.04504	7.9
72.08147	2.0
73.02900	1.6
78.03780	15.4
81.07021	0.4
84.04481	0.7
84.08132	4.1
85.02861	0.6
85.06536	1.3
85.08463	0.5
86.06054	3.0
86.09689	2.6
87.04436	1.0
88.01736	0.5
88.02209	3.6
91.05455	0.5
95.04907	0.8
97.02858	3.0
98.20742	0.5
99.04448	0.8
99.05551	4.9
100.03989	0.4
101.02347	1.8
102.03745	16.8
102.05557	0.4
103.02145	5.2
104.01660	1.7
107.04929	0.7
109.16718	0.4
110.07146	1.1
112.07557	0.6
113.06000	2.1
114.03719	3.2
114.05496	1.8
115.03909	24.5
116.03432	0.6
116.06985	0.4
120.04787	13.0
120.08101	1.2
124.07564	1.8
125.02319	8.3
126.09130	1.0
127.03920	0.8
129.10223	1.4
130.03250	0.4
130.08704	0.8
131.06360	9.1
132.04773	11.3
136.07541	1.2
141.06546	0.4
142.05013	0.7
142.08624	4.5
143.03368	6.5
147.04436	0.5
149.07411	33.0
149.30533	0.4
153.01839	1.3
156.04749	0.4
156.07674	0.7
159.05835	1.9
160.64192	0.4
161.04433	1.3
166.08575	0.5
167.01636	0.5
168.06470	0.8
171.02866	4.8
174.05807	2.9
175.05334	1.0
182.04492	0.5
184.09662	2.5
185.02629	0.8
186.07533	0.7
189.03920	1.0
196.05974	1.5
200.05562	0.7
202.05283	2.0
202.10597	0.4
213.01981	0.8
214.07077	1.1
215.06979	0.4
224.05550	1.6
230.04814	0.9
231.03223	1.2
242.06552	1.7
243.11714	0.5
248.03442	0.8
248.05861	10.0
261.12555	2.6
266.06863	2.1
290.06863	1.9
291.10089	0.7
294.04263	0.6
301.08548	0.9
319.09531	15.9
329.08032	1.5
336.42123	0.4
337.10571	100.0
338.10925	2.1
347.09079	0.5
403.15295	0.7
431.14722	1.4
449.15808	26.7
450.16061	0.7
452.34781	0.5
466.77512	1.1
467.24615	0.6
468.09433	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	466.3673
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.5
57.07058	0.3
58.05204	0.1
67.05487	0.2
69.44288	1.2
70.15185	0.1
70.15649	0.1
70.21165	0.1
71.08620	0.1
79.05479	10.0
80.05813	0.2
81.07035	0.2
85.10149	0.1
87.04452	0.4
89.06001	0.2
89.17095	0.1
89.88755	0.1
91.05464	0.2
93.07011	0.7
94.06563	0.2
95.04942	0.9
95.08575	0.1
102.94413	0.1
103.05447	18.0
104.05708	0.2
105.04479	0.2
105.07016	1.6
107.04935	10.9
107.07310	3.0
107.70330	0.1
108.05258	0.1
113.71362	0.1
118.11486	0.1
120.06664	0.1
120.08086	1.9
121.06464	0.7
121.08856	0.6
127.37186	0.1
131.04906	5.6
134.09624	1.4
148.11156	0.5
149.05956	0.4
162.12772	0.5
164.07089	0.4
165.07816	0.4
176.14357	0.2
178.08630	0.5
190.15929	0.5
192.10170	0.3
192.17455	0.2
204.17551	0.3
206.19020	0.3
218.19049	0.4
232.20619	0.2
246.22086	0.2
248.16432	0.3
255.12560	0.4
268.13245	0.3
276.19519	0.3
282.14874	0.2
290.21158	0.5
318.31479	29.2
319.31848	1.3
346.34338	0.1
404.46747	0.1
422.38638	0.2
466.36710	100.0
467.37054	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	466.2639
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.3
55.01865	0.9
55.05505	4.6
57.03419	5.0
57.07061	3.6
57.61982	0.5
58.99565	0.7
59.04994	0.9
60.04531	0.5
60.99147	1.2
67.05480	4.2
69.03415	18.4
69.07049	5.2
70.06575	2.0
70.87748	0.6
70.88058	0.8
71.82124	0.5
73.02889	1.0
75.04440	0.8
75.67931	0.5
75.95919	0.5
76.02213	0.9
76.03994	0.7
78.01828	0.7
79.05476	8.2
81.03433	0.8
81.07042	100.0
82.07393	0.9
83.04945	0.4
83.08613	6.3
84.04504	2.4
84.08128	0.7
84.08950	0.9
85.02885	14.3
87.04453	13.5
88.98650	0.6
91.05461	0.8
93.07022	2.5
95.04940	0.6
95.08590	19.1
97.02874	16.4
97.06525	1.1
97.10148	1.2
99.04443	1.2
100.11240	1.7
105.07047	0.6
107.08582	1.0
109.02862	0.8
109.10172	1.5
110.09705	0.6
111.04455	0.9
114.32454	0.5
115.03913	30.2
116.01636	2.8
118.01234	4.5
119.08559	1.1
120.08121	0.6
121.10078	0.6
123.11697	1.0
127.03897	2.6
129.06635	0.5
129.10187	0.7
130.05008	0.6
133.04941	32.2
135.11716	0.7
137.13229	24.5
138.09117	0.5
144.01143	1.0
145.01556	0.5
145.04941	4.0
145.10088	0.6
146.00711	1.9
147.11722	0.6
150.07602	5.5
154.12262	0.7
154.15868	0.8
162.02129	2.4
163.02502	1.5
163.05959	0.6
164.01654	5.8
166.08568	1.1
177.12674	0.5
179.14368	0.9
182.15363	0.9
185.64592	0.5
210.14896	0.8
215.14642	1.0
216.15054	0.9
217.13979	2.5
241.07031	1.1
259.08145	2.1
269.17181	0.5
277.09241	1.8
295.10159	3.2
314.10168	1.1
319.17746	1.1
320.16913	3.6
336.20490	0.5
337.19894	1.9
370.75159	0.5
391.20773	0.7
466.24307	0.8
466.34976	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.2644
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70539	0.4
53.03942	1.2
55.01854	1.2
55.05498	2.1
57.03421	3.4
57.07058	1.4
59.04990	1.0
59.23499	0.4
60.04509	0.5
61.02911	1.3
65.03931	0.5
67.05494	3.9
69.03419	10.5
69.07062	2.7
69.50634	1.3
69.51059	2.4
70.06564	2.7
72.08147	0.5
73.02902	4.6
79.05477	7.4
81.03410	3.1
81.07043	100.0
82.07388	0.9
83.04979	0.6
83.08607	1.1
83.97929	0.4
84.04528	0.5
84.08141	1.5
85.02891	14.7
85.06557	0.4
86.09691	0.7
87.04458	6.5
91.03957	0.5
91.05456	2.4
93.07034	1.8
95.04955	1.1
95.08590	13.5
97.02879	11.5
97.06528	1.4
97.10158	0.5
98.06065	0.5
100.11263	0.9
103.03917	0.5
105.06982	1.0
107.04926	0.6
107.08565	1.0
109.02871	0.7
109.10147	0.9
110.07220	0.4
111.04430	0.5
111.08076	0.8
115.03910	12.7
117.07032	0.5
119.08561	1.8
121.10076	0.7
125.09623	0.5
127.03893	3.7
129.06993	0.6
131.08549	0.5
133.04948	14.2
133.10017	0.6
135.11668	0.6
137.13234	26.0
144.01131	0.5
145.04933	4.4
150.07634	2.4
153.09087	1.5
163.03925	0.7
163.05945	2.6
164.01755	0.6
179.14217	0.5
210.14883	0.7
211.13234	0.6
223.05836	0.6
241.07118	1.5
249.11465	0.4
259.08218	1.9
269.17523	0.7
295.10260	1.2
304.05374	0.5
311.54178	0.4
333.47266	0.4
358.88953	0.4
391.46375	0.4
424.18170	0.5
466.19681	0.8
466.25287	0.7
467.26340	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.2431
Annotation	Ku-0063794
Peak:m/z	Relative Intensity
53.03932	0.7
55.01851	0.4
55.05478	0.5
56.05024	0.8
57.03409	0.4
60.04509	0.8
61.02933	0.9
67.05486	0.5
68.05019	5.5
69.03416	3.3
69.80937	0.8
69.81339	2.1
70.06582	9.5
71.04962	0.9
72.08142	1.9
73.02896	0.8
75.51830	0.3
79.05461	1.6
79.81712	0.4
79.85618	0.4
80.04997	1.7
81.03402	1.1
81.07028	0.5
82.06551	1.7
84.04494	0.8
84.08124	5.5
85.02888	5.4
86.06062	0.7
86.09689	4.0
87.04437	1.2
87.05580	0.6
88.03981	0.5
91.03946	0.4
91.05455	1.0
93.07027	0.9
93.22105	0.3
95.04948	1.0
96.08138	0.5
97.02898	2.6
97.06484	0.7
98.21513	0.4
105.07028	1.1
106.06583	0.4
107.04936	100.0
108.05277	1.1
109.02886	0.4
110.07163	0.8
114.09154	0.4
119.04989	0.5
119.08549	0.9
119.17122	0.4
120.08087	2.3
121.06484	3.3
121.08875	0.8
122.09642	2.0
123.08070	0.4
127.03890	1.4
129.10225	1.4
131.08385	0.4
134.09634	3.1
135.08080	0.7
136.07549	1.0
137.05988	0.7
137.09602	0.7
145.04974	0.8
145.06435	0.7
145.10040	0.4
146.09659	1.2
147.10408	0.9
148.11176	5.1
149.05971	0.4
150.09097	0.6
157.06471	1.1
159.07986	0.7
160.11194	0.4
163.07501	0.4
164.10710	1.0
166.12256	1.0
167.08606	0.4
171.08089	0.4
178.12280	0.7
179.03378	0.9
180.13823	1.6
185.09550	2.1
197.09618	0.5
211.11211	0.9
228.13814	3.7
235.10876	0.5
240.13831	1.5
243.13797	0.5
244.16949	0.7
254.15350	5.5
256.17047	0.7
259.10040	0.4
272.16394	4.3
274.10583	0.6
286.17941	11.5
304.15399	0.6
304.18881	0.6
390.19040	1.0
402.19110	0.6
409.47546	0.5
416.20636	3.5
434.21674	28.0
435.22037	1.5
448.23239	85.8
449.23633	3.7
461.59769	0.4
466.24472	32.4
467.24780	1.3
490.94141	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.0563
Annotation	Unknow
Peak:m/z	Relative Intensity
58.84735	0.7
59.40911	0.6
59.47396	0.8
60.63646	0.8
67.99119	0.7
69.74605	3.2
69.75021	2.1
70.05179	0.7
79.71581	0.8
113.52837	0.9
123.94102	5.7
185.04210	11.5
203.05234	32.7
203.07092	1.6
243.96979	1.8
253.01941	0.7
273.36002	0.7
281.64786	0.8
360.29358	0.8
361.45062	0.8
362.24200	0.8
365.10501	100.0
366.10733	1.3
381.07895	33.9
489.50342	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.1637
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58715	0.4
55.05490	0.4
55.93513	0.4
57.07066	4.9
58.06590	1.2
65.03934	1.4
65.57592	0.4
69.03420	0.8
69.07024	0.4
69.22619	0.4
70.03059	2.1
70.03416	0.7
70.06583	13.3
71.08622	2.0
72.08154	0.6
79.05474	0.5
81.37247	0.4
84.08144	1.2
85.10159	0.7
88.07622	14.7
91.05489	1.3
93.07105	0.4
98.21435	0.6
101.48805	0.5
102.09164	9.5
103.01789	0.5
103.05471	0.4
105.07028	1.3
115.05444	3.2
117.07008	2.8
119.31646	0.4
121.02796	0.7
132.10143	0.4
139.03912	1.1
145.06474	3.2
146.11761	0.6
149.02325	39.1
149.03342	1.9
159.08083	0.7
161.06007	0.9
173.05978	5.3
173.09544	0.4
173.40891	0.4
175.07489	3.8
177.05444	1.0
177.09061	0.6
187.07565	1.4
191.07021	3.0
193.04939	42.6
199.11035	0.4
203.07011	10.9
204.07310	1.1
205.08557	0.7
209.08026	0.8
211.11252	0.5
215.07039	1.8
221.08058	32.7
222.08434	2.9
227.10727	0.6
229.08679	0.5
229.12291	1.6
233.08070	2.7
234.08427	0.5
237.07545	39.3
245.11595	1.1
247.54254	1.9
248.04204	2.8
248.54291	0.9
249.04164	1.0
255.10220	0.6
256.26321	37.6
257.11710	3.8
258.11890	0.5
262.99814	0.9
273.11255	1.3
274.56732	0.5
275.06491	0.5
275.12766	9.7
275.97198	0.6
276.13126	1.3
277.01468	2.0
280.01321	1.2
283.57062	1.8
284.06927	2.5
292.01343	1.6
293.00986	2.8
293.13785	9.1
294.02994	1.9
294.14160	1.7
295.02762	4.4
296.03421	0.5
300.28970	3.3
312.04037	1.4
313.03668	3.7
314.03992	0.6
315.71500	0.5
318.04266	0.8
319.60071	0.5
320.10117	1.0
347.05722	2.3
364.07196	0.7
365.06754	4.4
387.08420	0.4
388.08191	0.8
388.51129	0.4
449.62158	0.4
466.31598	100.0
467.32181	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2688
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	3.3
55.01867	4.2
55.05505	13.6
55.49665	1.5
55.76862	1.7
56.05001	2.2
57.03425	3.1
57.07063	1.9
61.02927	2.5
65.03928	1.8
67.05496	41.4
67.88756	1.6
69.03420	14.1
69.07051	7.9
70.06583	27.6
71.04984	22.1
71.63165	2.5
72.08137	4.6
73.02908	6.7
79.05479	20.0
81.03421	14.3
81.07046	52.7
83.04982	4.4
83.08624	8.2
84.04492	2.3
84.08136	11.6
85.02899	16.2
85.06528	17.1
86.09699	13.8
87.04454	10.0
91.03940	2.6
91.05466	15.3
93.07034	22.7
95.04977	2.6
95.08595	42.1
96.08137	1.8
97.02872	5.4
97.06514	6.6
97.10149	4.4
99.04447	3.3
99.08070	4.5
101.06033	3.8
103.03953	1.8
103.05488	1.8
103.20662	1.4
105.07022	12.8
107.04942	3.3
107.08585	19.5
109.02870	3.0
109.06491	3.1
109.10133	23.3
110.07121	1.6
110.09690	1.6
111.04461	3.3
111.08065	2.8
113.99794	1.5
114.09158	2.0
115.03898	8.1
117.06985	2.0
119.08558	11.5
120.08108	8.4
121.02825	1.5
121.06419	2.6
121.10128	47.4
123.08063	2.4
123.11697	11.0
125.09621	4.4
127.03909	6.2
129.05479	3.2
129.06961	1.5
129.10211	4.8
129.96269	1.4
130.06473	2.6
130.08615	1.5
131.08528	2.2
133.10143	9.4
135.08038	2.0
135.11684	16.6
136.07527	1.6
137.02295	2.9
137.09650	4.4
137.13243	6.1
138.05447	4.1
138.09117	2.6
139.11163	5.8
143.08607	2.5
145.04967	4.1
145.10118	4.0
147.11687	9.1
149.09669	2.7
149.13258	5.1
151.36839	1.6
152.98926	1.6
153.01793	3.0
153.12735	3.0
157.12183	1.9
159.11623	2.1
161.13223	5.5
163.03937	2.0
163.11139	3.2
163.14856	2.1
165.01743	2.4
165.09036	3.1
165.12708	2.6
166.05005	4.3
166.08633	4.4
168.13881	2.2
171.11649	1.7
174.18279	1.6
177.16350	4.1
181.12274	3.6
196.13318	3.5
201.05466	3.6
203.17929	25.7
210.14835	2.6
211.13345	1.7
213.16397	3.3
221.18956	17.1
229.04935	4.3
231.17290	3.6
233.09464	2.2
239.11873	2.0
239.20029	25.4
247.06136	1.8
249.18484	2.8
256.16623	1.5
257.04453	3.6
267.11179	2.3
267.19519	24.4
285.12265	4.7
285.17258	3.6
285.20541	58.0
303.04956	100.0
303.13303	20.7
303.21753	4.7
304.05307	8.6
313.11633	1.9
337.21204	1.6
422.30005	5.1
447.17398	2.0
465.18384	3.5
465.24692	7.2
466.19730	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	465.102
Annotation	Quercetin-3-O-beta-D-galactoside
Peak:m/z	Relative Intensity
53.03924	0.3
55.01852	0.6
57.03424	0.8
59.04974	0.2
61.02913	1.5
65.03942	0.2
68.99769	0.6
69.03415	3.7
69.67625	0.5
69.68050	0.4
70.06595	0.1
71.04971	0.3
73.02891	0.5
81.03398	1.7
83.01340	0.2
85.02889	11.0
87.04432	0.3
91.03925	0.6
93.03391	0.3
95.04931	0.3
97.02876	3.4
99.04435	0.5
109.02868	1.3
111.00788	0.8
117.07016	0.1
121.02866	0.9
123.04448	0.2
127.03900	2.1
137.02319	3.2
137.03389	0.2
145.04919	2.0
145.06241	0.1
145.06461	0.1
149.02322	0.4
153.01796	3.9
155.04897	0.2
159.04320	0.1
161.05946	0.3
163.03873	0.6
165.01797	2.2
166.02605	0.2
173.05981	0.5
179.03339	0.1
183.02864	0.9
183.04437	0.3
187.03854	0.4
191.03407	0.2
195.02908	0.3
201.05424	1.8
202.05957	0.2
213.05396	0.1
219.02861	0.1
219.06448	0.1
221.68646	0.1
228.04175	0.1
229.04921	4.5
230.05379	0.2
246.82793	0.1
247.05977	0.6
257.04419	2.8
274.04657	0.7
275.05386	0.3
285.03870	1.3
303.04929	100.0
304.05249	3.0
315.04724	0.2
340.86426	0.1
345.06055	0.4
465.10260	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.4455
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	0.6
55.05498	3.0
56.05017	1.1
57.07064	2.6
65.03922	0.4
67.05499	4.6
69.07068	2.5
69.58926	1.6
69.59346	1.0
70.06569	0.6
71.08621	1.5
72.04494	0.9
72.08141	1.7
74.06053	1.2
79.05480	11.9
80.05000	0.9
80.05790	0.5
81.07046	4.0
82.06548	1.9
83.08603	1.5
85.10176	0.7
87.04446	0.5
88.07606	0.6
89.06010	1.5
91.05458	1.4
93.05771	0.3
93.07044	2.9
94.06543	1.6
95.04954	1.4
95.08598	2.6
96.08112	0.9
96.81094	0.3
97.10155	0.9
98.09674	0.6
98.37025	0.3
100.07599	1.6
103.05450	20.6
104.05789	0.6
107.04939	10.7
107.08556	0.9
108.08098	1.9
109.08894	0.4
109.10126	1.2
111.08183	0.3
111.11632	0.4
112.07598	1.6
118.06521	2.7
118.08660	0.7
119.08543	0.5
120.08056	0.4
121.06505	2.2
121.10094	0.8
122.09662	0.6
124.07569	9.1
126.09157	0.7
131.03976	0.6
131.04900	5.5
132.08049	2.2
133.08684	1.2
133.10094	0.5
135.11685	0.3
138.09109	2.2
139.09904	1.8
140.10674	1.8
144.10162	0.9
145.10042	0.5
146.09628	4.1
149.05986	0.5
150.13840	0.3
152.10680	4.5
153.11360	0.5
160.11183	0.8
188.14343	0.5
192.17548	0.5
202.15851	0.4
216.17461	0.4
220.20604	1.2
226.21667	0.6
230.19160	0.4
234.22058	2.0
236.23784	0.5
238.21640	0.4
240.23274	0.5
246.14752	0.4
248.23717	1.6
250.21782	0.9
252.23201	0.5
254.24721	3.0
262.25171	0.6
264.23148	3.4
266.11691	0.4
266.24799	2.0
278.24719	8.4
280.26239	2.1
292.26443	0.5
294.14807	0.7
294.27805	0.7
316.29932	23.5
317.30182	2.0
344.33002	1.4
374.37729	2.8
388.39044	0.5
418.40442	2.5
420.41956	100.0
421.42352	4.4
422.43423	1.4
464.35144	85.4
464.44562	87.9
465.35529	14.8
465.44931	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.4094
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03913	0.3
54.44752	0.2
55.01866	2.7
55.05502	9.0
55.05757	0.3
56.04987	0.6
57.03433	3.1
57.07069	4.8
59.04955	0.8
65.03912	0.6
66.95418	0.3
67.05495	10.2
68.04994	0.4
68.05781	0.3
69.03396	0.6
69.07058	10.3
69.68494	1.9
70.06539	0.9
70.06923	0.2
71.08624	3.3
72.08109	0.8
73.02903	1.7
73.03220	0.3
79.05058	0.3
79.05478	4.2
80.05007	4.8
81.03419	1.4
81.07044	12.2
82.06540	0.8
82.07356	0.3
83.04962	0.4
83.08609	7.9
84.04465	0.5
84.08098	1.1
85.02852	0.3
85.06490	0.7
85.10158	1.4
86.06018	0.4
87.04456	9.9
91.05475	2.8
93.07037	5.1
94.06523	1.3
95.04939	0.7
95.07303	0.7
95.08592	9.5
96.08092	1.1
96.08668	0.3
97.06516	1.7
97.10143	5.1
98.06046	2.3
98.98450	16.8
101.05945	0.4
105.06973	1.3
107.08567	3.3
108.08060	1.3
109.02837	0.6
109.06500	0.3
109.08897	0.7
109.10141	4.7
110.03633	0.4
110.09660	0.6
111.08038	0.6
111.11670	1.3
116.99442	0.8
119.04923	2.4
119.08573	1.6
120.08053	0.3
121.06458	0.5
121.10121	4.5
122.09617	0.7
123.11679	1.9
124.07524	0.8
125.09541	0.4
125.13344	0.3
127.03845	0.4
129.05438	0.8
130.04951	0.6
130.08528	0.6
131.08551	0.7
133.10115	1.9
135.11647	3.2
136.07507	0.8
136.99947	0.9
137.09558	0.9
137.13205	0.9
139.11105	0.4
142.08673	0.3
147.04396	9.0
147.11594	0.4
148.04665	0.5
149.13251	1.4
150.09087	0.3
151.11096	0.8
151.14705	0.3
152.10678	0.6
155.01019	15.7
159.11613	0.6
164.14388	1.4
165.05412	1.4
166.08620	4.7
166.15863	0.4
169.12201	0.5
173.01941	0.3
178.15932	1.6
179.46150	0.3
180.10175	4.3
180.17459	0.5
181.10837	0.3
182.11765	0.6
183.13759	0.5
184.09621	0.9
187.14722	0.3
191.00011	0.5
192.17445	2.9
193.02480	0.4
194.11734	2.6
194.18932	0.5
195.12373	0.4
196.15869	0.3
198.11217	2.6
206.19067	1.8
208.13303	0.5
208.20570	0.8
211.03601	0.4
215.17915	3.6
219.21045	0.7
220.20578	2.3
222.22150	0.4
229.04659	1.3
233.18945	3.3
234.22134	2.3
236.23744	0.6
237.22054	3.1
239.23744	0.6
240.19489	0.4
248.23689	1.0
250.17963	0.3
251.20030	3.6
254.20967	0.5
264.19522	1.2
264.26895	0.3
265.21643	2.7
266.21384	0.4
278.21011	1.0
280.22577	0.6
282.24164	0.4
283.22626	1.1
292.22781	0.7
294.24341	0.5
296.45935	0.3
303.04968	0.7
306.24176	1.1
311.25763	34.7
318.31528	3.9
320.25882	1.6
322.27280	0.4
332.33044	2.4
334.34613	4.1
335.34827	0.4
374.37656	0.3
391.21991	0.4
418.36673	0.9
420.38306	78.3
421.38672	3.8
422.40036	0.5
447.24985	6.6
447.31134	0.4
464.40936	100.0
465.25916	0.3
465.41403	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	464.3517
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03902	0.5
55.05483	0.4
57.07050	0.3
67.05464	0.5
69.07032	0.3
69.35841	0.3
69.36249	1.4
70.06570	0.2
71.08585	0.1
72.04489	0.2
72.74377	0.1
74.06050	0.2
77.03844	0.3
79.05481	9.6
81.06998	0.4
82.06539	0.2
83.08582	0.3
84.04475	0.2
91.05435	0.5
91.19781	0.1
93.07028	1.3
94.06507	0.2
95.04953	1.0
95.08556	0.4
97.10149	0.2
103.05451	18.3
105.04507	0.2
105.07023	1.8
107.04936	10.5
107.07278	0.3
108.08104	0.2
109.10055	0.2
112.07561	0.3
118.06525	3.9
120.53577	0.1
121.06540	0.7
124.07561	1.4
130.06488	0.2
131.04912	6.0
131.07251	0.2
132.08072	1.9
133.08855	0.7
134.09560	0.2
138.09059	0.3
139.09880	0.2
143.45842	0.2
144.08047	0.2
146.09628	3.8
149.05949	0.3
152.10623	0.5
160.11205	0.7
174.12688	0.2
176.06969	0.3
188.07104	0.2
188.14282	0.3
190.05621	0.2
190.08569	0.5
202.15863	0.5
216.17386	0.5
218.19011	0.3
230.18959	0.6
244.20587	0.5
246.14745	0.2
246.22182	0.2
247.29074	0.2
248.23647	0.3
258.22150	0.2
264.23224	0.4
266.11703	0.8
266.24686	0.3
272.23752	0.2
274.17911	0.2
278.24698	0.6
280.13196	0.3
288.19485	0.2
294.14896	0.8
302.20966	0.2
316.29932	26.0
317.30301	0.6
344.32986	0.2
374.37830	0.2
418.40762	0.2
420.36765	0.4
420.42038	10.5
464.35165	100.0
464.44687	9.4
465.35513	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2681
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	4.4
57.03422	2.0
57.41363	1.0
67.05161	1.6
67.05494	20.6
69.03406	1.6
69.07046	3.5
71.62949	1.3
79.05483	8.9
81.03393	1.9
81.07042	20.7
83.04973	1.0
83.08592	3.2
85.02863	1.0
85.06552	1.3
89.03886	5.0
91.05454	8.8
93.07030	6.9
95.04961	1.7
95.08592	17.9
97.06499	1.3
97.10152	2.1
105.07001	5.7
106.11211	1.2
107.04967	1.0
107.08569	4.4
109.10136	9.7
115.05435	1.2
117.03354	14.8
117.06994	2.6
119.08565	5.3
121.10120	6.7
123.11685	5.5
129.07005	1.8
131.08571	3.8
133.10117	6.2
135.04359	2.1
135.11656	4.8
136.91115	1.2
137.09598	1.9
143.08562	2.6
145.02824	45.6
145.10136	4.9
147.04395	1.3
147.11681	2.0
149.05972	8.2
149.13181	1.9
151.11142	3.5
155.10701	1.5
157.09972	1.4
159.11687	2.8
163.03879	2.7
169.12230	1.2
173.13239	1.3
177.05441	100.0
178.05795	1.3
186.05484	2.3
191.17964	1.3
195.06487	30.7
195.11697	1.1
195.13583	1.4
196.83252	1.1
215.17943	5.6
233.18951	4.1
251.19983	11.5
287.05402	2.5
336.33777	1.0
342.95831	1.2
353.24741	2.1
371.25674	5.5
389.26889	3.4
445.29520	6.9
463.30524	9.8
471.92508	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.2499
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09287	0.3
53.03934	0.5
55.07148	0.3
56.05025	0.6
57.03430	0.4
59.90551	0.3
61.02924	1.0
67.05489	0.6
68.99762	0.4
69.03425	2.2
69.07068	0.5
69.97618	1.3
70.06578	2.6
71.04961	0.4
72.08134	0.9
75.05553	0.4
81.03408	1.4
81.07050	0.4
83.06117	0.4
84.04498	0.7
84.08122	1.3
85.02893	5.1
86.09692	100.0
87.00797	0.4
87.04462	0.6
87.05592	1.5
87.10021	1.5
91.03954	0.4
91.05499	0.4
91.85703	0.4
92.93260	0.3
93.03343	0.4
93.07037	0.6
95.08591	0.6
97.02867	1.8
97.06496	0.5
98.09699	0.3
99.04450	0.3
101.07127	6.6
103.05477	0.6
104.07096	1.1
105.03369	0.9
105.47372	0.4
106.03632	0.3
107.04918	0.5
107.08527	0.3
109.02882	1.0
111.00822	0.4
112.11245	1.4
113.07120	1.0
115.04997	2.1
120.07224	0.8
120.08087	13.9
121.02859	0.4
121.08421	0.4
127.03909	1.9
129.06583	20.6
129.10205	0.5
130.06978	0.5
131.04897	0.6
136.07535	0.5
137.02348	1.5
141.06561	5.3
143.11774	14.3
145.04970	1.0
145.06398	0.4
152.55750	0.4
153.01851	1.8
155.11775	0.6
158.09216	0.4
165.01860	0.8
166.08617	6.7
169.13344	1.5
171.11279	3.3
183.02953	0.5
183.11220	0.4
186.08713	18.4
197.12866	1.3
200.13928	3.3
201.05516	0.8
210.12433	0.7
221.11746	0.5
228.13416	2.6
229.04973	2.5
231.11249	0.4
254.14941	1.8
257.04404	1.2
267.15778	0.5
271.17606	40.0
272.17957	1.4
274.04843	0.6
278.32761	0.4
279.16949	4.0
285.03979	0.7
287.18011	0.4
299.17096	17.8
300.17487	0.8
303.04944	49.6
336.19241	1.0
347.20776	0.5
393.21085	0.4
403.19977	0.5
415.17484	0.3
418.24454	1.2
419.79935	0.4
446.23734	1.1
464.18527	0.6
464.24493	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.3516
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.5
55.05493	0.5
57.07047	0.9
64.59133	0.2
65.99151	0.2
66.93817	0.2
67.05498	1.1
69.07042	0.5
70.34269	0.2
71.08608	0.2
72.08127	1.0
79.05480	10.5
80.17696	0.2
81.07033	1.3
81.07451	0.2
83.08613	0.4
88.48114	0.2
89.25502	0.3
91.05438	0.6
93.07023	1.5
94.06506	0.3
95.04935	1.1
95.08572	0.6
98.09644	0.2
98.20752	0.4
100.07612	0.3
103.05450	18.4
105.07005	2.2
107.04939	11.2
107.05519	0.2
107.05678	0.3
107.07339	0.3
109.10150	0.5
118.06513	2.6
118.08639	0.5
119.07413	0.3
121.06457	1.1
121.10139	0.2
124.07562	1.0
130.06534	0.2
131.04903	6.3
132.08076	2.2
133.08801	0.7
144.10158	0.7
146.09625	4.6
149.05957	0.4
152.10701	0.6
160.11191	1.0
174.12727	0.4
188.14261	0.5
190.08731	0.4
190.15939	0.3
202.15862	0.4
216.17372	0.6
229.65489	0.3
230.19046	0.6
244.20613	0.4
248.23891	0.3
264.23236	0.4
266.11786	0.4
278.24808	0.7
280.13235	0.6
280.26382	0.3
282.64438	0.2
290.02032	0.2
294.14786	1.0
308.16528	0.3
316.29932	25.7
317.30350	0.5
332.19479	0.2
418.40649	0.5
420.42145	9.8
464.35165	100.0
464.45282	6.6
465.35464	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	463.1376
Annotation	Unknow
Peak:m/z	Relative Intensity
55.16777	0.9
56.15923	0.8
57.22522	1.0
58.16039	1.0
62.12737	0.8
67.05486	2.1
71.17796	2.0
79.05473	1.2
81.07048	2.6
90.22390	0.8
91.05467	1.6
93.07011	0.9
115.05445	1.2
116.06168	0.9
128.06219	8.2
129.06972	14.1
131.04877	2.1
131.08546	3.2
135.08060	1.0
140.90208	1.0
144.05672	2.7
147.08023	2.7
155.06010	1.0
157.06427	1.7
157.07550	1.4
159.08018	12.5
172.05148	8.4
173.06039	2.1
185.05977	2.8
187.07510	53.5
188.07843	1.9
200.04665	14.7
203.03374	5.1
204.03685	2.2
205.05003	1.4
205.08612	2.5
215.06982	100.0
216.04164	10.6
216.07307	2.4
217.04820	1.4
231.06476	17.7
233.08034	91.7
234.08417	2.4
245.08020	1.0
287.05359	1.4
343.09506	1.2
373.06061	1.1
399.12329	1.3
403.10971	1.9
427.11761	1.4
430.10608	1.2
445.12827	7.6
463.13785	58.0
464.14078	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	463.138
Annotation	Artoindonesianin C
Peak:m/z	Relative Intensity
52.07030	0.4
55.01870	0.4
55.05476	0.8
55.94986	0.4
67.05462	1.5
69.03394	0.5
69.07024	1.2
70.06541	1.2
70.93559	1.2
78.63100	0.4
79.05456	1.3
81.03381	0.8
81.07005	1.2
83.08624	0.4
84.04496	0.4
84.36549	0.4
90.46795	0.4
91.05435	3.0
93.06997	1.1
95.08623	0.6
97.10116	0.6
103.05433	0.7
105.06963	0.9
107.04884	1.2
107.08556	0.5
110.07111	0.6
111.63161	0.4
115.05399	1.0
116.06202	1.1
117.06987	0.8
119.08540	0.8
121.10119	0.5
127.05458	0.4
128.06200	8.3
129.06985	14.9
131.04887	2.6
131.08539	3.7
133.10085	0.5
135.08055	0.6
141.06955	1.2
143.04886	0.5
143.08607	0.5
144.05663	2.3
145.06476	2.2
147.08052	2.9
151.07520	0.5
153.06909	0.5
155.04866	0.9
155.06010	1.0
156.05623	0.8
157.06401	1.6
157.07579	1.3
159.04358	0.6
159.08031	14.1
161.05942	2.3
163.07518	0.6
169.06398	0.6
171.04367	1.2
171.08023	0.6
172.05151	7.0
173.02310	1.5
173.05913	2.8
174.03085	1.2
175.07501	1.4
185.05862	2.6
186.06638	0.6
187.07506	43.8
188.04626	0.7
188.08073	1.5
189.05457	1.0
189.09030	1.7
193.04895	0.8
195.05406	0.4
197.05962	0.6
199.07516	10.5
200.02765	0.7
200.04642	10.6
200.07671	0.5
201.01793	0.7
201.05301	0.7
201.09039	1.4
203.01448	0.5
203.03346	8.8
203.06923	2.8
205.04924	2.0
205.08553	1.1
211.07515	0.5
213.05423	1.2
215.06985	92.2
216.04140	43.7
216.07126	2.8
217.04814	4.8
227.06982	15.8
229.05029	0.7
229.08627	0.9
231.06480	48.7
231.09819	3.6
232.06757	1.5
233.08032	32.7
234.08321	1.3
241.08572	1.0
245.08046	8.3
246.08514	0.5
247.09590	14.6
259.09613	49.6
260.10043	2.0
263.54138	0.5
271.13315	1.0
285.09161	0.5
287.05447	0.5
297.08884	0.5
313.08466	0.7
315.10141	0.6
325.08453	0.8
327.09979	0.9
339.10065	0.6
341.07877	0.9
341.11557	0.4
342.08652	0.5
343.09576	0.8
352.07245	0.7
353.08029	0.5
354.08771	0.5
355.09549	1.0
356.10486	0.6
366.08380	0.5
367.09711	1.0
369.07538	1.2
369.11597	0.7
371.09219	1.0
384.09723	1.3
385.10455	0.7
394.08310	0.5
397.06863	0.5
399.12082	2.3
401.13873	1.6
412.09271	1.9
413.10306	0.9
415.08032	1.5
417.13452	2.6
419.14914	0.8
427.11642	3.1
430.10474	3.4
431.11072	2.7
435.14267	1.3
445.12790	15.3
446.12845	0.8
463.13797	100.0
464.14200	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	463.0861
Annotation	Kaempferol-3-Glucuronide
Peak:m/z	Relative Intensity
50.93200	0.2
53.54332	0.2
55.01869	0.2
55.05492	0.2
57.03424	1.0
62.14985	0.2
68.99778	0.5
69.03403	0.5
69.72357	0.6
69.72778	0.5
70.06566	0.6
71.01334	1.6
72.08112	0.3
73.02902	3.2
75.04444	0.2
79.05479	0.4
79.10313	0.2
81.07050	0.2
82.94110	0.2
83.01300	0.2
84.08124	0.4
85.02888	8.0
85.06564	0.2
86.09666	0.9
91.05458	0.3
93.07028	0.2
95.01321	1.2
95.04983	0.2
97.02860	0.8
99.00793	0.7
101.02340	0.5
103.03924	0.8
104.05330	0.2
105.03366	0.3
107.04948	0.3
109.02808	0.3
111.00786	0.6
113.02345	3.2
117.66352	0.2
121.02836	2.4
127.03874	0.2
131.03381	2.3
133.02812	0.5
135.04430	0.2
137.02315	0.6
137.09593	0.2
141.01801	1.6
145.06454	0.3
147.04381	0.6
153.01793	3.7
157.06511	0.4
159.02870	1.9
165.01810	1.6
171.04326	0.2
183.02884	0.6
185.05968	0.5
189.05482	0.2
213.05432	1.2
217.13667	0.2
231.06496	0.6
240.85213	0.2
241.04893	0.8
258.05145	1.3
259.05933	0.3
286.04675	0.5
287.05438	100.0
288.05759	2.5
301.06989	0.7
380.70959	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1376
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05482	0.4
57.99321	0.4
67.05472	1.2
69.48479	0.4
69.48795	1.0
69.49109	1.1
69.49405	0.9
69.52493	0.6
69.52940	2.5
69.53434	0.8
70.06535	0.5
77.09144	0.4
78.90118	0.4
79.05463	1.0
81.03393	0.7
81.07023	0.8
91.05482	3.1
91.05964	0.6
93.06990	0.5
95.04922	0.8
95.08560	0.8
103.05400	0.5
107.04924	0.8
110.07144	0.5
115.05425	1.5
116.06190	1.0
117.06992	1.2
119.08562	0.9
128.06201	8.3
129.06982	12.4
131.04916	2.4
131.08551	3.6
131.41106	0.4
133.06415	0.5
141.06934	1.0
143.08540	0.9
144.04680	0.4
144.05682	2.5
145.02792	0.7
145.06396	2.2
147.08022	3.1
148.05217	0.6
155.04854	0.6
155.05957	0.6
156.05647	0.7
157.06441	2.2
157.07599	1.3
159.08038	11.2
161.05969	3.5
168.79082	0.4
169.06425	0.6
171.07956	0.5
172.05159	6.5
173.02309	1.4
173.05925	2.5
174.03148	0.8
175.07480	1.6
181.06410	0.7
184.05159	0.5
185.05962	3.1
187.07516	40.9
188.07864	1.0
189.05428	0.7
189.09027	2.6
199.07503	12.0
200.04655	10.1
201.05359	1.4
201.09111	1.5
203.03365	9.9
203.07010	3.0
205.04900	1.2
205.08519	1.0
209.11339	0.4
211.07442	0.7
212.08051	0.5
213.05368	1.2
213.09108	0.5
215.06992	82.2
215.45049	0.4
216.04146	41.6
216.07126	2.4
217.04803	3.3
226.06210	0.6
227.06981	18.2
228.07361	0.5
229.08539	1.1
230.05684	1.0
231.06483	49.1
231.10202	1.2
232.06834	1.4
233.08044	41.9
234.08403	1.2
239.94197	0.5
241.08531	1.3
245.08066	11.1
247.09605	8.0
259.09622	56.6
260.10123	3.3
297.09070	0.6
310.09885	0.5
313.08536	1.1
314.09286	0.6
323.06912	0.4
324.07761	0.5
325.08609	0.7
327.10022	0.9
340.07086	0.5
341.08142	1.1
343.09610	1.2
354.08957	1.0
355.05740	0.8
355.09619	1.2
357.11279	0.7
366.08710	0.6
367.09586	0.7
369.07397	2.1
370.08279	0.6
371.09003	1.4
379.05887	0.4
383.09006	0.6
384.09991	0.9
386.11356	1.4
387.08188	1.0
394.08383	0.7
397.07074	1.3
399.12375	2.7
401.13916	1.8
402.10797	0.6
412.09460	1.5
413.10037	0.8
415.08041	1.6
417.13190	1.9
419.14868	1.1
427.11703	3.2
430.10367	3.3
431.11090	1.4
445.12766	16.7
446.13150	1.3
463.13809	100.0
464.14209	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	462.2259
Annotation	Unknow
Peak:m/z	Relative Intensity
53.91958	0.5
55.01851	1.6
55.05503	2.4
56.05027	6.0
57.03424	1.1
57.07068	2.2
58.99575	11.3
61.01131	0.6
67.05164	0.7
67.05494	10.7
68.05009	1.4
69.06716	0.6
69.07056	8.1
70.06551	0.8
70.63663	1.4
73.01125	1.0
74.00643	2.8
76.02214	23.0
76.03983	1.7
79.05478	3.0
80.04985	0.7
81.07043	15.1
82.06554	1.0
83.06087	1.7
83.08622	2.7
84.04491	14.6
85.01108	1.2
85.10161	0.5
86.00641	4.2
86.99032	4.9
87.02682	4.4
88.02192	2.2
91.05471	1.2
93.07041	2.4
94.06551	0.9
95.04945	0.7
95.08593	16.6
96.08125	0.5
97.01080	1.0
97.06498	0.6
99.02692	0.7
99.05535	0.8
101.00592	0.5
101.04209	1.2
102.05535	3.5
105.06994	1.4
107.08561	1.4
109.06491	0.7
109.10133	1.8
112.03913	2.0
113.04211	0.5
114.03754	1.2
114.05517	0.7
115.02097	0.6
116.01654	20.5
116.02474	1.0
116.05285	0.8
119.08570	1.1
121.10081	0.7
128.05244	0.5
128.14420	0.6
129.06580	2.3
130.04964	5.9
133.10162	0.5
134.04529	0.6
135.11642	0.6
137.13211	1.9
142.03200	2.2
142.04985	0.9
143.02728	1.2
143.08868	1.9
144.01118	7.1
145.06044	1.3
152.14308	0.5
153.12743	0.9
154.15889	7.6
155.14282	2.8
161.13264	1.1
162.02171	18.8
164.14319	0.7
166.15938	0.7
169.10396	2.0
170.02661	1.0
171.11980	0.8
178.15891	1.1
179.03351	0.9
179.04825	9.4
181.01950	0.5
183.11996	0.6
186.13071	3.8
186.14864	1.8
187.05324	0.5
188.03719	0.5
189.03287	1.8
195.12003	0.9
198.91991	0.5
212.14632	16.3
212.16464	8.8
213.13039	3.8
215.04808	0.8
230.15707	12.6
233.05902	1.7
245.05867	0.7
266.17477	1.9
272.13144	4.3
298.14590	0.8
308.09097	1.7
315.17307	100.0
316.17609	1.6
333.18329	2.1
341.18951	1.4
369.18347	4.2
387.19370	5.5
444.21765	2.5
462.22659	6.2
462.28696	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.3319
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56790	0.5
55.05497	0.7
56.05005	0.6
59.56005	0.4
60.04502	1.0
66.43834	0.4
68.05025	0.5
69.03410	1.4
70.06582	60.9
70.22788	0.5
71.06927	0.7
71.62414	0.7
72.08148	3.9
74.06067	0.6
81.03371	0.6
81.07049	0.8
84.04493	2.3
84.08144	3.3
85.02886	1.6
86.09696	6.0
87.10032	0.6
89.06010	0.5
91.05818	0.7
91.41962	0.5
95.04925	0.6
96.08130	0.7
97.02849	0.7
102.05509	1.3
105.07035	0.7
107.04934	13.9
108.93979	0.7
110.07117	0.7
112.11227	1.0
117.03339	0.5
120.04456	2.0
120.08043	0.5
121.06515	0.7
124.11259	0.6
127.03897	0.8
127.08635	0.5
129.10220	1.9
131.08421	0.6
133.06493	4.6
135.08075	0.8
136.06152	1.5
138.05519	0.9
145.06424	1.0
147.08047	0.5
154.08701	0.6
167.05542	0.7
188.79463	0.5
203.10776	0.6
218.15375	18.7
222.28502	0.5
235.53322	0.6
236.16415	100.0
237.16725	2.4
247.13171	1.5
265.14294	5.1
314.62683	0.6
331.16422	0.9
359.02844	0.8
429.09283	0.6
463.18198	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.3034
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	6.4
55.10711	0.8
56.05020	2.0
57.03410	1.1
57.07060	2.0
58.15733	0.7
58.23703	0.8
61.00828	1.2
61.01138	21.1
65.03908	1.0
67.05492	19.3
69.07057	5.6
69.50037	2.5
69.50462	4.0
72.04491	3.5
73.02883	1.0
78.03784	7.2
79.05479	2.5
81.07043	16.1
83.08602	9.5
85.06516	2.7
86.06049	24.8
86.09664	1.1
87.02673	4.1
88.02203	5.8
93.07035	2.4
95.04937	1.6
95.08590	37.7
97.10144	2.5
98.06032	5.2
99.05567	1.0
101.04222	1.0
102.03747	13.4
103.02143	2.7
105.07015	1.3
109.10133	21.5
110.55525	0.8
113.05956	2.4
115.08675	4.5
120.04791	8.3
120.77383	0.8
123.11709	4.7
124.07562	2.3
125.07068	2.4
130.08636	1.0
131.06334	5.1
132.04785	5.0
141.06613	0.8
142.08609	8.6
146.17967	0.8
149.07413	28.7
156.17458	1.0
158.52560	0.9
159.05876	1.4
165.16368	1.4
168.17429	1.8
171.12007	4.0
182.19186	0.9
184.09608	3.8
194.19009	3.2
199.15099	8.8
211.18054	0.8
216.17770	1.3
220.04523	0.9
222.98143	0.7
242.19313	5.5
243.17741	13.7
287.21567	1.2
297.19827	0.8
313.23019	34.5
314.23566	0.8
331.24069	100.0
332.24280	3.7
341.22485	1.2
372.46826	1.0
419.15045	0.8
443.29312	47.5
444.29657	2.4
461.33633	2.4
489.95969	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.3256
Annotation	Stoloniferone G
Peak:m/z	Relative Intensity
50.78680	0.5
51.02362	0.7
53.03929	2.0
55.01849	1.4
55.05256	1.0
55.05500	14.0
57.03423	2.3
57.07063	1.5
59.04981	2.4
65.03925	2.0
67.05493	68.1
69.03426	0.6
69.07052	6.7
69.28098	1.3
69.28504	5.6
71.04969	2.2
72.58884	0.5
77.03880	0.6
79.05479	30.9
81.07044	26.3
83.04965	1.1
83.08596	6.7
85.02894	0.8
85.06528	2.5
87.04433	0.6
91.05466	18.2
93.07028	30.6
95.04949	4.0
95.08591	15.3
97.06498	1.9
97.10147	3.1
99.08073	2.0
103.05472	0.7
105.04491	0.9
105.07017	14.2
107.08583	10.7
109.06516	1.1
109.10139	44.2
111.08063	2.9
115.05458	0.6
117.07003	5.5
119.08566	16.2
121.10130	18.4
123.08089	1.1
123.11652	1.4
125.09620	1.9
126.84464	0.5
128.06248	1.2
129.06927	2.7
131.08546	10.4
132.44084	0.5
133.10094	11.9
135.08011	0.8
135.11662	6.2
137.09599	2.4
139.11162	1.2
141.06934	1.0
143.08551	3.3
145.10091	11.1
147.11661	7.0
149.09601	0.9
149.13243	1.6
155.08543	1.9
155.10626	1.8
157.10095	4.2
159.11656	8.0
161.09599	0.9
161.13246	2.8
163.11087	0.8
169.10135	2.3
171.10323	1.1
171.11610	4.8
173.11711	14.2
173.13252	5.4
175.14803	1.6
181.10158	1.0
183.10274	0.7
183.11629	3.4
185.13275	3.1
186.76254	0.6
187.14815	2.6
189.12785	0.8
197.13268	2.1
199.14825	1.7
211.14879	1.2
213.16385	2.3
215.14275	0.6
215.17889	4.3
225.16351	1.2
227.17902	1.3
229.14214	3.4
231.17323	1.1
233.19005	2.1
239.18027	1.1
243.17484	0.8
253.19496	0.9
257.19006	1.5
271.20575	1.8
289.21713	1.5
301.21765	0.6
323.27383	0.7
331.32050	1.3
341.24554	0.6
349.23819	1.7
351.26743	6.4
363.25241	2.6
369.27817	9.9
371.29330	0.9
375.34598	1.0
377.26941	1.2
387.28931	2.0
405.30258	0.9
443.31461	9.2
443.83795	0.6
461.32532	100.0
462.32935	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	461.2374
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62336	1.0
51.46305	1.2
52.75883	1.0
53.03936	10.2
54.60507	1.0
55.01860	12.5
55.05499	20.5
57.03429	9.2
57.07048	4.3
59.04992	2.3
61.02915	8.4
63.78827	1.0
67.05496	11.4
68.99791	6.0
69.03416	56.7
69.07056	44.3
70.06570	5.1
70.33025	1.7
70.33374	4.1
71.01342	1.1
71.04983	13.2
71.08629	1.6
72.08122	1.4
73.02905	13.1
75.36810	1.0
79.05486	7.6
81.03405	50.0
81.07043	25.8
83.01324	2.2
83.04968	12.8
83.08607	8.4
84.04528	2.0
84.08124	3.5
85.02889	100.0
85.06528	19.7
86.09697	6.1
87.00814	31.6
87.04436	1.2
91.03936	2.6
91.05444	3.4
93.07030	14.8
95.04974	1.7
95.08589	38.1
97.02872	30.9
97.06509	8.5
97.10149	11.0
99.04435	23.5
99.08075	31.2
100.11230	3.5
103.03883	2.3
105.01850	26.6
105.07008	4.6
107.04922	3.9
107.08576	22.4
109.02856	52.0
109.10146	13.0
111.08064	3.8
111.11697	8.2
113.09603	11.2
115.03934	1.3
117.01830	4.7
119.08537	2.6
120.08086	1.5
121.09306	1.6
121.10130	27.0
123.11680	10.2
125.09634	7.8
127.03895	92.8
127.11193	2.1
127.12276	1.2
129.01817	7.2
129.12752	1.9
131.08510	1.5
133.10107	5.1
135.11658	16.7
137.05965	1.5
137.09550	1.6
137.13234	15.7
139.11174	8.2
145.04941	29.7
147.02899	5.8
149.05960	1.3
149.13240	11.8
151.14766	6.5
151.30655	1.2
153.12718	17.1
157.12189	2.3
159.01532	1.6
159.02853	31.3
159.11606	1.5
161.13251	1.6
177.12881	2.0
177.16359	70.0
178.16698	1.6
182.15338	2.7
189.03941	2.6
193.05032	1.7
195.13731	10.7
195.17410	74.4
201.12624	1.2
201.16428	1.1
210.14879	1.9
213.03860	6.9
213.18459	81.0
214.18863	1.3
219.17255	1.6
226.14420	1.5
231.04967	21.4
237.18495	2.4
249.05879	1.4
252.31438	1.3
276.38275	1.1
299.09085	5.1
299.14661	1.6
425.21594	1.8
452.82559	1.8
461.24005	23.2
461.33591	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.201
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52775	1.5
53.03918	5.2
55.01856	3.1
55.05486	6.4
55.93516	1.4
57.03412	3.1
60.04508	3.7
61.02886	1.8
67.05481	13.6
68.99758	1.5
69.03411	14.6
69.07055	10.5
69.24815	1.3
70.06573	11.4
71.01326	1.7
71.04976	3.5
71.08602	2.5
71.57351	1.5
71.57791	1.5
72.08106	2.1
73.02882	2.6
78.03385	1.4
79.05480	17.5
81.03397	15.5
81.06575	1.8
81.07038	23.7
82.06567	1.5
83.04927	2.5
83.08594	7.2
84.04487	2.4
84.08125	7.4
85.02888	35.1
86.09671	4.1
87.00808	15.6
91.05449	6.1
93.07021	29.4
95.04938	4.9
95.08594	14.3
97.02873	14.2
97.06508	4.3
98.09626	1.5
99.04441	4.6
100.11224	4.3
105.01830	15.3
105.07009	3.3
107.04936	1.8
107.08567	22.2
109.02859	22.9
109.06496	2.5
109.10117	4.0
111.08047	2.2
117.06992	2.0
119.08567	2.0
120.08044	3.3
121.06452	2.7
121.10107	11.5
123.07993	1.8
123.11703	1.6
125.09619	2.1
127.03890	33.9
129.01813	1.5
129.10214	4.0
133.10068	8.0
135.11635	2.2
137.05902	1.8
138.09047	2.2
139.07483	3.7
141.09056	2.3
145.04880	4.3
147.11633	1.8
149.13228	100.0
150.13582	2.8
159.02875	2.9
159.11644	4.3
167.14273	9.4
177.12732	19.6
182.15466	2.7
189.03856	1.5
195.13766	47.6
195.17499	1.8
213.03903	3.2
213.14815	27.1
226.14507	2.0
229.81573	1.6
229.91151	1.6
231.04922	5.1
306.56454	1.7
331.51929	1.6
373.11703	1.6
389.55286	1.9
443.31967	4.8
461.17871	1.6
461.32916	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	461.201
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52775	1.5
53.03918	5.2
55.01856	3.1
55.05486	6.4
55.93516	1.4
57.03412	3.1
60.04508	3.7
61.02886	1.8
67.05481	13.6
68.99758	1.5
69.03411	14.6
69.07055	10.5
69.24815	1.3
70.06573	11.4
71.01326	1.7
71.04976	3.5
71.08602	2.5
71.57351	1.5
71.57791	1.5
72.08106	2.1
73.02882	2.6
78.03385	1.4
79.05480	17.5
81.03397	15.5
81.06575	1.8
81.07038	23.7
82.06567	1.5
83.04927	2.5
83.08594	7.2
84.04487	2.4
84.08125	7.4
85.02888	35.1
86.09671	4.1
87.00808	15.6
91.05449	6.1
93.07021	29.4
95.04938	4.9
95.08594	14.3
97.02873	14.2
97.06508	4.3
98.09626	1.5
99.04441	4.6
100.11224	4.3
105.01830	15.3
105.07009	3.3
107.04936	1.8
107.08567	22.2
109.02859	22.9
109.06496	2.5
109.10117	4.0
111.08047	2.2
117.06992	2.0
119.08567	2.0
120.08044	3.3
121.06452	2.7
121.10107	11.5
123.07993	1.8
123.11703	1.6
125.09619	2.1
127.03890	33.9
129.01813	1.5
129.10214	4.0
133.10068	8.0
135.11635	2.2
137.05902	1.8
138.09047	2.2
139.07483	3.7
141.09056	2.3
145.04880	4.3
147.11633	1.8
149.13228	100.0
150.13582	2.8
159.02875	2.9
159.11644	4.3
167.14273	9.4
177.12732	19.6
182.15466	2.7
189.03856	1.5
195.13766	47.6
195.17499	1.8
213.03903	3.2
213.14815	27.1
226.14507	2.0
229.81573	1.6
229.91151	1.6
231.04922	5.1
306.56454	1.7
331.51929	1.6
373.11703	1.6
389.55286	1.9
443.31967	4.8
461.17871	1.6
461.32916	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	461.1225
Annotation	Unknow
Peak:m/z	Relative Intensity
64.50964	0.7
67.05477	0.6
70.06570	0.7
71.73515	0.6
85.41032	0.6
91.05445	1.0
98.21606	1.0
101.27065	0.6
105.06970	1.5
108.02088	0.8
120.02061	1.9
121.06492	1.4
121.10072	1.0
131.04852	0.8
132.02069	1.0
132.39049	0.7
145.02832	2.9
148.01541	0.7
148.11301	0.6
159.04448	1.3
161.05965	1.8
173.02322	7.7
174.03067	2.9
175.03839	2.3
178.02670	1.0
187.03882	1.9
188.00908	0.9
188.04541	0.9
190.02611	0.9
199.07463	1.2
201.01833	1.0
203.03372	65.6
204.03714	0.8
205.04980	2.4
215.07002	2.6
216.04155	100.0
217.04617	2.3
231.06496	93.6
232.06822	1.2
245.04442	1.0
259.07495	1.9
269.09625	1.3
282.06830	0.8
283.07382	1.3
284.08307	1.7
285.08984	1.4
287.06931	3.4
295.07483	0.9
297.05447	1.3
298.06451	0.8
299.06985	3.1
300.07910	1.0
301.08609	1.3
311.07083	2.4
312.07697	1.5
313.04840	1.1
313.08557	2.2
314.09335	1.4
315.06512	7.4
315.09906	1.0
318.05313	1.5
323.07037	1.3
325.04956	2.5
325.08389	1.4
326.05630	3.9
327.06458	4.2
328.07013	0.9
329.04248	0.8
329.08142	1.9
330.08896	2.6
331.09671	0.8
339.06592	2.2
340.07349	5.7
341.04352	1.2
341.08005	8.0
342.05154	1.6
342.08813	2.3
343.05972	14.2
343.09857	1.4
345.07437	1.2
345.11130	4.7
353.04419	1.0
354.05295	1.1
355.05798	1.8
355.09695	2.9
357.07501	1.9
358.08264	6.0
359.08868	0.8
367.05875	1.1
368.06702	10.3
369.07547	5.8
370.08322	7.2
371.05435	34.4
373.10681	27.7
374.11078	1.0
375.12344	1.0
383.09189	1.2
384.09781	1.7
385.07220	1.3
386.07794	42.3
387.08237	1.7
399.12225	5.3
401.10150	74.1
402.10553	1.9
419.11157	3.7
425.10049	1.0
443.11127	1.8
461.12265	85.1
461.41531	0.9
462.12674	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	461.1223
Annotation	Unknow
Peak:m/z	Relative Intensity
58.89949	0.5
70.51402	1.0
70.51821	1.3
86.12606	0.5
125.74648	0.5
128.06186	3.1
129.06972	3.3
131.04843	0.7
131.08540	0.8
145.06458	0.7
159.08003	1.8
160.05275	0.6
165.75868	0.5
172.05141	1.1
173.02280	0.9
174.03059	2.9
175.03795	0.6
175.07486	1.2
185.05943	0.8
187.03870	2.2
187.07433	3.1
188.04622	1.4
201.01776	1.4
201.05402	1.9
203.03343	1.6
203.06993	3.3
205.04820	0.6
213.05467	1.4
215.06976	1.1
216.04144	91.5
217.04610	2.0
227.03346	4.8
228.07686	0.9
229.05045	0.6
230.05750	0.8
231.06483	100.0
232.06844	1.3
242.05743	4.5
243.06485	7.9
245.08116	5.2
257.08051	34.6
258.08557	1.2
295.69669	0.6
341.07819	0.5
357.07562	1.4
369.07147	1.2
370.08252	0.8
372.06152	0.9
383.09579	0.6
385.06876	2.5
387.08734	1.2
397.06677	0.6
399.08557	1.6
400.09357	1.4
402.11035	0.8
410.08005	0.9
413.06351	2.7
417.13260	2.0
428.08853	3.3
443.11206	10.0
446.09818	1.1
461.12244	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	460.217
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	11.6
55.05504	23.0
57.03420	13.5
62.38959	10.3
67.05486	27.0
69.07071	14.0
69.86318	51.5
70.06587	93.3
71.04993	15.9
72.08144	60.2
73.08480	12.5
77.28248	8.4
79.05478	15.5
81.03419	32.2
81.07038	17.9
84.04494	19.0
84.08130	53.4
85.02895	44.5
85.06520	10.5
86.09696	97.7
91.05476	81.1
93.07042	22.1
95.04967	15.8
95.08588	19.5
97.02873	24.1
97.06486	12.9
99.04440	16.3
103.03929	24.5
103.05459	13.1
105.07014	12.7
107.04935	20.9
109.02864	19.4
109.06477	11.3
110.07144	13.8
116.07117	9.3
117.03440	10.3
119.08647	9.7
120.08101	28.9
123.11645	15.7
127.03899	40.8
129.10257	22.3
131.08572	10.6
133.10092	15.6
135.08067	18.4
137.05933	14.2
138.05528	10.5
145.02840	36.5
145.04958	33.8
147.04414	14.4
149.05988	15.8
163.05960	11.9
166.12259	27.7
173.12947	11.0
177.05472	100.0
194.11742	12.5
195.10135	20.2
203.07097	12.6
212.12749	46.0
216.25720	9.8
231.06523	14.8
307.10376	13.2
329.14911	33.9
379.89316	9.9
460.21112	12.0
461.15198	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	461.1224
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05476	1.3
69.07039	0.6
69.76964	0.3
71.32915	0.7
75.86240	0.3
76.02209	0.3
79.05504	0.4
81.07016	1.2
84.04469	0.9
91.05450	0.5
93.06986	0.5
95.08562	1.1
107.08569	0.3
109.10098	0.6
121.06426	0.4
122.02686	1.1
128.06180	0.5
129.06944	0.4
133.10097	0.3
137.05907	0.4
145.02834	0.8
145.06400	0.4
159.07974	0.5
160.05257	0.4
161.05928	0.7
171.04448	0.3
173.02330	0.8
174.03058	2.5
175.03860	0.4
185.05878	0.5
187.03873	1.5
188.04625	0.4
201.01770	1.3
201.05399	0.8
202.02654	0.3
203.03374	1.4
203.06984	1.1
205.04884	0.4
212.04594	0.3
213.05449	1.3
216.04149	93.6
217.04622	2.6
227.06990	0.3
229.04860	0.6
231.06488	100.0
232.06812	2.1
243.06528	2.8
251.06979	0.3
257.04437	0.5
257.08023	0.3
298.06207	0.3
314.21387	1.3
329.07947	0.4
331.24075	0.4
341.08032	0.6
353.07965	0.4
354.08835	0.4
355.09647	0.4
357.07590	0.9
363.07123	0.3
369.07623	0.8
370.08191	0.6
371.08850	0.7
373.07089	0.3
381.07739	0.4
382.08401	0.5
383.09018	0.7
384.05869	0.5
384.10153	0.5
385.07004	2.6
386.07504	0.5
387.08237	0.5
396.06360	0.4
398.03638	0.5
399.08420	1.5
399.32217	0.6
400.09387	1.2
401.10208	0.3
402.10971	0.9
410.07980	0.8
411.08578	0.6
412.09244	0.3
413.06570	2.4
415.11685	1.0
417.13306	1.2
428.08945	2.4
443.11215	10.5
444.11832	0.5
446.10092	0.5
449.11563	0.3
450.89120	0.3
461.12271	20.2
461.26135	0.7
461.28946	0.8
462.12619	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.3581
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11943	0.5
55.05489	1.2
57.07052	1.3
67.05469	1.2
69.07047	1.1
70.97595	0.4
71.08620	0.8
71.63280	0.5
71.63720	0.8
72.04501	6.6
74.09705	0.9
74.78573	0.5
76.88530	0.5
79.05457	1.0
81.07019	2.2
83.08582	1.0
83.96632	0.5
84.02389	0.5
84.54935	0.5
85.10182	0.9
87.04441	2.2
89.05989	1.9
91.05453	0.9
93.07011	1.2
93.84034	0.5
95.08559	2.0
97.10115	0.6
105.06985	1.5
107.07321	0.8
107.08549	1.2
109.10104	1.5
118.06522	7.9
119.08523	1.0
121.06480	1.2
121.10110	1.2
122.06786	0.7
123.08044	0.6
131.07245	0.5
132.08073	4.8
133.08720	2.3
133.09953	0.8
135.08000	0.5
144.08060	5.8
145.10098	0.7
146.09613	10.4
147.11641	0.6
151.07507	6.1
158.09608	1.1
159.07883	0.5
160.11137	1.4
165.09123	0.7
171.09123	0.7
172.11156	3.5
177.11108	0.5
189.10201	3.6
191.10643	2.9
203.03363	1.4
203.11748	1.6
217.13364	3.2
218.18971	0.6
230.18993	1.0
231.06416	1.1
231.14938	0.7
244.20497	2.0
246.22029	1.0
264.41663	0.6
272.23428	0.7
309.22314	1.2
315.17960	1.6
316.18188	2.2
316.29880	1.4
344.33075	39.5
345.33310	2.1
365.63824	0.6
370.34616	15.6
371.34824	1.5
372.35999	0.9
373.36539	5.1
374.37589	1.8
397.35767	3.1
413.35156	7.2
414.33704	1.4
415.36774	31.1
416.37036	2.3
423.25024	0.7
441.25891	0.8
441.34531	4.0
442.33047	22.3
443.33105	1.4
459.35550	100.0
460.29871	0.4
460.35944	7.5
460.41400	1.7
467.23495	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.2015
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	8.8
59.30118	0.7
69.03413	1.7
69.39094	6.5
69.39520	1.6
70.85488	0.8
72.08144	100.0
85.02892	2.5
95.99117	1.0
98.21412	1.9
114.89339	1.5
116.89091	4.5
118.08636	86.7
127.03880	2.9
137.76132	0.8
145.04999	1.7
155.01526	0.8
156.27945	0.8
167.13383	0.7
186.86375	0.9
212.85333	0.8
425.09448	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2217
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.7
55.01846	1.1
55.05501	4.5
57.07065	1.6
64.77220	1.0
67.05497	8.7
69.03418	6.7
69.07050	5.6
69.50203	2.5
69.50623	5.9
71.04993	2.4
79.05491	1.9
81.03405	1.6
81.07045	10.7
82.03625	0.8
83.04962	6.1
83.08600	2.8
84.03853	0.9
85.02895	5.5
85.06519	2.4
87.00797	2.5
88.17908	0.9
91.05450	1.2
93.07045	5.3
95.08591	18.3
97.02869	1.5
97.10158	1.2
98.86636	0.8
99.04434	1.2
99.08096	1.8
105.01860	1.7
105.07030	4.4
107.08580	12.0
109.02860	1.8
109.06491	5.6
109.10139	63.1
110.10502	0.9
111.08063	2.0
113.09575	0.9
119.08561	23.0
121.10142	8.2
123.08043	9.2
123.11702	5.6
125.09573	1.4
127.03896	3.3
129.09694	1.1
133.10124	12.7
135.11676	58.4
136.12007	1.1
137.09586	11.4
149.13226	5.5
151.11185	5.9
151.14832	7.8
153.12675	1.0
165.16344	1.8
175.14799	25.7
176.15173	1.0
193.15851	37.7
194.16107	1.1
211.16901	100.0
212.17310	2.3
268.83478	1.0
332.49075	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2218
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34776	0.6
51.41348	0.6
51.78819	0.7
53.03928	1.1
55.05505	4.5
57.03421	1.1
57.07055	2.6
59.04981	1.6
67.05498	9.0
69.03423	6.1
69.06779	0.6
69.07061	7.7
70.82007	2.6
71.04967	2.4
75.54111	0.7
79.05469	1.7
81.03429	1.6
81.07049	13.1
83.04969	6.9
83.08610	5.9
85.02898	5.2
85.06512	2.4
86.09734	1.0
87.00816	2.4
91.05466	2.1
93.07054	6.3
95.04974	0.7
95.08597	21.4
97.02873	1.9
97.06503	1.6
97.10161	1.9
99.04427	1.2
99.08067	3.1
105.01822	0.8
105.07023	4.3
107.08575	15.0
109.02863	2.0
109.06506	6.7
109.10141	73.0
110.10431	0.8
111.08071	2.0
113.09623	1.4
119.08566	23.3
121.10126	8.5
123.08053	8.4
123.11709	6.2
127.03918	3.7
133.10103	13.7
135.11676	65.7
136.11978	1.1
137.09599	12.2
139.11159	2.2
145.04921	1.1
147.11697	1.0
149.13248	4.9
149.62648	0.7
151.11188	6.5
151.14809	9.5
153.12752	1.7
165.16414	3.1
167.37581	0.6
175.14803	31.5
193.15854	42.8
194.16158	1.0
211.16901	100.0
212.17249	2.2
231.05104	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2222
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92118	0.6
53.03936	1.4
54.69823	0.5
55.01848	0.8
55.05297	0.5
55.05506	6.1
56.05014	0.5
57.03414	1.5
57.07051	2.3
58.01548	0.5
59.04986	1.9
61.02909	0.6
67.05168	0.9
67.05499	13.5
68.99761	0.6
69.03421	7.7
69.06705	0.9
69.07059	11.3
70.06567	2.1
71.04982	3.6
71.62920	1.3
72.96050	0.6
73.02913	0.9
79.05489	4.2
81.03402	3.8
81.07047	15.3
83.04970	6.9
83.08599	5.6
84.04478	1.2
84.08122	1.9
85.02897	7.7
85.06512	2.3
86.09673	1.9
87.00838	2.7
87.08072	1.0
91.05463	4.6
93.07027	6.9
94.84084	0.6
95.04964	4.1
95.08597	23.3
97.02874	3.1
97.06514	2.5
97.10162	1.9
99.04443	1.5
99.08075	2.7
103.05473	0.7
105.01851	2.0
105.07014	5.0
107.04912	1.6
107.08582	14.6
109.02877	2.6
109.06499	6.4
109.10142	70.4
110.10442	1.4
111.04401	0.8
111.08089	2.9
111.11709	0.6
113.09605	1.5
117.06992	0.8
119.04908	0.6
119.08568	29.5
120.08093	1.1
120.08906	0.7
121.06487	0.8
121.10128	9.6
123.08047	10.9
123.11706	6.9
124.07504	0.7
125.09609	1.2
127.03906	5.2
127.11176	1.1
129.07021	0.7
131.08528	0.9
133.10104	16.5
134.10431	1.0
135.11673	64.5
136.12025	0.9
137.09601	14.1
138.10150	0.9
139.11157	1.9
140.07005	0.5
145.04913	1.7
145.10068	1.3
147.11667	2.1
149.13274	5.3
151.11165	8.0
151.14781	9.3
153.12704	2.4
159.02850	1.2
165.09071	1.1
165.12695	2.2
165.16376	2.3
168.96281	0.6
173.52802	0.6
175.14804	28.0
176.15137	0.7
191.14247	1.2
193.12221	3.1
193.15858	41.0
194.16171	1.3
207.14014	0.6
211.16905	100.0
212.17197	3.7
225.10226	1.9
263.39981	0.5
284.11349	0.9
365.11801	0.6
384.35016	0.6
385.23648	0.6
404.08887	0.6
459.13538	1.3
459.21671	1.1
459.27335	3.0
465.07755	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1856
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	13.9
55.01860	6.4
55.05508	19.7
57.03425	8.3
57.07071	2.9
58.79639	2.0
61.02910	5.4
65.03929	9.0
67.05495	57.1
68.99776	4.1
69.03419	54.3
69.04961	2.1
69.07066	18.2
69.38881	5.3
69.39284	17.7
70.06582	7.3
71.04977	8.4
71.08624	29.6
72.08146	4.7
73.02895	3.4
73.18648	2.0
74.81210	2.0
77.03948	2.5
79.05485	50.0
81.03409	80.4
81.07041	50.8
83.04953	10.7
83.08604	15.8
84.08125	5.4
85.02895	39.1
85.06536	5.7
86.09675	6.3
87.00826	13.5
91.05463	43.0
93.03390	20.5
93.07025	26.6
95.01311	6.6
95.04950	17.7
95.08585	28.9
97.02875	20.6
97.06515	8.5
98.21466	3.4
99.04448	15.1
99.08073	46.9
105.01869	8.8
105.03381	7.1
105.07025	43.5
106.07380	2.7
107.04963	7.4
107.08565	17.2
109.02865	52.7
109.06483	11.6
109.10136	17.9
111.04428	14.1
111.08052	5.1
111.11707	2.6
115.03948	2.3
115.05451	2.9
117.07016	6.9
119.04909	2.2
119.08570	36.2
120.08108	2.7
121.06532	4.0
121.10097	13.3
123.04452	14.2
123.08070	7.2
123.11678	7.5
125.05962	2.9
125.09599	3.4
127.02950	4.3
127.03900	89.2
129.01851	3.3
129.10197	2.6
131.08536	7.3
132.10159	3.2
133.06471	6.8
133.10100	11.8
135.04425	2.5
135.08057	3.9
135.11656	11.3
137.05943	8.6
137.09633	11.3
137.13257	26.5
145.04921	7.4
145.10138	4.4
147.08040	2.2
147.11668	100.0
148.11972	3.4
149.05959	3.2
149.13228	13.8
150.13538	2.5
151.07510	4.5
151.11198	12.3
153.88409	2.2
157.10117	3.1
159.11734	2.4
163.11131	2.4
165.12750	39.1
169.12224	6.3
171.06538	3.9
175.11172	39.3
175.14803	10.4
184.07362	6.6
191.07007	5.3
191.14394	3.6
193.12210	63.0
193.15837	13.8
209.15344	8.3
210.15657	7.8
211.13269	28.2
211.17033	30.9
213.03960	9.0
231.05009	23.1
236.13617	2.8
238.60333	2.2
239.12756	8.9
301.14142	2.9
319.15317	3.1
379.17422	10.3
405.15317	23.9
423.16452	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	459.1791
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01844	0.9
55.05473	2.0
56.05019	1.0
59.92303	0.6
61.01134	6.4
61.02898	0.9
67.05473	1.2
68.99747	1.0
69.03408	3.3
69.07018	2.8
70.06579	14.4
71.04951	1.1
71.06849	0.7
71.62880	1.2
72.04510	6.9
72.08148	11.5
74.06047	1.1
75.76718	0.7
78.03781	11.5
81.03378	2.2
81.07019	1.5
83.04952	0.7
84.04457	3.0
84.08125	6.0
85.02891	6.8
85.06512	1.9
86.06027	1.7
86.09693	20.4
87.04420	1.3
87.09970	1.3
88.02205	4.1
88.03980	0.9
91.05447	3.5
91.99255	0.7
94.83040	0.6
95.04939	1.0
97.02853	2.5
99.05550	1.4
102.03755	16.7
102.05524	1.8
103.02135	2.0
105.06969	1.4
107.04922	3.4
107.08569	0.9
109.02865	1.3
111.04399	1.9
114.03674	1.0
115.03876	0.9
115.08656	1.0
116.96706	0.7
118.08622	1.0
119.04906	3.2
119.08516	0.7
120.04772	1.3
120.08096	2.3
123.04401	0.7
124.07504	1.0
125.09561	0.9
127.03883	2.1
129.10185	2.6
131.06363	13.9
132.04768	10.3
133.04939	1.2
133.06070	1.0
135.04427	0.8
136.07547	1.6
137.05978	2.2
139.03880	14.4
142.08588	2.4
145.04947	2.1
145.06166	0.6
146.05234	1.3
147.04398	1.4
149.07417	100.0
159.05797	1.9
163.03880	11.6
163.06010	0.7
165.05460	0.9
166.08521	0.9
175.05431	1.1
181.04916	4.4
183.14923	0.7
184.09660	1.6
185.16519	2.5
193.04971	1.4
199.18129	0.9
200.49278	0.8
211.05962	2.1
211.13019	1.1
213.15984	2.4
215.13968	1.0
217.13728	0.7
229.12048	1.1
231.16898	0.9
243.11395	1.1
247.12981	2.5
261.12634	27.9
262.71555	0.8
278.57654	0.8
279.13705	2.2
329.11798	2.7
373.18491	2.6
392.21896	0.9
415.19232	3.8
441.16763	4.0
453.36679	0.8
459.18240	29.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1852
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57451	1.4
53.03936	6.8
53.44208	1.5
55.01857	4.4
55.05499	3.4
57.07069	14.5
61.02911	3.9
65.83080	1.4
67.05491	11.8
68.46294	1.5
68.99754	2.0
69.03416	13.9
69.07048	8.7
70.06573	4.9
70.71178	3.3
70.71574	2.9
71.04980	2.1
71.08594	2.0
73.02914	2.1
79.05473	26.0
81.03403	13.4
81.07047	21.7
82.26149	1.5
83.04945	4.8
83.08598	3.6
84.08121	2.7
85.02893	28.0
85.06521	17.0
86.09686	5.4
87.00816	9.9
91.05449	13.2
93.07023	11.7
95.04969	3.9
95.08598	11.0
97.02864	13.9
97.06505	3.4
99.04449	6.1
105.01839	15.4
105.07003	16.5
107.04942	4.1
107.08586	7.8
109.02854	18.1
109.06493	15.7
109.10148	4.5
111.25438	1.5
117.01754	1.7
119.08553	8.8
121.10122	3.9
123.04401	27.3
123.08019	2.9
123.11665	16.7
125.05952	5.2
127.03885	23.7
129.06963	1.7
131.08542	1.7
133.06493	2.5
135.11685	2.3
137.05975	4.9
137.09579	2.6
145.04953	6.3
145.10107	2.9
147.11641	25.8
147.12747	2.1
149.13297	2.4
159.02907	3.6
160.00978	1.9
165.09097	6.7
165.12738	6.9
175.11169	7.5
181.82343	1.8
193.12206	100.0
207.15511	1.6
211.13245	66.7
211.15242	3.4
211.16931	2.3
213.03851	2.5
231.05006	4.9
367.22778	2.4
459.16333	10.4
459.27295	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	459.1125
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16755	2.9
55.05490	3.2
57.03413	2.1
61.02911	4.8
68.99789	7.5
70.06577	25.6
71.04963	2.4
71.18522	3.4
71.18863	4.3
72.08146	46.3
74.06076	5.6
81.03403	3.8
84.04482	3.1
84.08142	11.5
85.02888	26.4
86.09695	38.0
87.00819	5.9
87.05570	2.3
90.76080	1.9
97.02876	3.1
102.05516	2.9
103.03924	3.3
109.02806	3.3
109.19573	2.0
110.07157	4.0
120.08139	3.2
121.02821	4.5
123.04427	9.0
127.03875	4.8
129.01854	4.9
129.10252	4.1
139.03893	5.5
139.13135	2.2
147.02882	3.0
148.06013	7.6
151.03868	15.9
153.01845	3.4
153.54604	2.2
161.05971	4.3
163.03860	7.0
165.01874	6.2
165.05457	3.7
171.14914	6.0
175.03818	2.4
177.01799	27.2
179.03394	14.3
180.03712	5.3
182.04875	3.3
183.02942	3.6
185.16467	6.2
187.03883	3.0
189.01857	3.6
189.03893	3.5
189.05479	12.6
191.03349	16.9
191.82683	2.3
193.04933	16.2
195.02846	38.3
195.96747	2.6
199.14412	4.8
201.05339	2.3
203.06935	3.5
205.04961	35.0
206.05672	5.5
207.02763	3.0
208.02794	4.4
213.16054	6.8
215.03326	5.4
217.01447	3.2
217.04903	41.7
219.02910	24.2
227.06952	4.0
229.04932	2.8
230.05597	2.7
231.06499	17.0
233.04410	4.5
235.05971	100.0
243.02812	5.7
245.08061	7.3
247.12961	11.1
253.07016	30.7
255.06564	5.3
259.05978	40.1
261.03873	28.5
261.14462	8.8
273.07541	3.6
277.07114	13.7
283.05927	8.9
301.07010	48.9
312.22714	5.6
319.08096	23.6
327.08755	4.4
337.09207	2.9
405.08096	24.3
423.09171	22.3
441.10321	8.7
459.18317	68.9
459.31946	2.8
482.65955	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	458.4345
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93098	0.8
50.95895	0.2
58.66010	0.2
59.47815	0.2
61.78726	0.2
69.29131	2.3
69.29431	0.2
87.04453	4.8
91.05502	0.2
98.20790	0.5
106.06532	0.4
107.07291	0.5
118.06521	6.8
120.08094	0.3
130.06488	0.4
131.07307	0.5
132.08067	4.3
133.08896	1.1
144.08083	0.3
146.09615	8.7
151.09875	0.3
160.11195	1.6
162.09102	5.2
172.11201	0.2
174.09148	0.6
174.12750	0.5
176.10680	5.4
177.11496	0.6
188.14326	0.8
190.12241	9.8
202.15903	0.6
204.10245	0.4
204.13791	1.9
216.17462	0.4
218.11810	0.2
218.15392	0.8
230.19070	0.3
232.16899	1.1
244.20607	0.4
246.18520	0.6
246.22078	0.5
258.22165	0.4
260.20129	0.7
260.23682	0.4
272.23715	0.6
274.21689	0.2
274.25275	0.6
286.25287	0.3
288.23187	0.3
288.26917	0.3
302.24753	0.5
316.26294	0.6
330.27948	0.7
332.29419	0.2
344.29498	0.3
344.33206	1.2
345.33096	0.2
372.36191	16.7
373.36621	0.9
414.40857	8.9
415.41129	0.2
440.42084	0.4
458.44226	100.0
459.38950	0.9
459.44824	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	458.4344
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74104	0.3
56.20440	0.2
57.18444	0.3
57.35902	0.3
67.34896	0.3
69.07045	0.8
70.07878	0.5
70.08279	0.9
73.02886	0.5
73.06540	0.4
77.90732	0.3
82.24143	0.3
87.04449	5.1
98.20863	0.4
107.07315	0.7
116.86759	0.3
118.05679	0.5
118.06521	10.7
119.07328	0.4
120.08051	0.6
129.06955	0.4
130.06474	1.0
131.07289	0.5
132.07159	0.5
132.08069	6.5
133.08853	2.1
134.09686	0.4
144.08070	1.0
146.09615	14.5
147.10014	0.4
152.04201	0.3
160.11195	2.6
162.09113	9.4
174.09117	0.8
174.12723	0.6
176.10666	5.8
177.11375	1.1
188.14307	0.9
190.12219	10.3
202.15842	1.3
204.10298	0.5
204.13829	2.0
213.99516	0.3
216.17429	0.8
218.15294	0.9
218.19005	0.6
225.47346	0.3
230.18974	0.4
232.13260	1.3
232.16933	1.0
244.20557	0.9
246.14795	0.7
246.18480	0.8
246.22099	0.8
258.22137	0.7
260.16422	1.2
260.20038	0.6
272.17477	0.3
272.23627	0.8
274.17993	0.5
274.21475	0.5
274.25192	0.9
286.25281	0.4
287.50937	0.3
288.23245	0.6
288.26602	0.5
302.24698	0.4
316.26215	1.0
330.27798	0.7
344.33035	10.6
345.33365	0.6
372.36172	18.1
373.36575	1.1
414.40881	9.4
415.40894	0.5
431.80673	0.3
458.38882	38.9
458.43399	100.0
459.39645	3.9
459.44077	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	458.3984
Annotation	Unknow
Peak:m/z	Relative Intensity
66.34982	0.2
69.03370	0.2
70.16006	0.2
71.45183	0.2
75.88680	0.2
85.53042	0.2
87.04455	10.7
90.04544	0.2
98.21474	0.6
100.62685	0.2
106.06503	0.3
107.07314	0.4
118.06525	8.2
119.07335	0.3
120.08066	0.3
130.06442	0.5
131.07281	0.5
132.08063	4.3
133.08873	1.2
134.09584	0.4
144.08044	0.4
146.09630	8.7
160.11183	1.7
172.77782	0.2
174.12714	0.5
188.14317	0.8
201.34200	0.2
202.15889	0.5
204.10124	0.6
215.23567	0.3
216.17435	0.5
218.11670	0.2
218.18996	0.3
230.18983	0.5
232.13388	0.9
232.20534	0.2
244.20518	1.0
246.22163	0.7
258.22137	0.6
274.25320	0.5
372.36194	39.7
373.36496	1.6
441.36423	0.2
458.39856	100.0
459.40213	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	458.3986
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01834	0.2
55.05492	0.2
59.04975	0.2
69.07047	0.6
69.59107	1.1
73.02888	0.7
73.06538	0.4
87.04453	1.4
91.66292	0.1
105.61375	0.2
106.06542	0.1
107.07308	0.3
110.43658	0.1
118.05691	0.3
118.06520	5.7
120.08060	0.3
130.06503	0.4
131.07275	0.3
132.08066	2.9
133.08846	1.0
134.09631	0.2
144.08057	0.3
146.08467	0.3
146.09628	6.4
158.29083	0.2
160.11209	1.1
162.09140	0.3
174.12764	0.5
176.10686	0.2
188.14291	0.6
190.12151	0.3
202.15862	0.7
216.17445	0.4
218.19077	0.4
230.19080	0.3
232.13300	2.0
244.20534	0.4
246.14886	1.0
246.22055	0.4
258.22052	0.2
260.16452	1.8
260.23602	0.2
272.23615	0.2
274.17966	0.3
274.25146	0.2
288.26941	0.2
316.22531	0.2
344.33066	16.5
345.33295	0.7
358.27176	0.2
358.34564	0.3
370.34644	0.8
372.36194	4.7
414.40781	0.4
458.39706	100.0
459.40106	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	458.3984
Annotation	Unknow
Peak:m/z	Relative Intensity
58.30108	0.2
69.62963	1.5
70.02552	0.2
86.59331	0.2
87.04456	11.5
93.05735	0.3
93.95423	0.2
94.06575	0.2
102.68411	0.2
106.06496	0.2
107.07280	0.5
118.06524	7.0
120.08038	0.5
130.06494	0.5
131.07266	0.5
132.08067	5.8
133.08835	1.3
133.86142	0.2
138.35478	0.2
144.08035	0.4
146.09619	10.2
160.11171	1.5
174.12779	0.5
188.14265	0.9
192.32970	0.2
202.15892	0.8
204.10115	0.4
216.17424	0.8
218.11719	0.7
218.19017	0.7
230.18936	0.4
232.13364	1.2
244.20561	0.8
246.22130	0.7
258.22116	0.5
272.23788	0.4
274.25223	0.5
363.80402	0.2
372.36185	46.4
373.36600	1.4
441.56012	0.2
458.39853	100.0
459.40161	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	458.3106
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62718	0.4
54.30414	0.4
55.01839	1.1
55.05494	3.2
56.05022	0.8
57.03395	0.7
59.71372	0.5
62.06060	0.7
67.05513	3.0
69.03394	0.9
69.07057	17.8
69.59592	1.5
69.60008	3.2
70.06583	3.8
71.04976	1.2
72.08150	3.9
73.02880	0.5
73.06517	1.8
73.57448	0.6
79.05486	5.6
81.03394	1.2
81.07034	5.2
83.04948	0.7
84.04482	1.2
84.08094	2.4
85.02887	1.3
85.06506	1.3
86.06055	23.4
86.09660	1.9
91.05479	3.1
91.82539	0.5
93.07010	2.2
95.04939	1.3
95.08569	1.8
96.08105	5.3
97.06514	3.2
98.06026	1.8
98.09200	0.6
98.09681	6.6
98.20731	1.1
98.94427	0.6
100.07581	0.6
105.07023	3.0
107.08542	1.5
108.08106	2.7
109.06516	1.3
109.10139	1.3
110.07140	0.6
110.09663	0.9
114.09135	0.6
114.97836	0.5
115.07561	1.3
116.10715	56.5
117.11036	0.6
119.08531	3.2
120.08073	1.0
121.08870	0.6
121.10111	1.0
122.09599	1.6
123.08032	0.7
123.11657	1.1
124.07536	2.0
127.03843	0.7
129.07059	0.7
129.10165	0.8
130.04930	0.7
131.08464	0.7
133.10101	0.8
134.09572	0.7
135.10416	0.7
135.11635	0.6
138.09138	0.7
142.08621	6.7
145.10085	0.8
147.11635	2.5
151.11209	1.0
152.10683	0.9
157.10081	1.4
158.11633	0.6
159.10149	2.6
165.12677	0.7
170.15326	1.3
175.11227	1.2
176.14267	0.7
193.12144	0.9
194.15388	1.7
212.14386	0.9
212.16422	18.9
230.17479	100.0
231.17851	1.9
236.16316	1.0
243.07545	0.5
272.18460	1.6
344.24188	5.7
360.80835	0.7
440.30276	4.0
447.93478	0.6
458.31064	33.3
459.31985	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.3104
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	10.1
53.72036	2.7
54.37210	2.6
55.01862	19.6
55.05497	10.0
57.03429	6.5
57.07057	5.4
58.99054	2.6
63.05379	3.3
67.05491	48.7
69.03419	36.7
69.07058	11.1
71.04979	18.0
71.57819	4.9
73.02898	12.7
75.83604	2.9
77.91100	3.5
79.05476	37.0
81.03400	48.8
81.07036	52.8
83.08608	9.0
85.02898	21.8
87.04407	5.0
89.37809	2.7
91.05460	19.4
93.07040	33.2
94.07367	3.5
95.04932	3.6
95.08032	4.9
95.08590	44.3
97.02870	53.1
99.04435	67.8
101.02346	4.4
105.06993	17.1
107.08578	25.8
109.02860	40.7
109.10143	28.2
111.04424	13.1
117.07069	3.8
119.08579	13.2
120.96639	2.9
121.06451	3.2
121.10113	17.3
123.11700	12.0
127.03894	100.0
130.04974	7.4
131.08562	11.3
133.10123	9.7
135.11687	15.4
137.13225	4.6
145.04958	25.4
145.10091	6.2
146.09694	5.0
147.11659	9.7
149.13219	6.0
154.12518	3.0
159.11664	4.4
161.13258	8.3
173.13228	7.2
241.19229	3.7
243.21082	6.8
259.20566	7.2
261.22070	27.5
277.21481	7.9
279.22903	7.8
330.31497	30.7
345.17368	3.5
369.24133	4.1
387.25085	5.2
405.26395	8.2
423.27328	45.0
442.33014	3.9
444.91052	3.9
458.40082	4.4
459.24829	22.9
459.35587	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	458.3106
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	15.8
55.01861	6.4
55.05497	26.0
57.03426	7.3
57.07057	5.1
61.02918	4.5
67.05495	97.3
69.03421	63.0
69.07056	27.4
69.53172	11.9
69.53600	12.7
70.06577	3.1
71.04976	11.7
79.05479	77.9
81.03405	100.0
81.07039	99.0
83.04972	10.8
83.08604	11.5
85.02888	42.9
85.03360	4.3
85.06537	3.8
91.05463	59.6
91.05997	4.7
93.07027	85.0
94.83775	3.2
95.04958	15.5
95.08593	83.1
97.02889	43.9
97.06517	7.5
97.10154	6.1
98.20644	4.3
99.04444	12.3
100.21656	3.2
102.33530	3.0
103.03937	6.2
103.05441	3.2
105.07020	51.2
107.04911	14.2
107.08581	50.2
108.04474	11.3
109.02860	29.4
109.06517	8.0
109.10133	40.8
111.04432	14.0
111.08075	3.7
112.33984	3.2
116.06166	2.9
117.06990	23.6
119.08557	37.0
119.60683	2.8
121.06476	5.7
121.10130	52.9
123.08096	3.7
123.11678	15.6
125.09615	3.3
126.05521	4.6
127.03890	23.2
128.06230	5.1
129.07001	11.2
131.08548	38.7
133.06432	5.9
133.10107	30.2
135.08095	5.7
135.11674	30.3
136.11996	2.9
137.09616	6.0
141.06943	4.3
143.08530	13.0
145.06483	3.5
145.10078	34.0
147.04433	3.5
147.11668	28.0
149.09616	6.9
149.13234	16.8
151.07498	4.3
151.11166	3.4
155.08539	4.4
157.10132	13.8
159.08092	4.4
159.11696	24.3
161.09647	4.9
161.13177	14.3
163.11115	5.1
163.14799	5.7
165.09148	2.8
169.10165	6.6
171.07979	4.3
171.11624	15.0
173.13258	21.4
175.11151	5.3
175.14812	6.5
177.16405	3.6
181.10234	3.1
183.11642	5.2
185.09653	3.5
185.13264	10.4
187.14763	12.6
189.12672	4.3
195.11656	4.3
197.13269	4.0
199.11101	3.9
199.14886	7.9
201.16412	3.5
209.13239	5.9
211.14719	3.7
225.12746	3.2
235.13089	5.2
241.12128	3.4
243.21031	4.0
259.20621	6.5
261.22128	27.7
271.20526	3.2
273.22037	6.9
277.14371	9.3
277.21616	8.1
285.22083	5.6
289.21533	7.9
291.23193	8.1
295.15460	6.1
295.24432	3.7
301.21567	8.4
303.23199	15.9
313.21585	5.2
315.23215	8.3
319.22672	6.6
327.22949	7.3
335.18246	3.6
341.24753	14.4
345.24075	6.4
351.23245	17.6
352.28308	3.7
357.24252	4.1
369.24161	38.4
387.25238	35.5
398.18088	3.5
405.26254	46.7
423.27292	14.4
457.81528	4.5
458.32462	7.2
458.39413	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	457.2065
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.7
55.01866	1.6
55.05510	1.0
57.03432	1.2
57.07060	1.0
59.04994	0.5
61.02921	1.1
67.05498	1.9
69.03418	10.5
69.07063	1.5
69.39971	0.3
70.06107	1.2
70.06520	0.4
71.01357	0.4
71.04981	1.4
73.02907	1.4
76.49442	0.4
79.05489	1.3
81.03404	10.3
81.07042	3.3
83.04961	1.7
83.08618	0.5
85.02889	14.3
86.09679	0.5
87.00815	5.6
91.03954	0.6
91.05442	1.5
93.07013	1.6
95.04955	2.2
95.08600	3.5
97.02872	4.9
98.21401	0.5
99.04428	3.0
99.08093	0.9
105.01848	3.9
105.07021	2.6
107.08580	5.2
109.02866	6.2
109.06499	5.6
109.10150	2.8
111.08090	0.5
117.01843	1.0
119.08560	1.8
120.20804	0.3
121.06458	0.7
121.10118	8.5
122.07273	1.6
123.08041	3.5
123.11701	2.5
125.92341	0.4
127.03902	10.6
129.01863	0.7
131.08545	0.5
133.10057	2.4
135.08040	1.6
135.11674	1.2
137.09596	9.7
137.13226	0.7
143.08524	0.4
145.04967	3.0
145.10031	0.4
147.11667	1.8
149.09601	4.7
149.13243	4.6
151.11160	46.4
152.11482	0.5
159.02881	3.3
163.11148	0.3
163.14816	0.7
165.12730	29.2
166.13045	0.6
173.13219	1.3
175.07582	0.4
191.07054	0.4
191.10628	0.5
191.14287	4.6
193.15854	7.2
201.05548	0.4
209.15335	100.0
210.15698	1.8
211.49069	0.3
219.06496	1.2
227.54289	0.3
231.04883	1.5
241.08673	0.4
249.05881	0.3
259.09583	1.1
263.57077	0.3
277.10620	1.0
295.11691	3.6
319.49271	0.3
366.23535	0.3
456.83859	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.2662
Annotation	Unknow
Peak:m/z	Relative Intensity
61.87769	0.3
67.05488	0.5
71.62785	0.5
72.57716	0.4
81.07042	0.4
91.05460	0.4
98.98465	1.8
110.07137	0.4
118.06528	3.7
124.99985	7.7
131.08548	0.3
132.08096	2.1
133.08882	0.8
144.08064	7.0
146.09596	1.5
148.32925	0.4
158.09636	4.6
158.77621	0.4
159.10382	1.4
160.11211	1.3
162.09166	3.3
166.13609	0.3
172.11182	2.3
173.12000	0.4
176.10699	3.2
177.11440	0.9
178.21002	0.4
186.12761	1.3
188.14412	0.4
190.12267	2.0
204.13876	0.6
209.30618	0.3
227.60011	0.4
256.34641	0.4
260.23721	12.9
261.24017	0.5
286.25269	42.4
287.25613	1.4
304.26309	100.0
305.26672	3.7
384.22925	9.4
385.23553	0.4
385.65613	0.4
402.48459	0.3
457.93417	0.5
458.26593	35.7
459.26920	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2064
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.8
54.05302	1.0
55.01868	1.4
55.05494	3.7
62.56041	1.1
63.68260	1.1
67.05479	4.5
69.03426	9.8
69.07062	6.6
69.94376	6.8
71.04990	3.8
73.02912	1.4
79.05482	4.4
80.42313	1.1
81.03391	3.3
81.07057	8.6
83.04981	8.9
83.08600	3.6
85.02901	7.5
87.00822	3.0
91.05465	3.5
93.07027	5.2
95.04980	2.3
95.08595	18.7
97.02897	3.6
97.06515	3.6
99.08080	6.0
105.07017	6.4
107.04932	2.2
107.07861	1.7
107.08583	30.5
109.02872	4.0
109.06483	9.8
109.10147	16.3
117.07043	1.7
119.08561	4.2
121.06492	3.7
121.10131	30.8
122.07229	2.2
123.08042	3.2
123.11677	3.0
125.09617	11.8
126.04470	1.2
127.03912	4.0
129.01805	1.7
131.08551	4.2
133.10117	44.0
135.08025	13.1
135.11682	4.3
137.09593	28.8
139.11154	4.3
145.04877	1.2
145.10097	2.7
147.11653	7.7
149.09598	9.7
149.13246	19.4
151.11166	74.8
153.09082	2.8
158.10941	2.9
163.14816	15.2
165.12807	6.4
167.10738	1.3
173.13263	13.0
191.14290	100.0
192.14531	1.5
209.15341	94.1
210.15660	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	457.2056
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38085	0.5
51.59986	0.5
55.05501	1.4
60.31115	0.6
67.05488	1.7
69.03413	4.3
69.07050	1.4
69.57269	0.6
70.91125	0.5
71.06538	1.3
71.06882	0.7
73.11130	0.5
79.05477	4.5
81.03420	1.2
81.07032	5.9
83.04961	1.4
85.02866	1.6
87.00802	1.3
91.05453	4.1
92.06905	0.6
93.07000	3.1
94.75815	0.6
95.08575	1.5
97.02876	1.0
105.01828	1.2
105.07018	6.3
107.04924	3.3
107.08569	16.6
109.02840	1.2
109.06496	3.0
109.10135	5.0
115.05349	0.8
115.57238	0.5
117.06982	1.5
119.08552	2.3
121.06480	1.3
121.10123	8.7
122.07275	4.0
123.08062	0.9
126.62805	0.6
127.03914	2.8
131.08508	1.6
133.10100	100.0
134.10455	1.5
135.08022	7.5
135.11635	1.4
137.01942	0.6
137.09587	54.3
138.09950	1.2
145.04926	1.3
145.10103	1.5
147.11633	2.5
149.09590	1.3
149.13234	8.2
158.10905	1.6
163.04179	0.6
163.14824	1.4
173.13228	5.6
183.02641	0.6
191.14264	62.0
192.14622	1.2
209.15344	3.5
211.74216	0.6
231.04994	0.7
259.34604	0.7
295.92737	0.6
376.94623	0.6
377.14890	0.6
403.17319	0.7
421.52274	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1698
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	0.7
56.05023	0.9
57.03410	2.0
61.02898	0.7
64.48524	0.5
66.48650	0.5
69.03413	3.3
70.06579	13.8
71.04990	0.6
71.06885	0.7
72.08140	4.1
75.04457	2.3
75.39565	0.5
78.44786	0.5
79.05448	0.5
81.03363	0.8
81.07037	0.8
82.50321	0.5
84.04477	1.8
84.08131	8.5
85.02863	1.8
86.06068	0.6
86.09702	4.2
87.04452	0.6
91.05458	0.8
97.02891	1.2
99.04391	0.7
99.76604	0.6
100.80658	0.5
102.05518	1.0
105.07004	0.8
107.04933	0.7
109.02837	0.5
110.07130	2.0
115.05432	0.7
116.07084	1.6
116.53500	0.5
117.09095	1.0
120.08078	0.6
127.03908	1.5
129.06902	1.1
129.10229	2.1
133.06479	1.0
143.08540	0.7
144.05772	0.6
145.06412	1.4
147.04366	2.4
147.07980	0.9
151.03934	0.5
151.11122	1.3
156.10155	0.6
157.06454	1.2
157.09949	0.9
159.08012	1.1
161.05940	7.1
163.03844	2.1
163.07520	0.8
171.08031	1.0
173.05969	4.6
174.06816	0.6
175.07498	3.4
179.03401	1.1
185.05930	1.7
185.09610	2.0
185.16438	0.8
187.07478	1.9
187.11047	1.0
189.05435	26.7
189.09076	1.9
191.06982	2.7
198.06740	1.3
199.07472	3.3
201.05464	2.5
201.09047	0.8
203.06963	5.9
203.10559	1.1
207.06490	67.3
208.06807	1.4
213.05490	0.6
213.09061	10.9
215.06976	1.3
215.10606	1.8
215.13898	2.3
217.05017	1.3
217.08578	2.7
219.06473	7.4
221.04166	0.5
221.08076	6.8
223.05901	0.8
227.10184	1.2
229.08417	4.2
229.15425	1.5
230.15791	0.9
231.10115	6.9
235.05946	0.9
235.09680	0.9
237.07492	5.5
241.08542	21.4
242.08943	0.6
247.09572	8.5
249.11168	1.8
259.09613	51.6
260.09995	1.5
265.10721	1.9
277.00186	0.7
277.10660	36.0
278.10907	0.7
295.11707	100.0
296.11948	2.2
386.80939	0.5
413.22855	0.7
439.10568	0.7
457.16446	4.7
457.21890	1.9
457.27130	0.7
458.17456	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1698
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03424	1.9
61.02899	1.2
68.90337	0.8
69.03426	6.0
69.07040	1.1
70.06583	1.2
71.16595	1.9
73.02888	1.2
81.03397	2.2
85.02892	13.5
86.09686	1.4
91.05460	1.4
93.07025	0.9
97.02885	3.5
97.06544	1.0
99.04473	0.8
105.07039	1.8
109.02865	2.2
117.06981	1.0
121.10060	0.8
126.88271	0.7
127.03900	2.6
129.07018	1.5
131.61226	0.7
133.06458	1.2
133.10124	2.4
137.05952	2.1
145.04951	2.3
145.06480	3.2
145.10175	1.1
147.04385	10.2
147.08020	3.2
149.05983	1.8
154.55824	0.8
159.08069	1.0
161.05965	2.9
171.08020	1.2
173.05945	8.0
175.07524	11.8
179.07121	1.0
185.06009	0.9
185.09645	1.9
187.07599	0.9
189.05415	7.1
189.09085	1.4
191.07016	4.4
191.14345	1.9
199.07532	2.3
199.11394	0.9
201.05432	12.4
203.07045	2.0
203.10605	0.9
207.06496	6.5
209.11829	1.1
209.15358	1.6
213.05489	3.6
213.09056	4.7
215.10745	1.0
217.08624	1.4
219.06497	39.7
223.07524	1.2
228.07808	7.5
229.08553	1.8
231.06525	0.9
231.10136	4.1
241.08586	11.2
247.09622	1.4
259.09619	32.5
277.10678	30.8
295.11722	100.0
296.12085	2.4
349.00385	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1697
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31358	0.5
51.69879	0.6
53.03923	0.8
55.05492	0.8
57.03420	1.6
61.02916	1.0
66.93396	0.6
66.96800	0.6
67.04116	0.6
67.07200	0.6
67.35291	0.5
69.03422	6.1
69.07056	0.6
70.06583	1.3
70.35190	1.4
71.04963	1.2
72.70174	0.6
73.44146	0.6
79.05475	1.6
81.03395	1.9
81.07050	0.8
84.08144	0.7
85.02888	14.7
86.09677	1.8
87.00813	0.5
87.04436	1.0
91.05463	2.1
92.08723	0.5
93.07047	0.6
93.58849	0.5
95.04922	0.7
95.08575	0.8
97.02862	4.9
97.06500	0.8
99.04433	1.2
105.07011	1.6
107.04933	1.1
107.08587	0.9
109.02839	1.5
109.06486	0.6
109.10087	0.8
110.07097	0.7
117.06978	1.6
119.08559	1.2
120.08087	0.6
121.10151	0.7
127.03913	2.8
131.08562	0.7
133.06459	1.3
133.10089	2.2
134.03610	0.6
135.08031	0.9
137.05962	1.7
137.09616	1.4
145.04933	3.1
145.06418	3.3
145.10088	0.8
147.04382	10.3
147.08051	2.6
149.05922	1.3
151.07509	1.8
157.06430	0.9
157.10118	1.0
159.08023	0.7
161.05919	1.9
163.07426	0.5
165.12762	1.1
171.07967	0.7
173.05975	7.0
175.06038	0.7
175.07529	10.7
179.07022	1.0
185.05922	1.3
185.09622	1.5
187.07478	2.1
187.11122	0.6
189.05438	6.5
189.09052	1.8
191.07007	4.4
191.14218	2.0
195.08006	0.7
198.06729	0.9
199.07516	2.3
200.04617	0.8
201.05417	14.5
201.09027	0.8
202.05919	0.7
203.07008	1.2
207.06487	6.8
209.11658	1.5
209.15363	5.2
213.05464	3.1
213.09036	6.5
213.16736	1.0
215.07060	1.1
215.10641	1.2
217.08682	0.9
219.06497	36.3
220.06874	0.9
223.07506	0.8
228.07753	6.9
229.08603	2.5
231.06560	1.3
231.10072	4.4
233.08159	0.9
241.08563	13.5
247.09613	0.9
259.09610	34.6
260.09949	1.4
277.10657	29.7
278.11075	1.2
288.18039	0.6
295.11713	100.0
296.12091	2.8
388.79526	0.6
428.97867	0.6
440.21960	0.6
457.15359	1.2
457.29550	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1698
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44805	0.5
55.01836	0.7
55.05490	0.8
55.49236	0.4
56.05021	0.7
57.03422	0.8
58.37551	0.5
60.04513	0.5
69.03408	3.9
70.06574	14.5
71.04970	0.7
71.06908	0.7
71.57329	0.6
71.57664	0.6
72.08154	4.5
73.02908	0.5
75.04464	1.9
79.05487	0.7
79.45125	0.5
81.03392	1.2
81.07040	0.8
84.04485	1.6
84.08130	9.5
85.02904	2.7
86.09686	4.9
97.02893	0.9
99.04407	0.8
102.05520	0.6
105.07027	0.9
107.04956	1.0
109.02859	0.7
110.07156	2.6
116.07042	1.4
117.06950	0.6
117.09116	0.8
120.08073	1.0
127.03863	1.0
127.07559	0.5
129.06989	1.1
129.10205	2.6
133.06461	1.3
135.04347	0.7
136.07561	0.7
137.06006	0.7
143.08519	0.8
144.05672	0.6
145.06436	2.1
147.04359	2.3
147.07979	1.5
151.11168	1.2
157.06451	1.3
157.10039	0.6
159.08028	1.0
161.05940	8.0
163.03888	2.3
167.08510	0.6
171.07993	0.8
173.05891	2.5
174.06796	1.0
175.07524	3.8
177.05363	0.9
179.03365	1.2
185.05948	1.5
185.09554	1.2
185.16457	0.6
187.07552	2.0
187.11069	0.8
189.05429	25.7
189.08997	1.4
190.05766	0.9
191.06934	2.7
195.08078	0.7
198.06720	1.5
199.07483	3.0
201.05368	1.7
201.08954	1.0
203.06975	5.8
203.10661	0.9
207.06482	61.8
208.06831	1.9
213.05672	0.6
213.09058	11.0
213.15919	1.1
215.06953	1.0
215.10591	1.7
215.13911	3.3
216.07813	1.1
217.04886	2.0
217.08496	1.8
219.06488	6.7
221.08015	6.6
223.06030	1.2
227.10313	1.5
229.08543	2.8
229.15428	1.0
230.15759	0.8
231.10085	6.1
234.99159	0.7
235.05908	1.6
235.09746	1.2
237.07535	6.0
241.08537	22.5
242.08768	0.6
247.09607	8.8
249.11159	2.3
259.09607	52.2
260.09955	2.4
265.10638	2.4
277.00037	0.7
277.10660	37.3
278.10941	1.6
295.11703	100.0
296.12036	4.1
307.00861	0.6
319.54120	0.5
413.22437	0.9
439.09912	0.8
439.21033	0.6
457.16782	5.5
457.22037	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	455.3511
Annotation	Kuguacin J
Peak:m/z	Relative Intensity
53.03922	6.3
55.04977	4.4
55.05495	21.3
57.07074	7.7
61.49122	5.3
65.03928	4.4
67.05501	33.4
69.07063	22.8
69.96434	23.0
69.96846	8.6
71.04977	5.8
71.08625	6.4
79.05484	25.7
81.07040	65.9
83.08604	13.4
85.08873	4.3
85.41738	4.3
86.48713	4.5
89.06026	6.2
91.05463	37.8
93.07031	75.9
95.04971	9.2
95.08045	4.0
95.08594	100.0
97.10150	11.2
105.07018	62.0
107.08576	76.7
109.10123	46.7
111.08063	10.3
113.09648	5.1
117.07003	8.1
119.08552	62.2
121.10126	66.7
123.08080	10.6
123.11705	11.4
125.09659	6.3
129.06929	5.0
131.08502	26.4
133.10115	51.6
135.07997	8.0
135.11673	30.4
137.13261	6.7
140.50305	5.5
143.08539	19.3
145.10088	44.5
147.08011	6.3
147.11714	33.6
149.09622	11.5
149.13268	13.1
151.07512	9.2
153.09137	8.2
157.10124	13.0
159.11650	37.3
161.09560	9.3
161.13165	24.6
163.11157	8.5
163.14751	8.1
167.10722	9.4
171.11665	14.4
173.13243	22.5
175.11143	10.1
175.14824	17.3
177.16414	6.4
179.10629	6.9
181.12196	11.1
185.13309	7.2
187.14809	20.2
189.16360	14.7
191.14194	6.0
195.13773	9.9
199.14763	11.8
201.16371	17.8
203.14299	8.5
203.17949	12.7
205.15823	5.9
209.15399	7.6
213.16362	12.7
215.17889	9.3
217.15936	6.6
219.17407	9.9
221.15370	13.4
227.17828	8.2
235.16960	11.1
247.16821	7.3
249.18535	9.2
320.09888	6.1
329.24612	23.1
375.64417	4.8
419.33176	15.3
437.34186	50.2
455.35751	36.5
455.42065	6.1
456.38306	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	455.2786
Annotation	Withacoagin
Peak:m/z	Relative Intensity
50.08196	2.1
55.05495	8.9
57.07059	11.5
60.16159	2.1
67.05489	6.9
69.03419	2.3
69.07078	9.8
71.08630	4.4
79.05467	3.8
81.07046	16.9
83.08569	4.2
91.05477	3.1
93.07016	4.7
95.08585	11.8
97.10140	3.9
98.21527	3.7
105.07026	6.1
107.98999	2.1
109.10152	6.0
129.07051	2.1
131.04865	3.1
143.08594	2.8
145.02792	2.7
147.11740	2.8
151.07500	2.3
153.65262	2.2
159.08044	3.5
161.05994	12.2
171.04301	2.2
171.08084	3.1
172.05127	3.8
173.02332	5.4
175.03850	6.3
182.07263	2.3
184.05188	3.2
185.05960	7.9
185.09581	2.8
186.06700	4.0
187.07486	6.0
190.02591	2.8
195.08092	3.6
197.05949	3.4
198.03188	2.5
198.06732	9.7
199.07497	16.6
200.04680	3.7
201.05440	9.2
201.09064	5.2
203.03360	100.0
205.04929	22.3
209.05978	2.9
210.06790	5.6
211.07550	6.3
212.04654	3.5
212.08186	3.8
213.05461	22.1
213.09013	12.2
214.06158	4.7
215.07002	14.6
216.04156	19.0
217.04868	7.5
222.06789	4.2
223.07492	6.3
225.05354	2.5
225.09085	7.7
226.06284	9.2
227.06995	19.0
227.10703	2.7
228.07736	5.7
229.04932	6.1
229.08554	6.9
231.06483	57.4
235.07529	3.4
237.09105	6.5
239.07024	3.3
239.10643	3.4
240.07860	3.6
241.08534	19.3
243.06483	6.2
250.06241	2.8
251.10477	2.4
253.08531	4.7
255.10098	5.4
265.08603	4.7
267.10071	2.8
269.08011	8.9
279.10223	2.5
339.23001	2.6
368.27313	3.4
391.26361	4.1
393.23688	2.5
393.28122	3.7
395.25549	3.8
409.27194	20.7
411.24994	3.3
419.25760	11.6
427.28253	4.3
437.26776	56.0
454.49893	2.5
455.27722	35.6
455.33148	2.6
455.44183	3.4
455.50366	3.5
456.28238	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	455.2784
Annotation	Withacoagin
Peak:m/z	Relative Intensity
55.05499	16.7
56.50391	6.2
57.07048	17.9
67.05486	16.9
69.07047	17.1
70.09335	5.6
71.63835	10.2
72.02329	5.3
79.05493	6.4
81.07026	17.8
81.45157	6.4
83.08625	10.1
95.08601	10.6
121.10154	6.6
150.18193	6.1
161.05960	15.3
171.08044	14.4
181.06444	9.3
184.05157	13.3
185.05969	13.2
187.07591	9.3
194.71193	6.9
197.05963	9.9
198.06644	12.0
199.03859	14.8
199.07484	14.5
200.04623	8.3
201.05453	17.5
203.03363	13.1
205.04900	14.0
209.05945	14.7
212.04584	24.1
212.40955	6.2
213.05374	30.5
214.06093	13.7
214.84035	6.3
215.07071	17.4
216.04185	18.2
217.05011	7.0
219.06468	30.8
222.06894	6.0
226.06308	16.7
227.07011	67.4
229.04984	9.4
231.06517	19.8
237.05467	8.5
238.06186	6.2
239.07016	7.1
241.08652	30.3
253.08498	19.2
265.08594	6.6
267.10403	6.8
269.08057	61.6
395.25806	43.1
409.27194	46.3
419.25687	14.5
425.26770	8.0
437.26831	100.0
455.27728	44.1
455.43259	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	454.292
Annotation	16:0 LYSO-PE
Peak:m/z	Relative Intensity
55.05492	1.3
57.03422	3.2
57.07066	15.1
62.06082	21.6
67.05485	3.0
69.07042	2.4
70.80891	3.4
71.08623	11.6
81.07042	5.7
83.08603	3.4
85.10165	8.8
95.08592	6.7
97.10157	1.1
98.98456	4.5
109.10144	2.4
133.09943	0.9
142.02628	1.3
155.01041	4.5
216.06319	2.9
233.85915	1.2
239.23619	1.7
282.27914	11.4
283.28101	1.0
313.27325	100.0
314.27682	2.6
393.23944	8.0
436.28073	5.7
454.29025	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.3732
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	2.7
57.07068	34.4
59.04974	0.7
62.06079	0.8
67.05497	1.3
69.07057	2.0
70.12954	2.5
71.08623	26.4
73.06544	5.5
79.05492	0.9
81.07057	1.9
83.08610	2.2
85.10169	21.5
87.04456	3.6
89.06020	100.0
91.05453	0.7
93.07048	1.3
95.04962	0.6
95.08611	1.4
97.10149	3.3
99.11713	3.0
104.07072	0.9
107.07063	5.0
111.11681	0.7
113.13286	1.2
117.09144	3.7
119.08599	0.9
130.08604	4.9
133.08588	45.7
151.09711	0.8
155.17924	3.9
177.11209	19.9
195.12190	2.6
199.20537	4.3
205.45242	0.5
221.13866	2.4
239.14923	3.3
240.23274	1.2
243.23181	13.4
283.17484	20.2
287.25720	5.9
289.98056	0.6
349.29547	1.0
393.31851	1.9
428.39709	0.6
437.34662	36.6
438.35251	1.4
454.37250	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1161
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14426	0.4
51.83860	0.4
68.02846	0.5
71.29517	1.0
80.56080	0.4
94.92983	3.2
97.67374	0.4
112.89594	10.5
114.89323	1.7
202.89124	0.9
208.97249	0.6
212.85146	0.8
230.88582	4.8
231.93831	0.6
232.88313	0.7
232.92253	1.0
248.89618	1.9
272.79456	0.5
306.85510	1.4
322.82980	0.6
423.64346	0.5
455.11548	100.0
456.11868	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	455.1904
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.6
55.01865	0.5
55.05505	0.6
57.03438	0.7
59.04991	0.5
61.02920	1.1
64.19172	0.3
67.05493	0.6
69.03419	4.2
69.07063	0.7
70.06583	2.0
70.17988	1.5
71.04985	1.0
72.08128	0.5
73.02889	0.6
79.05477	0.8
81.03400	1.7
81.07037	0.6
83.01315	0.4
83.08624	0.4
84.04491	0.5
84.08118	3.9
85.02888	8.3
85.06547	0.5
85.08472	1.2
86.09693	1.5
87.04458	0.5
91.03918	0.6
91.05472	1.4
93.07020	1.0
95.04958	0.5
95.08638	0.4
96.08082	0.4
97.02847	2.8
98.21403	0.3
99.04463	0.8
100.11150	0.3
105.07005	2.4
107.04974	0.8
107.08555	0.3
109.02866	1.3
114.28542	0.3
115.05436	1.2
115.93535	0.4
117.07002	3.1
119.08551	1.3
120.08123	0.5
121.06424	0.5
123.08066	0.4
127.03890	1.7
127.12290	0.5
128.06281	0.6
129.06981	0.7
129.10214	0.6
131.04906	0.5
131.08508	0.7
133.06451	0.4
133.10117	0.6
135.08022	0.5
142.13655	0.3
142.14888	0.3
145.04916	1.4
145.06471	3.5
145.10101	0.7
147.08000	1.0
149.02414	0.5
149.05913	0.7
159.07988	1.3
161.05934	1.8
161.09544	0.9
163.07549	1.1
173.05949	10.2
173.09454	0.3
175.07512	5.5
177.05423	2.4
179.33398	0.3
187.07515	4.4
189.05469	0.8
189.09085	1.4
189.12668	0.5
191.05368	0.6
191.06992	8.1
197.09526	0.5
203.06995	20.1
203.10562	2.3
204.07396	0.4
205.08572	4.2
207.10118	0.9
209.08011	1.1
211.11032	1.0
212.16418	0.9
213.08936	0.6
215.06993	7.1
217.04964	0.4
217.08566	0.8
219.10081	0.4
221.08046	100.0
221.43602	0.3
222.08369	2.4
225.09013	0.5
229.08572	1.2
229.12192	3.6
231.10132	1.5
231.13803	1.1
233.08038	12.7
234.15033	0.4
239.10594	1.2
242.09308	1.2
247.09544	1.2
247.13263	0.9
257.11664	11.3
265.38593	0.4
275.09311	2.8
275.12717	43.1
276.13016	1.1
288.17810	0.5
293.10217	6.2
293.13727	68.1
294.14084	1.5
304.13751	0.4
314.10007	0.7
437.18372	0.4
437.25089	0.4
455.18808	2.5
455.26242	1.3
456.29327	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.2275
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.2
54.46007	1.0
55.01884	1.4
55.05498	1.6
56.05030	1.5
56.71280	1.1
57.03422	4.8
58.84031	1.0
59.26339	1.1
61.02908	2.2
63.91478	1.1
65.88269	1.1
67.05494	8.7
69.03410	4.2
69.07058	2.4
69.54449	8.2
70.06589	10.5
71.04972	2.2
72.08152	5.9
79.05481	4.8
81.03408	46.2
81.07042	3.1
83.04942	1.5
84.04493	2.2
84.08134	37.8
85.02895	11.5
85.08466	9.5
86.09709	7.0
87.04475	2.1
91.03940	1.7
91.05473	33.2
93.07030	12.6
95.04960	2.5
95.08601	8.8
97.02879	4.5
103.03902	1.1
105.07029	3.2
107.04932	2.2
107.08582	3.3
109.10133	8.2
110.07160	1.5
115.03924	1.2
116.07025	1.2
117.06989	1.4
119.08572	46.2
120.08076	1.7
120.08863	1.4
121.06506	2.0
125.09602	1.6
127.03901	1.5
127.12334	5.8
128.10669	2.2
128.12671	1.9
129.10225	4.2
133.04932	2.0
137.09598	27.9
147.08029	6.6
149.02113	2.6
160.07500	2.4
161.15605	1.0
165.09093	50.3
179.03381	2.8
183.10181	13.3
184.07271	1.9
193.08594	3.5
201.11174	1.7
202.08739	1.5
206.11838	1.0
225.10185	1.2
239.12798	15.4
257.13815	100.0
258.14075	2.0
267.11157	2.9
268.97354	1.4
285.12280	2.8
295.10681	3.6
311.07230	1.3
313.11752	20.0
329.08255	2.8
393.11606	1.9
395.00497	5.2
395.09946	1.0
419.18668	1.8
436.25470	5.7
437.23303	1.5
454.19553	9.4
454.26053	10.1
455.11539	52.7
462.67813	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.292
Annotation	16:0 LYSO-PE
Peak:m/z	Relative Intensity
51.76042	0.3
53.00303	0.4
55.05305	0.3
55.05504	3.2
57.03429	7.3
57.07067	22.1
64.11507	0.3
67.05491	5.9
69.07054	4.5
71.04967	1.2
71.08620	15.8
71.63498	0.5
73.02869	0.3
74.09699	0.9
75.00254	0.3
75.04463	0.4
76.50110	0.3
79.05466	0.8
79.60970	0.3
81.07042	6.5
83.04944	0.6
83.08605	5.5
84.08107	1.6
85.06535	0.5
85.08453	0.4
85.10166	9.5
87.04418	0.3
89.06029	2.1
91.05452	0.7
93.07019	1.0
95.08592	10.1
96.08891	0.5
97.02861	0.7
97.10164	2.5
98.06046	0.5
99.11704	0.6
103.07568	1.0
107.08553	0.6
109.02854	0.3
109.10141	5.8
111.11701	0.7
116.01613	0.5
119.08582	0.4
121.10138	0.7
123.11697	1.9
124.01582	0.3
127.12318	0.5
135.11649	0.5
137.13226	0.7
142.03159	1.2
145.09892	0.3
162.02226	0.8
168.96342	0.4
170.02737	0.8
183.65491	0.3
191.10576	0.3
216.06305	0.4
239.23633	1.2
245.05916	0.7
257.24722	1.2
282.27838	4.7
308.23639	0.4
313.27304	100.0
314.27579	3.0
377.17621	0.4
407.26001	0.3
422.36340	0.4
433.59460	0.4
436.24738	0.3
454.38718	1.5
455.22229	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.2276
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.2
55.01851	4.8
55.05500	4.0
55.20416	1.1
56.34741	1.0
57.03428	22.4
57.07057	5.1
61.02904	1.3
65.03910	1.5
67.05499	11.5
67.06029	1.1
69.03432	7.2
69.07062	10.7
70.06576	4.3
71.04981	2.2
71.62777	1.0
71.63197	1.6
73.02876	1.3
73.06557	1.4
79.05493	3.0
81.03407	7.3
81.07046	10.1
83.04967	3.2
83.08613	8.3
84.08132	46.1
84.57807	1.2
85.02882	15.6
85.06523	6.0
85.08465	10.1
86.09677	2.0
87.00814	7.8
90.43517	1.3
91.05470	5.5
93.07025	2.5
95.04953	2.1
95.08613	8.2
97.02879	9.0
97.06527	4.1
98.79106	1.1
99.04446	5.0
99.08085	14.5
102.97015	1.3
105.01865	6.5
105.07036	2.2
107.04936	2.1
107.08580	3.1
109.02879	5.7
109.06480	1.7
109.10142	43.3
110.64069	1.0
111.08115	1.6
113.05962	1.2
115.96330	1.1
120.08089	6.4
121.10134	1.5
123.08104	1.4
127.03893	12.6
127.11180	65.5
127.12256	7.4
128.12643	2.9
131.08437	1.3
135.08047	1.6
135.11659	1.4
137.09567	1.2
137.13290	1.4
140.01738	1.3
145.04918	5.4
149.09657	3.8
151.07590	1.2
151.11169	3.7
153.12744	10.4
155.14288	31.8
159.02875	3.5
169.12173	1.8
171.13782	100.0
172.14111	1.7
189.12794	2.9
195.13760	3.2
207.13756	3.2
219.48755	1.3
220.99556	2.2
231.04814	1.8
236.77492	1.1
236.99083	1.7
255.00111	2.3
262.76520	1.1
295.10690	4.1
313.11740	7.1
327.03754	5.5
328.03915	1.4
346.02994	1.2
357.15372	1.7
413.03436	1.8
436.19168	2.3
436.24661	6.5
439.60992	1.2
443.84848	1.7
454.19479	4.3
454.26053	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	453.259
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	0.4
56.05038	0.5
58.06596	2.9
58.63179	0.2
64.89445	0.2
69.48221	1.0
69.48650	0.8
70.06583	1.6
78.94450	0.2
82.06557	0.8
83.95702	0.2
84.08129	100.0
85.02907	0.3
85.08446	1.1
96.08109	2.1
98.09682	0.4
100.07634	0.2
107.04939	4.0
107.05607	0.3
108.05280	0.4
110.09675	0.6
111.08070	0.2
127.12297	21.5
164.29219	0.2
176.69423	0.2
191.64323	0.2
234.17735	0.2
234.33206	0.2
246.14902	0.2
273.19592	0.2
274.18042	0.8
366.19135	0.5
385.20026	0.2
391.83432	0.2
435.24863	12.0
436.24805	1.2
453.25995	27.2
454.26215	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1383
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.4
55.01866	2.4
55.05500	3.5
56.05027	0.5
57.03427	2.0
57.07074	0.3
58.06598	3.5
61.02911	0.7
67.05494	4.7
68.99807	0.3
69.03419	3.7
69.07062	2.0
69.26508	0.4
69.26848	3.4
70.06573	1.7
71.01345	0.4
71.04979	1.8
73.02905	1.1
78.11880	0.3
79.05480	5.6
81.03401	5.0
81.07047	4.4
82.06548	0.5
83.04970	1.6
83.08604	1.1
84.08128	100.0
85.02887	9.0
85.06518	0.5
86.09698	0.5
87.00813	3.0
91.03967	0.3
91.05461	4.0
93.07027	5.1
95.04966	1.8
95.08586	2.7
96.08112	2.1
97.02869	3.9
97.06511	5.3
97.10129	0.7
98.06849	0.4
98.09725	0.3
98.98449	2.2
99.04445	2.1
99.08023	0.4
100.11237	2.2
103.03932	0.3
105.01860	2.9
105.07012	3.3
107.04937	5.2
107.08591	2.0
109.02866	5.5
109.06494	0.6
109.10141	1.2
109.45288	0.3
110.09663	0.8
111.04405	0.3
111.08046	0.5
115.05435	0.6
117.01878	0.4
117.07039	0.7
119.08564	1.9
121.02853	0.5
121.06480	0.7
121.10133	2.2
123.08055	1.0
123.11612	0.4
126.09129	0.5
127.02943	0.5
127.03889	9.5
127.12293	23.0
128.04254	0.3
128.06180	0.5
129.01830	0.6
129.06949	1.3
130.72456	0.2
131.04906	0.8
131.08549	3.3
133.06462	1.3
133.10083	1.5
135.07964	0.4
135.11664	0.3
139.11162	0.6
141.06987	2.0
143.08542	0.6
144.05670	1.9
145.02817	0.3
145.04930	3.5
145.06451	0.5
145.10085	0.6
146.07243	0.6
147.08046	0.5
147.11678	1.1
149.02322	6.1
149.09602	0.7
151.03922	0.4
151.07454	0.3
155.01128	0.4
159.02878	3.1
159.04269	0.5
159.08031	4.3
161.05902	0.3
161.09581	1.1
161.13162	0.3
163.03860	2.1
163.11183	0.4
167.10689	1.3
169.06427	3.6
169.07613	0.6
171.11668	1.2
173.02126	0.7
177.09105	0.5
182.15370	1.9
187.07501	13.0
188.07788	0.3
189.12692	1.4
194.97737	0.3
195.13786	1.4
204.13747	0.5
205.08563	41.3
206.08966	1.6
207.13756	1.1
209.16454	0.5
210.14929	1.9
213.03920	0.5
213.14745	0.5
231.04909	2.0
241.14372	1.4
259.09555	0.5
260.09967	0.7
261.10181	0.8
263.16360	0.6
269.17358	2.2
274.18042	0.8
281.17413	10.0
366.18961	0.5
381.29678	0.4
417.16550	0.8
435.24765	12.7
436.23050	0.8
444.82855	0.4
453.25864	28.4
453.83868	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.4093
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.8
55.05505	9.8
57.06811	0.7
57.07071	7.8
59.04996	0.4
59.19803	0.4
65.03946	0.6
67.05499	20.6
68.05025	0.6
69.03419	5.3
69.07060	11.2
70.02953	0.8
70.06585	0.9
71.04959	0.6
71.08629	4.9
71.65453	0.4
77.79989	0.4
79.05484	9.5
81.03447	0.5
81.07050	19.5
83.04986	0.6
83.08617	7.0
84.04502	1.3
84.08134	0.7
85.10173	2.3
86.06055	11.4
87.04458	23.6
88.03992	0.5
88.57433	0.4
89.06025	0.9
90.75437	0.3
91.05488	3.3
92.05791	0.4
93.07034	13.7
93.07610	0.7
95.04979	1.1
95.08595	16.0
95.27280	0.4
96.08972	0.5
97.02878	0.5
97.06522	2.2
97.10157	5.2
98.06067	1.4
98.21523	0.9
99.08063	0.5
102.05561	0.7
104.07094	26.4
105.07029	0.6
107.08585	9.9
107.09280	0.8
108.08066	0.4
109.02649	0.4
109.10147	7.6
111.08063	0.7
111.11727	1.0
112.92423	0.3
116.03490	1.1
116.07101	0.7
116.09171	0.4
119.08574	0.7
121.06484	0.5
121.10136	8.1
123.11700	2.5
133.08632	0.5
135.11681	3.8
137.13271	0.9
141.12794	0.4
149.13298	1.3
151.14856	0.8
163.14854	1.1
164.14371	0.5
168.06609	0.6
177.11147	0.4
177.16428	0.8
191.17926	0.5
192.17488	1.1
205.19597	0.6
206.19102	0.6
220.20569	0.6
234.22183	0.4
239.14935	1.0
248.23970	0.5
296.25888	0.8
318.31641	1.2
331.33743	1.1
346.34750	0.6
349.34540	2.2
408.34521	8.6
409.35468	0.7
418.43481	0.4
452.28775	2.2
452.41208	100.0
453.41675	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	452.227
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.6
55.05511	0.8
57.03431	0.5
61.02905	0.8
62.07793	0.4
66.68548	0.3
69.03418	2.7
70.06190	0.4
70.06580	8.8
70.92123	1.1
71.04981	5.9
73.02914	0.4
75.14375	0.3
79.05473	0.6
81.03391	0.5
82.06567	25.5
84.08131	23.4
85.02894	4.3
86.01852	0.3
87.04465	0.7
95.04948	0.4
95.16610	0.4
96.08109	0.7
97.02876	1.5
97.06527	0.5
98.09689	0.6
99.04437	0.3
99.79935	0.4
100.07604	15.4
107.04939	48.8
108.05244	0.6
109.02806	0.5
111.08080	1.0
120.08095	0.5
121.06518	0.7
122.09650	4.1
123.08070	0.5
124.11210	8.2
126.09151	1.7
127.03890	0.9
134.09494	0.3
140.10710	0.5
143.48236	0.4
149.05933	1.7
187.47543	0.4
193.23085	0.4
203.10623	0.7
217.12236	1.3
228.13852	0.5
232.91977	0.4
246.14838	5.0
246.16956	0.5
253.32162	0.4
272.16376	4.2
290.17493	4.6
408.20059	1.3
434.15714	0.7
434.21664	10.0
452.22742	100.0
453.23096	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	452.3935
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68713	0.9
53.80669	0.9
55.05494	2.4
57.07065	31.0
67.05486	1.7
68.49519	0.9
69.07041	3.3
69.29698	13.1
71.08621	29.7
72.52013	1.1
73.06533	4.0
81.07031	2.4
82.15712	1.1
83.08594	4.2
85.10164	16.1
87.04449	2.6
87.10152	1.2
89.06017	100.0
95.08583	1.8
97.10152	4.0
99.11733	2.0
101.82954	1.0
107.07086	5.1
107.08553	1.1
111.11684	2.1
113.13279	1.7
125.13207	1.7
125.84412	1.0
126.11504	1.1
127.14811	1.5
130.08601	4.2
133.08574	50.9
151.09680	4.9
177.11198	12.0
189.69897	1.2
195.12274	3.0
197.22610	1.1
221.13728	1.2
239.14856	54.6
240.15166	2.4
241.25424	1.7
285.27826	4.4
329.30499	1.7
391.34320	2.3
435.30914	2.0
435.36737	35.8
452.40955	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	452.227
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.4
55.05489	0.5
56.05015	0.7
57.03419	0.9
61.02906	1.2
69.03417	3.8
70.06580	4.6
71.04980	3.8
71.07005	0.5
73.02915	0.4
79.05465	0.6
80.04998	0.5
81.03395	0.9
82.06558	9.3
82.83533	0.3
84.08126	15.1
85.02886	6.6
85.03373	0.2
85.08450	0.3
87.04454	0.8
91.03960	0.3
91.87807	0.3
93.07015	0.5
95.04945	0.5
97.02859	2.4
97.06534	0.7
98.09669	2.0
99.04457	0.5
100.07599	7.9
107.04932	46.1
108.05246	0.5
109.02871	0.6
110.73433	0.3
111.08076	3.3
120.08090	0.4
121.06487	0.9
122.09640	1.3
123.08060	1.3
124.11205	0.9
126.09123	3.4
127.03881	1.5
140.10681	1.4
145.04904	0.5
149.05949	1.7
165.10388	0.3
190.04010	0.3
199.11133	1.7
203.10686	0.8
217.12238	3.9
228.13756	2.0
229.12268	0.5
246.14842	17.8
247.15189	0.7
253.51245	0.3
272.16397	1.2
290.17429	5.9
408.20016	4.3
434.21634	3.0
452.22717	100.0
453.23010	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	451.2165
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	6.4
55.05494	13.4
56.16681	4.1
67.05482	16.2
69.03403	7.3
69.07056	17.0
69.51839	20.7
69.52265	13.0
70.06573	11.8
71.04978	11.7
72.08138	8.9
79.05473	21.0
81.03405	18.2
81.07039	48.3
83.04973	16.0
83.08604	11.2
84.08119	20.4
85.02898	7.0
85.06539	7.8
86.09688	19.3
91.05451	29.9
93.07024	59.1
95.04951	18.3
95.08592	43.6
97.06510	39.1
99.04436	24.8
105.07007	34.5
107.04942	42.8
107.08565	27.8
107.70913	5.4
108.05256	9.9
109.02873	14.2
109.06503	36.4
109.10126	9.1
111.08076	35.8
113.05991	4.7
115.07566	5.6
119.08565	17.2
120.08088	14.1
121.06505	63.1
121.10110	4.8
123.04405	4.7
123.08031	5.2
123.11670	11.9
125.05987	12.9
127.03844	4.7
127.07523	10.9
129.07005	8.7
131.08562	4.5
133.10107	16.7
135.08035	8.1
137.05945	7.4
139.07523	29.9
141.05467	8.3
141.06961	5.0
142.07831	4.8
143.06999	17.6
143.08473	5.0
145.10092	8.6
147.08011	7.9
147.11662	55.2
149.13275	6.0
151.07503	4.4
151.11153	12.3
157.08560	13.5
157.10133	11.2
158.65005	4.2
159.06470	7.6
161.13252	11.0
164.10687	11.0
165.10988	8.1
165.12714	19.8
169.12222	49.0
171.11653	15.3
175.11115	36.4
187.06056	5.2
189.12697	29.2
193.12187	50.0
199.11115	36.4
205.07022	29.9
207.13710	11.9
211.13240	60.3
215.07034	5.9
217.12186	87.1
229.14291	38.2
234.98959	4.7
235.13261	99.7
253.14293	100.0
259.09509	10.1
271.15265	14.5
325.03616	30.6
360.13272	3.9
397.18582	29.3
415.19769	21.7
433.20322	30.1
451.08356	89.4
452.08643	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	452.2272
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20053	0.3
53.03925	0.8
55.05494	0.7
56.05016	0.8
57.03420	0.8
61.02892	0.7
67.04238	0.6
69.03425	2.7
70.06200	0.5
70.06579	8.2
70.56820	0.4
70.90349	0.9
71.04979	7.2
76.22217	0.3
80.04999	0.6
81.03378	0.7
82.06567	18.0
84.08130	27.9
85.02893	5.7
85.50534	0.4
87.04443	0.5
91.03940	0.4
91.05489	0.4
93.07014	0.6
96.08125	0.6
97.02869	1.3
97.06463	0.7
98.09695	1.1
98.21494	0.4
100.07603	15.3
107.04939	43.3
108.05274	0.5
109.02863	0.8
111.08031	1.7
117.27603	0.3
120.08053	0.6
121.06469	1.2
122.09683	1.7
122.79964	0.4
123.08025	0.7
124.11201	3.4
126.09152	1.6
127.03888	1.3
140.10616	0.8
141.26311	0.4
145.04959	0.5
149.05978	1.4
172.59373	0.4
199.11215	1.1
203.10666	0.8
217.12157	2.6
228.13791	1.1
229.12242	0.6
245.76453	0.3
246.12337	0.7
246.14862	12.0
272.16425	2.6
281.06967	0.3
290.17447	6.0
348.22635	0.3
406.03241	0.4
408.20148	2.1
434.21649	7.0
452.05731	3.4
452.22742	100.0
453.04651	1.7
453.23068	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	451.0478
Annotation	Unknow
Peak:m/z	Relative Intensity
55.59515	0.6
60.97605	0.6
70.91541	1.6
73.70449	0.6
79.01627	0.6
85.02887	0.8
98.97528	0.7
165.56883	0.7
182.85783	0.6
241.51910	0.6
253.31102	0.7
340.94742	0.7
352.52875	0.7
391.02554	1.2
433.03787	0.9
451.04800	100.0
452.05136	2.5
473.25034	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.048
Annotation	Unknow
Peak:m/z	Relative Intensity
56.64357	0.8
59.94594	0.7
70.81751	1.5
88.57657	0.8
94.92993	1.9
122.32371	0.7
152.95157	0.7
248.89630	3.1
298.71851	0.6
349.84818	2.8
391.02975	1.3
432.19778	0.7
451.04822	100.0
452.05249	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	451.1378
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	3.3
55.05493	10.6
57.03428	2.5
57.07064	10.7
67.05491	8.0
69.38873	2.9
69.39214	22.1
70.06572	6.8
71.04972	6.1
75.00011	3.1
75.48608	2.5
79.05472	5.5
81.07036	5.2
82.98958	4.3
83.01318	2.8
83.04970	20.8
83.08609	3.5
84.08124	28.3
86.09679	2.6
91.05469	10.5
93.07030	2.9
95.04967	5.5
95.08603	3.4
99.92826	2.1
103.05435	3.6
105.07014	4.1
107.04945	7.0
107.08553	3.2
115.05499	3.0
117.01022	11.6
117.06995	5.9
119.08569	6.5
121.06454	2.9
121.10117	4.1
126.03159	2.4
127.12290	6.5
128.06229	4.8
129.06996	6.8
131.04901	12.1
131.08621	3.0
132.50580	2.0
135.02118	4.9
135.08026	3.9
137.04535	8.2
144.46359	2.2
145.06453	6.0
147.02058	3.5
147.11679	6.2
159.04395	16.6
159.07983	3.8
163.07521	27.8
165.03110	13.1
173.05913	27.2
175.01515	38.5
175.07506	2.9
176.04684	4.1
177.05437	12.1
181.02544	5.4
187.03879	89.8
187.07501	16.5
189.05417	3.0
191.03412	5.4
191.06981	50.0
193.08374	2.8
194.02098	2.6
199.07516	7.5
200.04562	12.1
201.05383	4.5
203.07030	4.8
210.10988	2.2
215.03732	3.3
215.06992	68.7
217.05006	2.3
219.06502	33.2
221.08058	66.3
227.04932	2.7
227.07007	13.7
233.08046	85.8
241.08556	2.5
243.06453	17.5
255.06567	6.6
259.09598	20.2
275.06927	6.3
287.09097	90.8
313.11716	2.6
319.21332	3.7
321.02722	4.1
331.13004	25.5
333.07513	4.0
344.31659	5.9
345.31924	2.5
361.07010	4.1
363.12067	3.8
377.09241	7.5
387.19382	18.6
391.11731	8.7
395.10040	24.6
409.12732	100.0
410.13458	3.0
433.15567	12.1
433.24106	3.2
450.32159	2.7
450.37701	15.4
451.16818	33.5
451.23572	3.6
451.27133	6.6
451.38153	7.5
474.84729	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	450.3933
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05451	1.9
56.04991	0.6
57.07055	1.5
67.05495	3.0
68.04981	0.6
69.07063	2.0
70.06539	0.7
70.09696	1.4
71.08578	0.5
72.23824	0.3
72.93094	0.3
79.05479	1.7
80.05003	5.1
81.03347	1.1
81.07036	2.5
82.06516	0.7
83.08546	1.2
84.08097	0.5
85.10159	0.3
86.05995	1.2
87.04451	14.7
91.05400	0.6
93.07033	2.2
94.06524	0.8
95.08592	2.0
96.08106	1.9
97.10138	0.7
98.06046	2.7
105.06997	0.4
106.87894	0.3
107.08550	0.7
108.08109	1.5
109.10080	1.0
112.07518	0.4
116.07023	0.5
119.08501	0.4
121.10073	0.7
122.09610	1.1
123.11660	0.5
124.07520	0.9
135.11699	0.3
136.07549	1.8
136.08363	0.3
136.77432	0.3
137.13098	0.4
150.09103	0.6
154.08582	0.5
163.95428	0.3
164.14272	0.7
166.08614	6.4
166.15785	0.6
168.10101	0.4
178.15837	0.9
180.10104	1.2
180.17397	0.6
181.10822	0.8
182.11670	0.9
184.09683	1.5
192.17453	2.3
194.11710	4.2
194.18965	0.8
195.12483	0.6
206.19026	2.1
208.13129	0.4
208.20483	0.4
220.20474	1.2
222.14792	0.4
234.22102	1.1
240.19360	0.3
250.18022	0.9
264.19516	0.9
266.21027	0.4
268.22699	0.6
277.57324	0.3
278.21036	1.1
280.22656	0.5
292.22620	2.7
294.24280	0.5
296.25586	0.4
306.24133	0.5
307.39798	0.3
308.25662	0.5
318.31476	3.5
320.25693	1.6
320.33066	6.5
322.27283	0.3
352.19269	0.3
404.35245	1.1
406.36719	84.2
407.36929	3.2
408.38138	0.5
450.39343	100.0
451.39755	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	450.2843
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05858	0.8
53.72750	0.8
55.05504	5.7
65.03941	1.2
66.23591	0.7
67.05494	34.5
69.07059	4.4
69.95457	5.0
70.87099	0.8
71.04979	0.9
72.07671	0.9
72.46655	0.7
79.05471	6.3
81.07047	36.4
83.04974	1.2
83.08613	7.3
84.08147	1.1
85.06528	1.3
91.05467	13.5
93.07037	8.4
95.08595	39.3
97.06499	1.8
97.10151	3.7
99.08057	1.1
105.06996	3.3
106.35925	0.8
107.08578	5.2
109.10143	19.2
110.10467	0.9
111.08030	2.3
117.06974	1.1
119.04934	24.2
119.08562	4.0
121.10120	8.3
123.04483	0.9
123.11688	9.4
131.08565	2.7
131.15527	0.8
133.10101	9.0
135.11664	9.2
137.09590	3.6
137.13269	4.2
145.10080	2.7
147.04391	100.0
147.11630	2.4
148.04720	2.3
149.02330	1.6
149.09654	1.1
149.13194	4.8
151.11176	7.8
151.14786	1.5
155.10641	3.3
156.71106	0.9
159.11647	1.9
163.11224	1.3
165.05458	13.0
168.21056	0.9
169.12204	3.3
173.13219	1.5
177.12794	1.5
193.04903	2.0
195.13734	2.8
215.17912	15.1
233.18990	12.8
234.83472	0.8
251.20033	52.1
252.20366	2.4
265.00916	0.8
269.21106	3.0
274.40781	0.9
450.31979	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	450.2483
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.7
55.05489	1.2
56.05023	0.5
57.03422	1.0
60.41954	0.4
61.02913	0.6
62.06072	1.0
65.03918	0.5
67.05501	4.3
68.05016	0.6
69.03409	1.2
69.07044	2.0
70.06584	14.0
70.88320	1.3
71.04982	1.3
72.08138	2.1
79.05477	2.0
81.03403	1.5
81.07044	3.4
83.04962	0.9
83.08604	0.6
84.04499	0.8
84.08136	3.8
85.02895	5.0
86.03252	0.5
86.09693	5.6
87.04439	0.5
91.05476	4.2
93.07026	1.7
95.04956	1.1
95.08591	1.2
96.08096	1.6
97.02859	1.6
97.06512	1.8
98.09679	100.0
99.04426	1.8
99.08063	0.8
99.10018	0.7
102.05560	0.4
103.03937	1.5
103.05433	0.5
104.05297	0.5
104.07153	0.5
105.07017	1.1
106.06552	0.7
107.04944	3.3
107.08575	1.5
108.87198	0.4
109.02860	1.1
109.06523	0.8
109.10142	1.3
110.07191	0.5
111.00802	0.4
111.04418	1.0
111.10423	1.6
112.11218	1.2
116.06904	0.5
119.04929	12.3
119.08578	1.0
120.08107	4.5
121.08386	0.5
121.10112	1.0
122.02672	1.1
123.04469	0.9
123.08028	0.8
124.07579	7.4
127.03909	3.8
129.05441	0.5
129.06996	0.7
129.10202	1.1
131.08539	0.9
135.04391	1.0
135.08038	0.5
135.11624	0.7
136.07556	0.6
137.06020	0.7
137.09566	0.5
140.14319	32.0
145.02792	0.5
145.04956	1.4
145.06462	0.8
147.04390	77.5
147.11604	0.7
148.04715	1.1
149.05946	0.6
149.09622	0.6
149.13301	0.5
153.01819	4.4
155.08482	0.6
157.10071	0.8
158.15367	5.7
161.05960	1.4
163.03877	4.4
163.06017	1.0
163.07419	0.7
163.11191	0.5
165.06828	0.5
167.08556	0.9
167.10698	1.2
169.06422	0.8
171.10092	0.7
173.05872	0.9
173.09509	0.4
174.06699	0.5
175.07419	0.7
177.05424	0.6
185.05878	0.6
187.07504	1.2
189.05527	0.8
189.09087	1.1
189.12898	0.5
193.12009	0.5
195.08041	1.4
201.05501	1.1
203.03180	0.7
203.06908	1.0
213.05496	1.3
213.09102	1.6
214.06035	0.5
215.06979	2.2
217.08681	1.0
231.06465	0.9
231.10043	0.7
234.99026	0.7
235.13312	0.5
241.08565	0.9
243.10136	0.5
253.14330	0.7
259.09641	5.8
271.09613	1.9
271.15607	0.5
275.09079	1.6
281.11389	0.4
287.05377	4.4
288.05811	9.6
288.15930	7.9
289.07047	7.4
289.10544	1.2
304.19046	4.5
352.61667	0.5
366.05649	0.5
389.18567	0.5
450.24866	92.7
451.09048	0.7
451.15958	1.5
451.25244	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	450.2484
Annotation	Caerunine
Peak:m/z	Relative Intensity
53.03922	0.4
55.01855	0.3
55.05507	0.6
57.03419	0.3
59.50220	0.2
61.02916	0.4
65.03924	0.7
67.05498	2.6
69.03405	0.8
69.07048	0.6
70.06583	4.8
71.04993	1.2
71.62109	0.3
72.08131	0.7
73.02892	0.3
79.05480	0.9
81.03389	0.4
81.07047	2.2
83.04983	0.6
84.04490	0.4
84.08138	1.9
85.02901	2.1
85.88676	0.2
86.03236	0.3
86.09699	1.8
86.11250	0.2
91.05473	6.2
93.07026	0.9
95.04978	0.5
95.08589	0.4
96.08138	0.3
97.02869	0.5
97.06519	0.9
98.09681	35.7
99.08075	0.6
99.09980	0.5
105.07006	0.6
107.04942	1.0
107.08569	1.0
109.02845	0.3
109.10150	0.7
110.07177	0.3
111.04438	0.7
111.10442	0.3
112.11220	0.3
119.04929	19.3
119.08542	0.3
120.05260	0.5
120.08089	2.7
121.10117	0.5
122.02732	0.6
123.08067	0.3
125.05916	0.2
125.24400	0.2
127.03899	0.6
129.07021	0.2
129.10179	0.4
129.22112	0.2
131.08502	0.2
133.10138	0.4
137.05974	0.3
140.14322	12.5
145.04956	0.3
147.04390	100.0
148.04727	1.7
149.09615	0.3
157.06512	0.2
158.15384	24.0
159.15736	0.5
161.02199	0.2
161.05959	0.4
163.03909	0.4
167.10672	0.4
169.05141	0.2
175.03835	0.3
175.07539	0.3
185.05977	0.5
187.07547	0.3
189.05518	0.4
197.05939	0.3
201.05476	0.8
203.05200	0.3
203.06981	1.9
215.07007	1.2
217.04948	0.2
241.08253	0.2
252.20415	0.3
259.09702	2.2
270.21371	0.2
275.09094	2.0
281.11453	0.2
285.00177	0.3
286.00693	0.4
287.05585	1.6
288.05896	3.7
293.10483	0.3
304.19052	2.4
317.02869	0.5
318.03293	0.7
412.38904	0.2
450.24835	66.1
451.25186	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	450.2329
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	8.2
55.05501	8.4
57.03415	6.7
57.76907	2.1
59.61022	2.2
61.02882	2.3
63.21062	2.4
63.56854	2.4
64.98663	2.0
67.05508	11.7
69.03413	11.1
69.07064	12.7
70.06583	11.7
71.04974	7.2
71.62550	2.9
71.62970	2.9
72.08135	3.0
73.02901	3.9
77.95113	2.0
79.05479	20.6
81.03398	9.5
81.07047	34.0
83.04971	8.4
83.08609	3.2
84.08105	2.5
85.02892	25.7
85.06521	5.4
86.09711	11.7
87.00819	5.6
91.05471	13.0
93.07033	43.3
95.04942	12.9
95.08600	27.8
97.02865	10.3
97.05903	3.9
97.06518	69.4
97.10080	2.4
98.97533	3.2
99.04430	13.4
99.35348	2.4
105.01844	6.7
105.07024	23.5
106.08812	2.1
107.04926	5.0
107.08588	30.1
109.02852	6.2
109.06500	20.0
109.10120	7.9
111.08065	5.1
116.07094	3.2
117.06995	2.8
119.08559	20.0
120.08078	9.6
121.06492	53.0
121.10125	12.1
123.05557	3.5
123.08020	6.7
123.11659	4.9
125.05952	9.0
127.03900	11.3
127.07535	9.7
129.06987	4.1
131.08540	5.5
133.06465	3.2
133.10098	8.2
135.04373	7.8
135.08072	11.4
139.07515	10.3
142.07742	5.3
143.07018	8.6
143.08519	7.0
145.02774	4.2
145.04912	6.8
145.10103	7.5
147.04318	5.9
147.08031	4.6
147.11674	31.6
149.13284	15.1
157.08733	2.4
157.10114	14.8
159.04382	2.9
161.02322	13.2
161.09625	2.6
161.13214	8.8
163.03886	22.6
165.12791	13.0
167.14281	8.1
171.11641	16.7
173.02272	17.8
175.03778	3.4
175.05035	24.5
175.11131	18.2
176.05354	16.6
180.08730	4.2
184.07274	4.2
189.12672	18.6
193.04872	5.6
193.12242	16.1
199.11166	23.9
207.02855	23.9
207.13759	14.3
209.15381	4.5
211.13318	10.5
215.06973	25.1
217.04874	4.6
217.12213	54.8
235.13255	100.0
236.13643	2.5
241.08582	6.2
253.14330	96.2
254.14740	3.6
259.09647	98.9
271.15292	7.6
271.22803	2.3
295.12756	4.7
300.17853	9.6
301.16272	9.2
309.12335	3.6
317.18561	16.1
318.18860	59.8
366.96487	3.0
381.34927	2.5
409.15289	4.3
410.21674	3.0
432.24368	3.7
450.20340	3.8
450.28870	5.4
451.16324	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	450.2325
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94255	2.9
53.03932	4.3
55.01870	2.9
55.05495	11.0
56.52345	2.7
57.03422	4.4
59.82682	2.6
67.05499	13.1
69.03410	11.7
69.07043	10.9
69.20700	2.6
69.43819	3.0
69.97448	4.7
69.97857	12.9
70.06565	11.0
71.04961	7.9
72.08172	3.7
74.90540	2.5
75.10802	2.8
79.05485	27.3
79.70419	2.8
81.03404	36.2
81.07043	50.0
83.04971	28.9
83.08584	3.1
84.08112	9.4
85.02895	13.7
85.06506	5.9
86.09690	8.5
91.05466	21.7
93.07030	51.4
95.04942	14.2
95.08581	25.6
97.02848	5.2
97.06517	34.1
99.04442	39.1
105.07006	40.8
107.04955	5.9
107.08566	36.9
109.02869	25.8
109.06506	23.7
109.10139	6.6
111.08045	5.4
117.06994	6.0
119.08546	29.7
120.08084	4.1
121.06486	61.1
121.10134	6.9
123.08046	5.9
125.05965	9.8
127.03905	11.5
127.07543	11.8
129.07005	4.3
131.08505	7.8
133.06473	5.4
133.10071	16.9
135.04425	5.5
135.08015	18.9
137.05936	9.6
139.07532	12.2
142.07771	5.4
143.07022	7.1
143.08522	9.3
145.04921	4.2
145.10094	13.9
147.04333	5.6
147.07996	5.2
147.11670	62.5
149.13235	5.6
151.11102	3.7
153.01788	6.0
153.09071	4.0
156.09372	4.7
157.08812	3.4
157.10083	23.1
161.02293	3.4
161.05957	3.0
161.13229	9.0
163.03877	9.0
165.12717	23.7
171.11681	30.4
173.02260	6.3
173.09608	8.0
173.13214	3.7
174.90219	3.1
175.11157	46.3
181.10013	3.2
187.05885	5.4
189.12743	33.6
191.14333	5.6
193.12209	41.0
199.11110	24.6
201.18581	3.0
205.07043	84.2
207.13840	17.8
209.15321	20.5
211.13249	19.4
215.07048	16.6
217.12192	79.7
227.12758	3.7
235.13258	100.0
253.14304	59.1
259.09586	20.7
287.05588	13.8
288.05820	37.6
289.06683	5.5
303.04913	4.4
304.05301	10.5
379.17398	7.7
397.18515	28.8
415.19540	56.0
450.11298	16.3
450.20822	3.3
451.15704	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	450.2118
Annotation	Latisoline
Peak:m/z	Relative Intensity
52.00119	0.3
53.03913	0.7
55.01859	0.7
56.05017	1.5
57.03420	1.6
60.04496	0.6
61.02924	1.9
67.05473	0.6
68.04994	0.6
69.03082	0.4
69.03416	6.6
69.74522	2.4
70.06581	7.4
71.01308	0.4
71.04951	0.9
72.08118	1.4
73.02917	1.8
79.05467	0.6
80.04990	0.6
81.03409	2.5
81.07033	0.3
82.06577	1.6
84.04473	0.8
84.08128	4.7
85.02891	11.8
85.06524	0.4
86.09697	1.6
87.04459	2.2
88.02179	0.3
91.03907	0.8
91.04977	0.4
91.05473	4.7
93.06975	0.5
95.04916	0.6
95.08550	1.4
96.08081	0.4
97.02867	5.6
97.06543	0.4
99.04420	1.1
99.05539	0.4
101.02409	0.5
102.05471	0.4
104.05244	0.4
105.24893	0.3
107.04977	0.8
107.08566	0.8
108.08074	1.2
109.02873	1.6
109.10133	0.4
115.03886	0.7
119.08524	1.2
120.08067	1.2
122.09663	2.5
122.24671	0.4
123.04408	39.8
123.08006	1.1
123.10452	2.2
124.04762	0.6
124.11208	2.3
127.03887	2.8
129.10211	1.2
131.08510	0.3
134.09660	0.4
137.05923	0.8
137.09592	4.7
145.04939	1.8
146.09688	0.4
147.04379	0.5
148.11130	0.4
149.05885	0.6
150.09128	3.6
152.10652	1.0
163.05983	1.0
164.10706	2.1
165.05435	0.9
165.11450	0.4
166.12245	5.4
175.07558	0.4
216.01675	0.4
259.13245	1.0
270.14874	0.7
286.14377	1.1
288.15900	92.7
289.16272	3.8
316.01883	0.4
342.32031	0.3
385.67429	0.3
405.87299	0.4
450.21188	100.0
451.15771	0.5
451.21515	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	450.1961
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	1.9
55.01867	2.2
55.05488	2.0
56.05013	1.9
57.03428	14.3
59.04977	3.5
60.04508	2.5
61.02899	4.9
62.28870	1.0
69.03416	61.1
70.06580	50.8
71.10185	2.8
72.08141	5.8
73.02887	3.5
75.04449	2.4
81.03384	4.4
81.07052	1.6
82.06554	2.0
84.04484	1.7
84.08133	10.4
84.85934	1.4
85.02889	57.7
86.09676	4.5
87.04453	39.4
87.05587	1.2
91.03929	2.4
91.05466	3.0
93.07011	1.7
95.04966	2.0
96.28452	1.1
97.02871	40.7
99.04434	3.6
103.05432	1.4
107.04918	1.5
107.08544	2.0
109.02853	4.5
110.07130	1.9
115.03906	64.7
117.06982	4.0
120.08081	4.3
121.06486	28.8
122.09649	2.1
123.04406	37.8
123.08186	1.1
123.10406	1.3
124.11259	1.4
127.03897	8.6
129.10199	3.6
131.08517	1.1
133.04939	74.5
135.08057	1.9
137.09587	3.5
145.04941	12.7
145.06461	25.5
149.05925	2.1
150.07605	11.6
159.07988	3.5
163.03853	1.6
163.06023	4.3
163.07530	14.1
166.12224	3.9
169.04951	2.0
172.40172	1.0
175.07478	8.8
181.08617	2.4
187.07469	10.8
201.09053	1.3
205.08514	8.6
217.08580	14.7
229.08563	3.3
235.09608	7.6
241.07216	1.5
247.09576	5.7
259.08142	6.2
265.10684	3.5
270.14780	1.5
277.09082	2.6
286.14362	1.7
288.15894	81.8
289.16235	2.4
295.10199	4.6
301.12567	1.4
335.76483	1.2
358.78806	1.4
391.27124	1.1
450.21155	100.0
451.21484	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	449.2527
Annotation	Ugaferin
Peak:m/z	Relative Intensity
51.94851	1.2
55.05495	4.7
57.03451	1.3
67.05490	13.6
69.07056	6.5
71.62959	3.0
79.05494	16.5
81.07055	18.1
83.04965	1.8
83.08614	4.5
87.49204	1.4
88.77557	1.8
91.05464	18.7
93.07032	22.9
95.04935	2.0
95.08601	10.4
97.06506	3.2
97.10141	2.6
98.98470	2.5
99.08101	2.2
105.07027	6.8
107.08585	13.9
109.10125	4.1
109.74554	1.3
111.08081	2.5
117.07004	1.9
119.04930	21.5
119.08546	7.6
121.06486	1.7
121.10130	20.1
123.08004	2.5
129.06960	1.9
131.08568	4.4
133.10110	6.2
135.08020	3.2
135.11681	9.5
137.09593	6.7
145.10092	3.0
147.04390	88.9
147.11697	4.5
149.09637	4.0
149.13310	1.7
151.11186	4.1
153.09076	6.1
159.11649	2.3
165.05455	18.6
171.11716	2.4
179.14212	2.1
188.04666	3.4
203.07008	6.6
203.18037	2.8
213.16409	3.6
231.06447	5.4
231.17441	6.2
249.18468	100.0
267.19537	16.0
270.48004	1.7
287.05408	4.1
303.04840	1.5
308.11234	1.6
351.25311	2.7
357.20999	2.4
449.25186	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.274
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	4.0
55.05502	46.6
57.03430	9.5
57.07066	12.0
67.05202	1.0
67.05496	9.4
69.07057	76.8
71.01319	2.6
71.04968	3.8
71.08623	9.5
73.02892	1.9
73.98457	1.0
79.05463	2.1
81.07043	9.4
83.01331	1.5
83.08606	53.2
84.04416	1.1
85.02885	1.3
85.09782	1.1
85.10172	11.6
87.04478	4.7
89.02367	2.5
91.05428	2.6
93.07027	3.6
95.04901	1.1
95.08588	15.6
97.10155	71.9
98.21486	3.1
98.98445	3.1
101.02369	8.0
105.07010	3.0
107.04956	1.2
109.10149	7.8
111.00768	1.6
111.11702	40.2
115.03905	14.6
119.04913	1.1
119.08544	2.4
121.10046	1.1
123.11659	3.8
125.13230	5.9
129.01814	6.3
130.04988	2.1
133.04971	1.1
135.11713	1.5
136.99965	1.7
137.13239	2.1
139.00365	1.0
143.03389	8.8
147.04385	4.2
147.11667	1.4
155.00984	1.5
156.01366	1.5
157.01303	13.6
161.04419	3.9
171.02832	1.5
172.95218	1.7
189.03918	46.2
190.96230	2.2
191.17929	2.8
193.19502	6.7
199.20538	100.0
200.20869	2.1
207.04971	9.0
209.18877	1.0
211.20638	1.0
235.20525	1.5
243.23082	1.2
299.51935	1.1
318.31403	1.8
319.31787	4.2
320.32169	6.8
399.23230	1.5
449.19925	1.4
449.26031	7.2
449.31207	3.1
449.36679	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	449.2525
Annotation	Leucosesterterpenone
Peak:m/z	Relative Intensity
51.02367	1.9
53.03924	6.2
55.01862	12.8
55.05496	27.4
56.62265	1.7
57.03426	15.5
64.18899	1.9
65.03905	2.3
67.05490	39.9
68.04961	1.6
68.85365	1.8
69.03422	10.1
69.06720	2.6
69.07058	37.7
69.39519	19.1
70.06570	6.3
71.04971	5.7
73.06508	2.3
79.05479	58.2
80.04194	2.0
81.03403	74.3
81.07039	39.8
83.04956	9.3
83.08603	14.8
84.08117	3.9
85.02879	6.6
86.09737	1.8
91.05463	52.5
93.07023	39.7
95.04948	30.1
95.08588	26.0
97.02866	3.7
97.06526	20.3
97.10147	21.8
99.08064	3.1
103.03860	2.2
105.07010	31.5
107.04944	25.5
107.08568	24.0
109.02870	2.1
109.06493	9.5
109.10139	10.0
111.04423	4.8
111.08054	7.3
113.06011	2.0
115.05424	3.1
117.06986	18.5
119.04924	4.3
119.08556	35.2
121.06477	48.7
121.10100	15.0
123.04407	4.8
123.08025	6.9
125.05962	8.2
125.09576	14.4
129.06987	15.9
131.04892	5.0
131.08533	19.5
133.06456	11.8
133.10094	10.5
135.04353	2.9
135.08028	11.9
135.11688	4.7
137.05920	3.8
137.09581	16.0
141.06961	5.0
142.07748	3.2
143.06978	21.3
143.08565	9.4
145.06462	10.0
145.10106	10.9
147.04390	4.5
147.08014	13.7
147.11653	7.5
149.09589	10.9
153.09071	3.7
155.08527	5.6
157.06453	3.6
157.10097	11.5
159.08028	7.1
159.11697	9.1
161.05980	3.2
161.08180	2.4
161.09503	8.9
163.03906	2.4
163.07549	4.2
163.11148	6.6
165.09093	18.4
167.08578	4.0
169.10115	10.9
171.08014	6.5
171.11684	7.2
173.09622	5.8
175.11197	9.8
177.09062	3.0
177.12662	3.0
179.14270	1.9
181.08586	2.6
181.10147	3.6
181.12036	2.4
183.11653	4.8
185.09613	5.1
185.13235	2.9
187.11182	11.4
189.09087	8.4
189.11180	9.7
191.10602	4.5
193.12201	14.1
195.08089	3.0
195.10054	1.9
197.09575	3.8
197.13330	2.5
199.09612	14.8
199.11186	5.7
201.09004	2.2
201.12685	3.4
203.10616	6.0
205.12181	13.0
205.15710	2.0
209.09525	3.1
211.11243	3.5
211.13217	5.0
213.09042	3.0
213.12776	4.2
215.10686	3.5
215.14311	2.5
217.12257	4.5
221.11632	2.6
227.10640	8.0
227.12747	8.1
231.13733	3.8
233.15369	7.7
239.12674	25.0
241.12051	2.6
243.13879	2.9
245.11635	2.8
249.14819	4.2
259.13226	4.9
267.15802	18.0
273.14767	4.7
287.05432	4.5
289.17746	2.0
293.18909	2.3
295.16843	4.4
311.19891	12.2
313.17960	12.0
313.21191	2.4
317.06497	14.5
321.18481	9.9
327.13272	7.3
329.20990	18.5
339.19470	47.4
357.20523	58.3
358.20752	2.5
375.21637	20.9
385.23483	2.1
387.21564	7.6
393.95688	2.0
405.22610	20.6
413.23141	6.6
421.25458	2.1
431.24216	100.0
432.24698	3.9
449.18854	3.8
449.25244	80.0
450.25153	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	449.1074
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.3
55.01862	0.5
55.05502	0.1
57.03424	0.8
59.04986	0.1
60.89202	0.0
61.02917	1.5
65.03918	0.1
67.01846	0.1
67.05486	0.1
68.99779	0.5
69.03417	3.4
70.06580	0.4
71.01362	0.1
71.04977	0.4
71.63071	0.1
72.08138	0.1
73.02901	0.5
74.09700	0.1
79.05469	0.3
81.03404	1.7
81.07049	0.1
83.01323	0.1
83.04991	0.1
84.08147	0.1
85.02890	9.4
86.03233	0.1
86.09700	0.3
87.04449	0.4
91.03953	0.6
91.05454	0.1
93.07038	0.1
95.04955	0.1
95.08590	0.1
97.02876	3.3
99.04436	0.6
99.38362	0.0
101.02386	0.1
103.03931	0.1
103.05446	0.1
105.03369	0.3
105.07045	0.1
107.04939	0.5
109.02107	0.1
109.02860	1.2
109.10127	0.1
111.00797	0.7
111.04430	0.1
115.03886	0.1
115.05431	0.1
120.08082	0.1
121.02847	3.0
127.03890	1.9
127.04872	0.0
129.06947	0.1
133.02847	0.5
135.04385	0.1
137.02315	0.8
141.06976	0.1
145.02832	0.1
145.04933	1.8
145.06447	0.2
147.04382	0.7
149.02264	0.1
153.01799	4.0
154.02141	0.1
157.06467	0.3
161.02303	0.1
161.05928	0.1
165.01804	1.8
169.06537	0.1
171.03069	0.1
171.04369	0.3
173.05956	0.1
175.03854	0.1
175.07574	0.1
177.05502	0.0
183.02873	0.9
185.05946	0.6
189.05423	0.2
197.05988	0.2
203.03305	0.1
203.06938	0.2
213.05444	1.4
214.64070	0.0
229.04941	0.2
229.08598	0.1
231.06439	0.7
241.04912	0.9
242.05702	0.1
243.06396	0.1
245.04317	0.1
258.05185	1.1
259.05972	0.5
263.05508	0.1
269.04205	0.2
270.05096	0.1
286.04562	0.1
287.05444	100.0
288.05777	2.6
288.09076	0.1
293.51382	0.0
299.05557	0.3
329.06494	0.2
353.06378	0.1
413.08517	0.1
449.10254	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	449.2056
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05489	0.3
56.05022	1.9
57.05806	0.3
60.04523	0.4
60.53923	0.2
60.87715	0.3
61.01123	0.7
69.03412	0.9
69.06711	0.5
69.07058	6.8
70.06577	6.9
70.79758	0.6
72.08143	1.9
74.06042	0.6
81.03417	0.6
83.76331	0.3
84.04491	1.4
84.08128	2.7
85.02894	1.1
86.09691	100.0
87.05595	0.3
87.10021	0.7
88.03971	2.6
91.05454	0.9
95.04918	0.3
96.04485	0.7
97.02875	0.3
98.02406	0.8
99.05572	2.3
102.05523	0.6
104.05323	2.0
104.18166	0.2
105.03394	1.8
105.07055	0.4
107.04923	0.4
113.07089	0.4
114.05492	1.6
115.08667	0.3
119.04927	0.3
120.08094	1.4
121.93083	0.3
123.04381	0.4
124.03940	0.7
127.03928	0.8
127.08652	0.4
129.10217	1.7
130.04991	0.8
133.03175	1.0
136.07538	1.0
137.05988	0.5
141.06558	2.6
142.04994	0.6
147.04442	0.9
148.04799	0.5
149.07330	0.4
150.05794	3.3
150.07787	0.3
151.03886	0.6
151.07021	0.5
157.13335	0.8
159.07623	11.0
169.13332	0.3
173.09180	0.4
179.03380	0.5
187.07112	10.5
187.14371	0.3
188.07166	0.4
217.13722	0.3
220.45453	0.2
254.14943	0.5
255.13403	1.2
261.14487	0.3
263.14191	8.6
267.08514	0.4
272.15982	4.3
287.05457	3.8
300.15488	6.3
373.20636	0.3
449.06839	0.4
449.20117	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.228
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98743	0.2
55.01867	2.9
55.05492	0.4
57.03430	4.7
57.07056	0.8
59.04980	0.5
61.02911	1.2
63.36469	0.2
67.05164	0.2
67.05491	1.2
68.96104	0.2
69.03420	2.2
69.07075	1.0
69.55154	1.7
69.95275	0.2
70.06578	0.2
70.79600	0.2
71.01344	1.5
73.02905	2.6
79.05469	0.5
81.03388	0.2
81.07037	1.8
82.20290	0.2
83.08630	0.2
85.02416	0.3
85.02895	3.8
85.06050	0.2
85.06525	2.5
86.09710	0.3
87.04447	0.7
91.05476	0.3
93.07012	0.4
95.08599	1.7
97.02885	1.4
97.06470	0.3
99.04453	0.3
103.03926	0.7
107.08566	0.2
109.06507	0.2
115.03918	1.8
116.68430	0.2
123.05527	2.7
123.07974	0.2
124.03933	0.3
129.04446	0.6
133.04939	3.5
145.03966	0.3
147.05585	0.2
147.11649	0.2
153.01799	0.4
157.03923	0.5
158.05971	0.3
163.05017	6.3
170.09691	0.3
172.07533	0.2
175.05005	68.0
176.05450	1.0
184.07564	0.4
188.10689	0.2
189.06583	1.8
195.13782	1.0
198.09126	0.3
200.10645	0.3
201.06580	1.9
203.07959	0.2
212.10582	0.2
215.08182	0.2
217.09825	0.2
235.13278	0.3
254.15305	0.6
256.17007	0.3
273.19608	0.4
281.16415	0.2
287.05469	6.7
287.14423	0.2
288.05777	0.6
299.17511	19.6
300.15488	1.2
303.04895	0.2
317.18549	100.0
318.18881	3.5
422.25214	0.3
444.85004	0.2
449.10876	1.7
449.22754	5.4
450.11142	0.4
450.23560	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.0836
Annotation	XL147
Peak:m/z	Relative Intensity
62.59139	0.7
69.66573	5.9
70.06594	1.0
98.21458	1.7
107.89619	0.8
181.98245	1.0
294.70731	0.9
303.05124	0.9
449.08374	100.0
450.08493	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.107
Annotation	Quercetin-3-Rhamnoside
Peak:m/z	Relative Intensity
55.05488	0.6
56.05021	0.4
57.03427	3.7
59.04976	0.4
63.52584	0.3
67.05478	0.7
68.28017	0.3
69.03397	0.7
69.07046	0.4
69.50922	1.4
69.51357	1.4
70.06571	2.2
71.01318	0.5
71.04980	29.7
72.08141	0.8
73.02898	0.5
73.41924	0.3
75.04457	1.0
77.15130	0.3
79.05479	0.5
81.03394	0.5
83.04988	0.5
84.04523	0.3
84.08121	1.4
85.02890	28.6
86.03204	0.3
86.09700	1.6
87.04443	0.6
91.05445	0.5
93.07021	0.4
95.04958	0.4
97.20049	0.3
102.05611	0.4
107.04939	0.7
107.08566	0.4
109.02867	0.9
109.80087	0.3
111.00763	0.8
111.04440	0.3
118.13065	0.4
119.08574	0.5
120.08099	0.3
121.02831	1.0
123.04426	0.5
127.03885	0.5
129.05463	7.2
129.10234	0.6
130.08743	0.3
136.07556	0.4
137.02321	4.2
145.23303	0.3
147.06464	1.6
149.02361	0.6
152.71451	0.3
153.01793	3.6
161.06033	0.4
163.03862	0.4
165.01782	1.7
165.11125	0.4
173.05930	0.5
183.02858	1.0
187.03944	0.4
201.05486	2.2
219.02844	0.4
219.06631	0.5
229.04944	3.6
234.99017	0.5
236.90128	0.5
242.58809	0.3
247.06032	0.8
257.04401	2.9
273.03848	0.6
274.04675	0.5
285.03894	1.3
287.05606	0.3
303.04941	100.0
304.05215	2.4
315.04984	0.6
345.06021	0.9
363.11032	0.8
395.07593	0.4
413.08694	0.5
448.72430	0.5
449.09058	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1072
Annotation	Kaempferol-3-Glucoside
Peak:m/z	Relative Intensity
53.03932	0.4
55.01855	0.5
57.03431	0.9
59.04976	0.1
60.22586	0.1
61.02918	1.2
64.25616	0.1
68.99780	0.6
69.03415	3.6
69.71993	0.5
70.06575	0.2
71.04977	0.4
72.08137	0.1
73.02898	0.4
77.10395	0.1
79.05480	0.2
81.03407	1.7
81.07073	0.1
83.01324	0.2
84.08136	0.1
85.02888	9.8
86.03260	0.1
86.09692	0.2
87.04459	0.3
91.03950	0.5
91.05484	0.1
95.04961	0.1
97.02873	3.3
99.04428	0.6
99.44398	0.1
101.02374	0.1
103.05424	0.1
103.50620	0.1
105.03357	0.3
107.04934	0.3
109.02854	1.1
111.00788	0.7
111.04401	0.1
115.03920	0.2
115.87833	0.1
119.04954	0.1
120.08049	0.1
121.02843	2.7
121.06471	0.1
127.03886	2.0
133.02837	0.4
135.04422	0.1
137.02325	1.0
141.06981	0.1
145.04933	1.8
145.06454	0.2
147.04362	0.6
153.01797	4.3
154.02022	0.1
157.06477	0.4
161.05969	0.2
165.01808	1.9
171.02933	0.1
171.04419	0.2
183.02867	0.9
185.05940	0.6
189.05453	0.1
197.05940	0.1
203.03430	0.1
203.07030	0.2
213.05418	1.5
217.04906	0.1
229.04958	0.3
231.06439	0.8
241.04886	0.8
242.05544	0.1
243.06456	0.2
245.04326	0.1
258.05194	1.2
259.05969	0.4
259.49133	0.1
269.04526	0.2
286.04599	0.1
287.05441	100.0
288.05792	2.6
288.09109	0.1
299.05505	0.2
329.06439	0.3
353.06558	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	449.1073
Annotation	Quercetin-3-O-alpha-L-rhamnopyranoside
Peak:m/z	Relative Intensity
53.03930	0.8
55.01863	0.4
55.05494	0.4
56.05015	0.5
57.03417	0.8
58.41298	0.2
60.42894	0.2
61.02915	1.4
67.05489	0.6
68.99770	0.4
69.03418	3.5
69.07063	0.3
70.06575	0.7
71.04974	0.8
71.17097	0.2
71.17429	0.4
72.08156	0.2
73.02902	0.6
79.05475	0.6
80.05824	0.2
81.02953	0.3
81.03401	2.0
81.07045	0.7
83.01339	0.3
83.08571	0.4
84.08129	18.7
85.02890	10.2
86.03227	0.3
86.09692	11.8
87.04453	0.4
91.03944	0.7
91.05452	0.9
93.07035	0.8
95.04968	0.4
95.08584	0.5
97.02882	3.9
97.06498	0.4
99.04438	0.7
101.10762	0.7
102.77324	0.2
103.05449	1.3
105.03394	0.4
105.06995	0.4
107.04935	0.7
107.08559	0.5
109.02865	1.1
109.10129	0.4
111.00764	0.8
119.08650	0.2
120.08086	43.2
121.02862	2.6
121.06517	0.2
121.10165	0.3
127.03895	2.2
128.10703	3.9
129.10222	9.2
130.08615	8.9
133.02855	0.7
137.02336	0.9
145.04939	1.5
145.06456	0.3
145.10098	0.3
147.04416	0.5
147.11266	8.7
153.01801	4.7
156.10152	0.4
157.06429	0.5
161.05989	0.3
163.11156	0.3
164.11432	0.2
165.01781	1.5
171.04362	0.3
183.02884	0.9
185.06012	0.6
185.43993	0.2
187.11156	0.2
188.11450	0.3
206.12590	0.2
210.51674	0.2
213.05469	1.5
215.10663	0.2
216.10994	0.2
231.06506	0.7
234.12239	0.3
241.04964	1.0
249.72900	0.2
251.19937	0.3
258.05173	1.1
259.06094	0.5
259.14175	0.3
269.21152	0.5
276.17108	0.8
277.15417	0.3
285.15921	0.4
287.05450	100.0
288.05734	2.3
294.18082	5.8
303.04916	0.4
303.16953	0.6
369.72665	0.2
449.14368	0.9
449.27527	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	448.3904
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	2.3
57.07058	5.4
67.05492	2.6
69.07067	5.5
71.08602	2.3
71.28460	2.9
72.08945	1.3
78.66212	1.2
81.07036	2.5
83.08581	4.0
85.10169	2.0
92.94396	1.3
93.07053	1.7
97.10136	3.1
109.10146	4.8
111.11703	2.8
118.31386	1.2
119.08562	3.0
121.06490	9.4
122.07303	1.8
125.13229	1.2
136.08821	14.0
137.09608	12.1
139.07480	2.2
149.02341	6.6
149.09598	2.3
150.02710	1.4
151.07570	2.0
164.08311	32.6
165.09096	100.0
166.09503	3.4
205.12259	7.6
384.28400	1.2
425.36929	1.2
430.38000	86.7
431.38315	3.7
448.38416	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	448.2171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.7
55.01867	2.3
55.05504	1.9
57.03420	2.5
61.02916	1.7
62.16026	0.7
67.05493	5.1
68.99803	1.1
69.03419	5.9
69.07045	5.1
69.61263	6.7
70.06581	4.3
71.04984	8.6
72.08127	1.2
73.02876	1.2
78.38101	0.7
79.05477	8.8
81.03397	3.3
81.07043	9.1
81.08889	0.8
83.04963	8.9
84.08128	5.1
85.02892	18.6
86.09695	5.0
91.05465	6.0
93.07027	12.4
95.04946	4.3
95.08595	6.0
97.02890	6.0
97.06529	9.2
99.04450	3.7
102.53185	0.8
103.05458	2.0
105.03366	0.8
105.07027	14.0
107.04939	6.1
107.08582	9.2
109.02856	1.9
109.06504	6.0
109.10150	0.9
109.16891	0.8
111.00803	1.3
111.08090	1.4
117.07027	4.0
119.04952	3.3
119.08566	6.6
120.08099	10.7
121.02843	2.6
121.06493	9.9
121.10143	1.7
123.04411	1.3
123.08101	1.1
125.05976	13.4
127.03892	3.1
127.07559	0.9
129.05489	2.3
129.07005	1.3
129.10220	3.1
130.07788	0.8
130.08662	1.7
131.08540	5.7
133.06470	2.5
133.10124	2.2
135.04436	1.9
135.08052	4.3
135.11699	4.7
137.02336	2.4
137.05974	5.6
137.13280	1.1
139.07526	3.2
141.06985	1.7
143.07022	10.0
143.08553	2.3
145.04942	2.7
145.06468	2.1
145.10103	21.9
147.08018	1.2
147.11711	5.1
149.09525	0.9
151.07521	1.7
153.01820	4.0
153.12683	0.8
154.07768	1.4
157.08614	3.2
157.09973	0.8
158.07283	1.8
159.07985	2.1
159.11655	12.9
161.09671	1.1
161.13257	2.2
163.11159	26.9
165.01797	1.7
168.20630	0.7
169.10104	4.4
172.08836	1.4
173.06038	0.9
173.09593	19.7
177.12755	2.1
179.08510	2.3
181.12221	8.3
183.02927	1.2
187.11154	15.6
189.12801	1.9
191.10617	9.3
197.09599	4.3
205.12213	11.4
209.11726	2.1
213.05482	1.5
215.10641	23.1
227.12732	7.5
233.11690	40.5
234.12054	1.0
241.04869	1.4
245.64755	0.8
251.12755	39.7
252.13043	1.3
258.05130	0.9
269.13797	5.9
275.49799	0.8
286.17294	1.3
287.05463	100.0
294.18088	1.2
303.04968	19.5
349.73889	0.9
448.18399	1.0
449.14090	2.3
449.27463	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	448.1443
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	4.9
55.01854	6.0
56.05034	1.2
57.03432	4.9
61.02914	9.5
67.05489	1.8
68.99783	1.9
69.03071	1.3
69.03421	20.1
69.07052	2.7
70.06577	7.2
70.54794	4.0
71.04977	3.1
72.08122	2.7
73.02898	6.9
75.42138	1.2
79.05495	7.4
81.03403	18.1
81.07030	2.8
84.04488	2.0
84.08115	5.4
85.02889	54.0
86.09689	5.5
87.00824	17.7
87.04449	1.1
91.03942	3.8
91.05463	1.8
93.07038	2.1
95.04945	2.0
95.08576	2.9
97.02875	25.9
97.06492	2.3
99.04444	9.7
105.01846	22.1
105.07023	2.7
107.04936	13.8
107.08560	2.3
109.02872	20.5
115.03894	1.4
117.01846	2.5
119.08566	1.9
120.08054	1.7
121.02843	2.3
122.02689	2.7
123.08042	4.2
124.05194	13.7
125.05967	1.2
127.03899	42.6
129.01820	1.7
129.10196	1.9
131.08589	1.2
133.10104	1.1
137.02342	1.5
143.08661	1.3
145.04948	20.6
145.10092	2.6
147.04355	1.7
147.11662	1.7
149.02277	1.4
151.03879	30.2
151.07474	1.4
153.01794	3.4
157.06482	1.1
159.02870	12.2
159.11638	1.8
160.67239	1.0
165.01826	1.6
173.12996	1.0
183.06502	97.5
184.06967	1.1
201.05345	1.0
205.12341	1.1
213.03775	2.5
216.61034	1.0
231.04910	8.6
233.11748	1.1
247.06013	1.7
249.05916	1.1
251.12694	1.2
251.16426	1.1
258.05289	1.3
268.56412	1.0
269.13562	1.0
286.14325	2.1
287.05450	100.0
291.19547	2.3
309.20474	1.7
430.22656	1.4
448.07162	38.9
448.19803	2.0
449.06866	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	448.163
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18271	1.1
55.05480	1.9
56.53307	1.1
57.07067	65.7
59.40022	1.2
61.91064	1.4
67.05483	4.5
69.89558	5.0
69.89974	2.1
70.06573	3.0
71.04965	1.9
72.08126	2.4
79.05479	32.2
81.03392	2.0
81.07039	2.8
83.04952	1.4
84.08121	2.4
85.02890	2.0
85.06532	100.0
86.06840	1.2
86.09701	4.0
87.00845	2.2
91.05461	7.5
93.07036	2.6
95.04942	4.6
95.08575	1.6
98.20762	1.3
105.07021	2.6
106.07369	1.1
107.04941	84.3
110.07115	3.1
111.02661	2.7
116.07039	1.7
117.06999	3.4
119.08582	2.5
123.02626	1.3
128.06157	1.3
133.10172	1.4
135.02620	1.3
135.04347	1.6
137.00560	2.0
139.07520	31.2
143.08540	3.2
145.10120	1.4
149.04198	1.2
163.11140	2.5
167.01601	1.9
171.07933	1.3
173.85759	1.2
177.07355	1.2
181.03160	2.2
191.10649	45.6
192.10950	2.1
209.11827	1.5
223.07831	13.5
223.13258	42.9
224.13644	1.8
287.05560	2.4
294.06262	1.4
295.09940	9.3
327.12289	1.4
338.12610	1.6
361.93607	1.6
399.11053	2.8
448.18597	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2498
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92688	0.4
53.03951	0.8
55.01619	0.7
55.01864	10.4
55.05499	27.7
57.03426	33.7
57.06816	0.7
57.07067	8.7
57.96603	0.4
61.19376	0.4
67.05491	7.7
69.07054	29.1
69.46219	0.6
69.46622	3.6
71.08613	5.1
73.02898	0.8
79.05045	0.6
79.05478	5.6
81.03385	0.5
81.07047	7.7
83.04954	1.5
83.08604	24.0
84.27140	0.4
85.02880	1.0
85.10162	1.7
85.34322	0.4
91.05461	1.1
93.07023	5.4
95.04960	0.5
95.08595	5.8
97.06529	2.3
97.09521	0.8
97.10150	14.0
98.98447	50.1
107.08591	2.2
109.10143	1.9
111.04433	0.6
111.08055	1.2
111.11708	3.4
116.99490	1.8
118.06550	0.5
120.74899	0.5
121.10122	4.8
123.11722	0.9
125.13251	0.6
129.05400	0.7
134.30722	0.5
135.11668	2.9
136.99960	53.8
137.13210	0.5
137.84451	0.5
138.00366	0.7
139.11122	0.7
140.01059	0.5
146.09641	0.5
149.13237	0.5
155.01010	42.4
178.02637	1.1
181.02658	0.5
182.64301	0.5
193.02568	9.0
193.04190	0.8
211.03633	6.5
212.37459	0.4
219.21124	1.1
237.22073	10.5
250.42563	0.4
265.04733	1.0
293.24615	1.4
311.25751	37.5
312.26178	1.9
316.30032	0.5
317.30228	3.5
318.31461	1.2
447.24994	100.0
447.32477	4.7
448.25363	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	446.2016
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.2
55.01847	1.6
55.05489	1.9
57.03414	2.7
60.04502	0.8
61.02893	1.2
62.06057	1.6
67.05492	2.8
69.03412	5.1
69.07053	0.9
70.06585	5.5
70.76382	2.5
71.04971	3.8
72.08138	2.3
73.02912	1.3
78.91726	0.8
79.05466	4.0
81.03391	6.0
81.07037	1.9
83.04948	0.9
84.04481	2.3
84.08134	2.0
85.02415	1.4
85.02887	18.8
86.09693	5.4
87.00800	1.9
91.05460	4.8
93.07031	2.5
95.04935	2.2
95.08566	1.2
97.02865	7.4
97.06536	1.4
99.04442	11.3
103.03920	16.5
103.05404	1.5
105.01842	2.4
105.07011	100.0
106.07312	1.5
107.08601	1.3
109.02882	6.0
109.10140	1.4
110.07126	1.0
113.05971	3.5
117.05441	3.2
119.08568	1.6
120.07989	1.0
121.06474	1.2
121.10117	1.7
123.04427	1.0
127.03889	27.1
129.10156	1.9
130.04932	1.1
131.08543	1.0
141.05443	2.4
143.08517	1.6
145.04929	13.7
145.05972	1.4
145.10107	2.7
157.10114	2.5
159.06572	2.0
159.07932	2.0
161.09634	1.0
162.09097	0.9
163.03947	1.4
163.05983	14.5
167.05530	1.4
169.04959	0.9
181.08615	1.5
185.09575	1.4
187.05946	1.4
198.14828	1.0
203.10591	1.3
205.07011	2.1
213.09082	2.9
231.10083	2.9
247.08142	0.8
249.11072	1.5
249.14865	1.4
271.08228	2.1
289.09094	1.6
303.04916	3.4
307.10196	2.5
314.09140	1.0
360.02780	1.5
446.17514	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2444
Annotation	Asp-Leu-Leu-Ser
Peak:m/z	Relative Intensity
55.05494	4.3
56.05025	7.1
57.03440	0.6
58.06581	3.2
60.04519	3.1
60.71421	0.5
67.05473	0.6
69.07058	1.8
69.50867	4.1
70.06582	4.2
71.07361	0.5
72.08141	38.6
73.04022	2.2
73.04697	0.7
73.08492	0.7
74.05643	0.9
74.06064	15.5
79.05467	0.7
82.06558	0.7
84.04494	7.5
84.08131	4.3
85.02884	0.8
86.06074	0.6
86.09689	100.0
87.10009	1.3
88.03979	1.3
91.05797	2.9
96.08141	1.2
97.02902	0.6
97.46181	0.5
101.07119	17.6
102.03795	0.6
102.05518	2.4
107.04932	1.1
110.07140	1.6
110.09668	4.2
112.07590	1.5
112.11222	1.6
116.98624	0.7
120.08067	0.9
122.05979	0.6
127.03857	1.2
128.10690	12.9
129.10217	5.9
130.04919	0.9
134.04478	1.6
136.07559	0.7
138.09111	1.2
148.05998	0.8
149.02318	1.2
149.07445	2.2
151.03865	1.4
155.11769	2.2
156.10197	1.2
162.09183	0.5
163.07512	0.7
173.12827	71.1
174.11122	0.8
174.13213	0.7
177.05417	0.6
183.11316	0.7
185.16472	1.4
187.10751	1.2
187.14337	1.4
199.18071	3.2
201.12306	45.9
202.12811	0.5
213.15868	0.6
215.10197	1.4
215.13893	1.6
219.13353	1.2
221.07608	3.1
227.17563	1.6
228.13132	0.6
229.11794	2.3
233.11195	1.2
233.14944	1.4
247.12849	57.1
248.13240	1.7
261.14420	1.1
269.18533	2.2
282.18103	0.9
300.19098	0.6
314.17285	0.7
314.20657	8.6
317.11563	1.8
330.16769	0.6
346.19812	0.6
361.02490	1.5
404.62894	0.5
425.43497	0.6
429.23407	1.6
447.12277	3.2
447.18146	1.1
447.24185	2.2
447.57993	0.9
448.19370	0.8
473.22079	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03460	1.8
60.04504	0.4
69.03426	1.8
70.01322	1.4
70.06573	1.4
71.04969	0.4
71.65273	0.3
72.08138	0.8
73.02888	0.6
73.04745	0.9
80.04993	0.6
81.03405	1.5
81.04525	35.5
82.04874	0.4
84.04477	0.9
84.08134	2.6
85.02899	2.2
86.09682	2.7
91.05777	3.2
92.05732	0.7
97.02859	1.6
99.04437	2.9
102.05562	0.4
103.03924	1.8
104.07072	1.2
109.02863	1.1
122.07128	100.0
123.07460	1.4
124.08662	0.9
127.03895	2.1
128.99869	0.3
129.10204	1.8
140.08160	51.2
141.08574	0.8
146.07117	0.4
152.05612	0.8
164.08138	0.7
167.05569	1.1
179.62012	0.4
182.09296	0.6
207.86407	0.4
266.31387	0.4
302.13312	3.5
344.14429	0.4
359.02917	0.6
360.02789	1.5
361.02609	0.5
384.17590	2.9
386.15512	1.1
428.16565	0.6
446.17621	93.0
447.18082	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	446.2015
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	3.8
55.24313	1.1
57.03414	2.7
59.91954	1.0
61.02907	2.5
66.10479	1.0
69.03421	11.7
69.07030	1.0
70.06576	3.0
70.80565	2.7
70.80919	2.0
71.04970	4.0
72.08132	1.4
72.82986	1.0
73.02892	4.0
79.05502	1.6
81.03414	11.0
83.04990	1.4
84.08111	2.6
85.02886	69.8
86.09683	4.8
87.09989	1.2
89.06020	2.3
89.13016	1.0
91.03888	1.2
91.05409	1.6
95.04959	1.5
95.08571	1.6
97.02871	25.2
99.04434	37.8
103.03922	88.6
105.07012	55.6
107.08590	1.3
109.02862	18.8
119.08550	2.5
127.03890	100.0
128.04153	1.3
131.08575	1.5
143.08540	1.3
145.04932	63.6
157.10052	1.7
159.08040	1.3
163.05986	70.3
164.06303	1.5
169.04964	1.2
185.09547	1.3
187.05974	6.0
205.06979	3.8
213.09079	1.8
253.07146	1.2
271.08081	10.1
289.09103	8.7
299.42099	1.1
307.10165	16.0
308.10486	1.0
319.46780	1.1
400.52411	1.1
411.16696	1.5
469.59647	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.4189
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73647	0.2
55.45124	0.2
61.01907	0.2
64.28545	0.2
69.50215	1.3
69.50623	0.4
84.48564	0.2
87.04436	0.4
95.36632	0.2
106.06521	0.3
118.06520	5.3
118.60340	0.2
120.08062	0.3
130.06458	0.4
130.38341	0.2
131.07320	0.3
131.61028	0.2
132.08073	2.4
133.08832	0.6
134.09592	0.2
144.08084	0.5
146.09616	6.5
151.09796	0.3
160.11232	1.1
162.09103	6.9
174.09096	0.4
174.12741	0.5
176.10674	4.7
177.11449	0.7
178.12239	0.3
188.14285	0.4
190.12238	8.1
190.13963	0.5
202.15889	0.3
204.13838	1.5
204.91351	0.2
216.17459	0.5
218.15384	0.9
230.19034	0.3
232.16922	0.8
244.20497	0.2
246.18439	0.9
246.22166	0.3
258.22128	0.4
260.20010	0.4
272.23755	0.9
274.21579	0.4
274.25082	0.5
286.25104	0.3
288.23077	0.3
302.24753	0.6
316.26251	0.8
318.27768	0.3
330.27975	0.4
330.31494	1.5
344.33133	3.1
345.33502	0.3
358.34552	1.8
400.39288	7.8
401.39633	0.4
426.40811	0.4
430.77017	0.2
444.42239	100.0
445.42709	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	445.265
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.6
53.68224	0.5
54.85274	0.4
55.01873	0.8
55.05503	8.1
56.05042	1.1
57.03428	0.6
57.05807	0.5
60.04519	0.4
61.02935	0.5
65.03924	0.5
66.54177	0.4
67.05505	1.3
69.03420	1.6
69.07047	2.2
69.65281	3.4
70.06581	11.3
70.06941	0.8
71.04987	0.9
71.06905	0.8
72.08144	100.0
73.04746	1.3
73.08477	0.9
74.06081	0.7
79.05494	1.0
81.03402	1.3
81.07048	0.9
82.07372	0.4
83.04966	0.9
83.08595	0.6
84.04490	4.6
84.08131	4.5
85.02893	2.9
85.06536	0.6
86.09693	55.9
87.00801	0.6
87.09469	0.4
87.10027	1.5
88.03977	3.3
91.05839	4.9
93.07027	1.6
95.04955	0.4
95.08582	0.5
97.02876	1.6
97.06524	0.9
98.97543	0.5
99.04410	1.1
102.05514	3.1
103.03920	1.1
105.07008	1.6
107.08554	1.3
109.02866	1.3
109.06493	0.4
110.02390	0.6
110.07178	0.5
113.10757	0.8
114.07381	0.5
115.03900	0.5
115.08597	0.5
117.06995	0.5
119.08514	0.8
120.08086	1.6
121.06477	0.6
121.10097	0.6
123.04407	1.0
123.08047	0.7
127.03893	2.1
129.06595	0.7
129.10190	2.2
130.04944	0.5
131.08542	0.5
132.10182	6.9
133.10043	1.2
135.08029	0.7
135.11681	0.6
141.06506	0.5
141.10182	1.9
143.11737	1.3
145.04924	1.1
145.10069	1.0
147.04369	1.3
148.06030	1.1
149.07399	1.0
151.07458	0.7
153.10216	0.7
155.08205	0.5
156.10092	0.6
157.13348	4.1
159.07957	0.5
163.03906	0.7
163.06082	0.7
163.07535	0.6
163.11107	0.5
166.08586	1.4
167.05492	1.9
169.09700	1.4
170.11694	0.5
171.14908	27.5
172.15157	0.7
173.09245	1.3
179.06908	0.7
179.10617	0.6
179.14285	0.5
181.89375	0.4
183.07626	0.4
183.11192	0.9
183.14870	0.8
185.12851	4.5
185.16423	1.1
187.10765	2.6
190.72310	0.4
195.07693	0.4
197.08031	1.3
197.11430	0.9
197.12828	1.6
199.14401	20.8
199.18030	1.2
201.10547	1.1
201.12292	4.7
203.12453	0.4
203.13911	5.3
204.48363	0.4
212.09099	1.8
213.15924	1.3
215.10416	2.5
215.13867	5.9
219.13651	1.0
221.15259	0.6
225.04205	0.7
225.12350	0.5
227.17413	0.9
229.11845	2.8
229.15382	0.5
231.06554	0.5
233.15012	0.6
234.21539	0.4
243.13350	9.0
247.12880	21.5
261.14410	5.2
265.14255	1.2
265.17679	0.4
283.07233	0.4
283.15451	0.6
298.20996	1.0
314.17056	9.3
332.18002	1.1
338.20612	0.7
342.99646	0.5
346.19397	1.6
356.22330	0.5
359.02850	3.9
360.02509	0.8
383.88239	0.5
386.62167	0.4
406.41306	0.5
410.52264	0.5
445.10660	0.5
445.16003	0.9
445.25952	3.3
446.13071	0.7
453.71490	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.4194
Annotation	Unknow
Peak:m/z	Relative Intensity
56.54992	0.1
57.07040	0.1
57.08181	0.1
62.52052	0.1
87.04457	0.3
106.06553	0.1
107.07342	0.2
115.05398	0.1
118.06522	3.4
118.07323	0.2
119.07322	0.1
120.08091	0.2
129.07021	0.2
130.06549	0.3
131.07347	0.3
132.08075	2.3
133.08887	0.8
134.09676	0.1
137.08459	0.1
144.08040	0.5
146.09621	4.9
151.09930	0.3
158.09639	0.2
160.11212	1.0
162.09116	5.0
163.09956	0.1
172.11145	0.2
174.09178	0.4
174.12814	0.3
175.09895	0.2
176.10696	4.8
177.11449	0.7
178.12212	0.1
188.10730	0.2
188.14355	0.4
190.12242	8.1
191.12782	0.2
202.15955	0.3
204.13824	1.7
216.17531	0.3
218.15410	0.5
230.19104	0.2
232.16870	0.8
244.20654	0.2
246.14897	0.1
246.18507	0.7
246.22223	0.4
258.22302	0.2
260.16681	0.1
260.20209	0.5
267.71603	0.1
272.23648	0.5
274.21707	0.3
274.25308	0.3
281.79486	0.1
286.25400	0.2
288.23288	0.3
288.26920	0.2
290.24902	0.2
302.24734	0.6
304.26181	0.1
316.26321	0.7
318.27893	0.2
330.27966	0.2
330.31400	1.2
358.34634	1.4
400.39325	6.7
401.39825	0.4
426.41016	0.4
444.42090	100.0
445.42477	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	444.3828
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28480	0.1
56.88549	0.2
59.35443	0.1
66.63680	0.1
70.75304	0.1
71.34864	0.3
80.04205	0.1
87.04442	0.2
112.85591	0.2
118.06528	2.2
129.06961	0.2
132.08083	1.1
133.08844	0.2
134.09598	0.2
144.08054	0.3
145.08867	0.2
146.09619	2.1
158.09572	0.3
160.11154	0.8
171.17162	0.2
172.11206	0.4
174.12813	0.2
179.09389	0.3
190.08600	9.2
190.12210	0.4
202.08533	0.7
203.09332	0.2
204.10175	4.6
205.10945	0.5
216.10124	0.3
216.17430	0.3
218.11732	9.0
219.12241	0.3
232.13261	2.0
244.20662	0.2
246.14891	0.8
246.21954	0.3
258.22131	0.3
260.16351	0.7
272.23550	0.3
274.17929	0.8
279.18903	0.2
285.87332	0.2
288.19455	0.5
300.26859	0.2
302.21155	0.3
316.22537	0.6
318.24222	0.4
330.24170	0.5
344.25760	0.5
344.32993	0.5
346.27264	0.3
358.27145	0.2
358.34570	0.6
372.36139	2.2
398.37576	0.3
400.39178	0.5
444.38177	100.0
445.38550	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	444.3833
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12895	0.3
55.05506	0.7
59.04972	1.4
64.32600	0.3
87.04500	0.4
93.05771	0.6
107.07339	1.0
110.49609	0.4
117.05765	0.6
118.06531	13.1
120.08126	0.9
129.35756	0.4
130.06508	0.6
131.07303	0.9
132.08075	8.7
133.08856	2.5
133.86125	0.4
134.07887	0.4
144.08046	0.7
146.09624	18.3
147.10202	0.5
160.11234	3.1
162.09137	6.1
168.35289	0.4
174.09099	0.4
174.12776	0.8
176.10693	6.0
177.11494	0.9
188.14342	1.3
190.12247	8.2
202.15833	1.3
204.13841	1.8
216.17485	1.3
218.11827	0.8
218.15384	0.9
218.18979	1.2
229.78787	0.4
230.19107	1.4
232.13248	1.4
232.16925	1.0
240.53018	0.4
244.20547	1.5
246.14874	2.3
246.18457	0.9
246.22061	1.1
255.96848	0.4
258.22302	0.7
272.23770	0.8
274.25290	0.9
286.25366	0.6
288.23175	0.5
302.24658	0.6
316.26285	1.0
344.33093	39.6
345.33347	1.6
358.34579	1.8
400.39297	7.2
401.39343	0.4
429.94739	0.4
444.38037	100.0
444.42401	66.5
445.38538	4.1
445.42990	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.3827
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74829	0.2
53.25883	0.2
54.10503	0.2
70.55476	0.8
86.77630	0.2
87.04450	12.2
107.07327	0.4
118.06519	8.2
120.08080	0.3
130.06485	0.4
131.07199	0.4
132.08067	4.2
133.08853	1.2
134.09666	0.3
141.32693	0.2
144.08081	0.4
146.09618	9.4
158.09535	0.2
160.11172	1.5
174.12704	0.5
188.14285	0.7
202.15891	0.6
204.10133	0.7
216.17365	0.8
218.11749	0.4
218.19115	0.4
219.12558	0.2
230.18999	0.6
232.13278	0.8
232.20641	0.3
246.22234	0.3
258.22223	0.4
260.23715	0.2
272.23663	0.4
274.25122	0.4
282.27051	0.2
286.25311	0.3
358.34607	45.7
359.34937	1.6
444.38269	100.0
445.38611	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	444.3828
Annotation	Unknow
Peak:m/z	Relative Intensity
62.47743	0.2
63.36966	0.2
70.83140	0.4
70.83485	0.3
87.04449	11.3
87.26382	0.2
107.07306	0.3
118.06519	5.5
120.08063	0.3
130.01544	0.2
130.06383	0.3
131.07249	0.2
132.08063	5.0
133.08853	1.3
134.09647	0.3
144.08055	0.3
146.09621	9.4
160.11179	1.5
168.54190	0.2
174.12738	0.6
188.14326	0.6
202.15851	0.9
204.10146	0.5
216.17438	0.5
218.11732	0.7
218.18987	0.4
230.18916	0.7
232.13271	0.6
232.20561	0.5
244.20668	0.5
246.22202	0.4
258.22134	0.5
260.23511	0.3
272.23795	0.3
274.25360	0.3
286.25320	0.3
287.07257	0.2
358.34607	41.6
359.34875	1.7
444.38278	100.0
445.38589	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	444.3829
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	0.6
59.04974	0.9
61.67505	0.3
70.01951	0.8
70.02341	0.8
83.04913	0.4
87.04449	1.5
92.20715	0.3
107.07291	1.1
117.05714	0.5
118.06517	16.9
120.08064	1.0
130.06561	0.6
131.07285	0.8
132.08060	9.3
133.08861	2.3
144.08054	1.0
146.09621	18.7
160.11203	3.1
162.09113	7.3
163.09843	0.5
164.10841	0.3
174.09134	0.4
174.12796	1.4
176.10674	5.3
177.11465	0.8
188.14334	1.5
190.12219	8.9
202.15851	1.3
204.13806	1.4
204.17238	0.4
216.17445	1.4
218.11687	1.6
218.15321	0.5
218.18988	1.4
230.19026	2.1
232.13248	1.0
232.16885	0.8
232.20593	0.6
244.20667	1.9
246.14851	2.0
246.18382	0.6
246.22093	2.4
258.22110	0.6
260.20129	0.7
272.23724	0.7
274.25241	0.8
288.22894	0.4
302.24524	0.8
316.22925	0.5
316.26279	1.1
318.28058	0.5
330.28006	0.4
330.31400	1.3
344.33047	41.9
345.33466	0.9
358.34601	5.4
384.36057	0.7
400.39294	9.3
426.40332	0.4
444.38010	100.0
444.42383	63.0
445.37665	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	443.1899
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.4
55.05498	1.5
57.03423	2.4
65.42051	1.0
67.05493	6.9
69.03422	13.0
69.07049	4.0
70.06567	3.2
71.04974	3.5
72.08113	1.3
73.02921	1.1
76.79073	1.0
79.05475	5.5
81.02965	1.9
81.03406	21.3
81.07040	12.8
83.08631	1.2
84.08119	2.1
85.02894	15.1
85.06529	1.5
86.06055	1.3
86.09686	2.3
87.00822	4.9
91.05469	2.3
93.07029	9.6
95.04945	1.1
95.08589	4.7
96.35627	1.1
97.02857	3.2
97.06538	1.9
99.04438	8.9
105.01836	3.3
105.07011	1.8
107.04947	3.9
107.08575	8.6
109.02860	17.3
109.10145	2.4
117.07018	1.5
119.08585	1.6
120.08075	1.3
121.06446	1.6
121.10111	5.2
125.06026	1.5
127.03901	46.5
129.10182	1.2
131.08585	1.3
135.11679	1.5
142.93370	1.1
145.04915	1.4
145.10188	1.5
149.09679	1.2
149.13240	31.5
159.11652	2.8
165.09111	1.6
177.12686	6.9
187.06007	3.3
194.89630	1.2
195.13765	20.5
213.03897	6.8
213.12950	1.7
213.14780	9.9
231.05032	4.5
255.15901	1.1
298.12375	1.3
357.18805	8.1
399.19885	23.0
425.17996	3.3
443.18835	100.0
444.18851	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	443.2974
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45646	0.2
56.05032	0.3
56.95011	0.2
57.03430	0.3
57.05794	0.3
60.04515	0.4
60.05640	6.5
63.71877	0.2
67.05493	0.4
69.03416	0.4
69.07059	8.3
69.30044	1.1
69.30465	1.7
70.06584	22.1
71.04974	0.3
71.06906	0.2
72.04491	0.4
72.08154	2.1
82.79592	0.2
84.08138	0.9
85.02902	0.7
86.09696	100.0
87.00802	0.4
87.10031	1.0
95.04928	0.3
97.02885	0.5
97.07648	0.5
98.21438	0.5
99.04436	0.3
107.88354	0.2
112.08717	3.6
113.07149	0.7
114.10284	0.7
115.08689	4.1
116.07077	7.4
120.08137	0.3
121.10138	0.3
121.75088	0.3
128.10709	16.6
128.11760	0.9
128.50824	0.2
129.10268	0.3
130.09741	2.4
131.11807	0.3
133.09756	1.1
149.05939	0.5
156.10155	1.6
156.11301	8.8
157.10851	0.6
158.09244	7.4
159.07547	0.3
175.11893	18.0
177.05499	0.8
183.14981	0.3
195.06493	1.7
199.18002	0.3
226.15517	0.7
229.15457	1.3
234.98993	0.4
251.17633	0.4
253.16626	0.7
263.16406	0.5
269.18652	0.7
271.17627	7.3
275.23547	0.3
281.07855	0.3
288.20285	1.0
365.47269	0.2
401.27811	0.4
425.12173	0.4
425.28760	0.7
443.13391	2.0
443.29736	96.6
444.30176	4.0
445.11594	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1179
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.6
54.34404	1.1
55.01840	1.1
60.05627	2.0
68.99762	2.3
69.03410	4.6
70.06585	7.0
70.80936	3.6
72.08135	1.2
75.82006	1.1
81.03404	6.0
84.08144	2.5
85.02893	8.8
86.09689	15.4
87.00806	3.4
97.02882	8.7
99.04433	1.5
102.03741	1.1
105.01855	3.0
107.04962	1.2
109.02837	5.2
116.07062	1.6
121.06522	2.7
123.04409	3.1
125.05934	1.9
127.03881	9.0
128.10693	3.4
145.04933	4.7
149.05959	17.9
149.07361	4.8
154.03833	1.1
156.11319	2.8
159.02888	5.2
167.07031	6.5
175.11861	2.4
177.05446	33.8
179.03435	1.9
195.06502	100.0
196.06941	2.6
219.06541	2.5
231.09033	1.3
237.07515	3.3
303.08862	1.8
376.61902	1.2
443.29709	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	443.1178
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79808	0.2
53.03934	1.2
55.01844	1.1
57.03400	1.0
61.02893	0.7
68.99778	1.5
69.03077	0.3
69.03415	4.6
70.06572	0.3
70.63255	0.7
70.63615	0.3
71.04968	0.6
72.08139	0.4
73.02888	0.9
79.05476	0.4
81.03400	4.2
81.07055	1.3
85.02887	10.2
86.09655	0.7
87.00811	3.9
91.03928	0.4
93.07014	0.5
96.52265	0.3
96.75068	0.2
97.02874	2.7
99.04426	2.0
103.05422	0.7
105.01842	3.3
107.04965	1.2
109.02858	5.0
117.01799	0.6
120.08073	0.5
121.06490	2.2
121.08368	0.3
123.03552	0.5
123.04408	6.8
125.05970	2.9
127.03893	9.5
129.01797	0.5
131.04950	0.4
135.04419	0.3
145.04936	4.0
147.02818	0.6
149.05948	20.3
150.06264	0.6
151.07527	1.5
159.02852	3.8
167.07010	7.9
177.05431	35.4
178.05725	0.7
189.03943	0.3
195.06490	100.0
196.06868	1.8
203.06949	0.4
213.03835	0.3
215.52353	0.2
219.06487	0.4
231.04794	1.8
237.07602	0.6
443.12524	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3203
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	1.7
55.01854	1.3
55.05496	8.2
56.05575	1.4
57.03431	1.9
57.07056	4.7
67.05491	10.5
69.03410	1.6
69.07056	13.0
70.06566	1.1
71.00783	1.3
71.04974	1.5
71.08608	5.6
71.57293	1.4
71.57658	1.8
79.05492	6.0
81.07042	18.6
83.04935	1.8
83.08589	5.6
84.23172	1.3
84.29905	1.3
85.06501	1.1
91.05451	5.4
93.07020	8.8
95.08585	13.9
97.06496	3.2
97.10146	3.1
99.08064	7.9
105.06982	6.5
107.08594	12.4
109.06503	6.4
109.10125	7.7
111.08065	2.1
119.08553	7.4
121.10120	8.6
123.08034	21.6
123.11724	2.5
125.05978	2.3
131.08539	2.5
133.10095	7.1
135.08006	5.7
135.11662	4.6
137.09543	1.4
137.13280	2.7
143.08444	1.5
145.10117	3.3
147.11620	1.6
149.09561	2.6
149.13216	2.9
153.12730	3.9
159.11674	2.9
161.13220	3.2
163.11136	1.3
173.13261	1.6
175.14816	1.7
177.12650	2.2
179.14262	31.0
189.13019	1.1
191.14275	3.1
209.34592	1.3
244.67435	1.3
251.20038	8.5
269.12378	1.9
275.19952	2.4
293.21024	8.1
293.28305	3.0
303.26749	9.7
321.27710	2.4
327.22833	1.3
331.26248	36.6
341.66516	1.1
349.27304	40.4
350.27457	2.4
356.28217	1.2
405.29944	4.9
423.30963	100.0
424.31281	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	441.2627
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	2.5
57.03429	2.9
57.07057	0.8
57.40181	0.5
67.05496	5.0
69.07051	3.4
69.35621	3.6
69.36030	1.3
71.08587	0.7
79.05452	1.4
81.07044	6.4
83.01289	0.9
83.08569	1.7
91.05431	0.7
93.07015	0.9
95.08587	6.4
96.08873	0.5
105.06985	0.9
108.68256	0.5
109.10116	2.5
117.06953	0.6
119.08509	0.6
127.98043	0.5
129.06935	0.7
130.62823	0.5
145.06416	1.2
157.06392	0.6
159.07967	1.3
160.07506	0.5
161.05945	2.7
174.03050	1.3
175.07486	0.6
185.05888	0.7
186.06702	0.6
187.03864	1.0
187.07510	1.1
189.05421	4.2
201.05399	0.7
203.03371	2.4
203.06992	2.2
205.04898	5.0
207.06480	1.7
213.05353	1.7
215.07008	1.1
216.04134	77.5
217.04578	3.0
218.05739	0.7
219.06476	12.4
229.04901	3.1
230.05638	0.6
231.06477	100.0
232.06778	1.7
242.05748	1.8
243.06430	2.1
245.08040	0.9
247.05949	2.4
255.06519	4.0
257.07956	2.6
259.09619	0.5
269.07889	0.7
396.22733	1.1
397.23755	0.7
409.23633	1.5
411.25162	3.6
413.26727	3.5
423.25131	3.1
441.26276	42.0
442.26721	1.9
461.79404	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2628
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11487	1.2
55.05504	9.6
57.07072	8.0
64.63498	1.2
67.05494	10.2
69.07064	11.1
70.11179	1.2
71.08615	4.3
71.63683	1.5
79.05467	1.7
81.07043	15.3
83.08613	5.7
85.10180	2.6
89.31606	1.4
91.05474	2.2
93.07049	1.5
95.08587	12.7
97.10150	3.4
107.08583	1.7
109.10141	5.6
111.11594	2.0
119.10371	1.4
121.10118	1.7
123.11689	1.4
128.06203	3.2
129.06960	3.0
141.06989	4.9
142.07710	1.7
143.08528	3.0
153.06880	1.3
155.08528	3.5
157.06470	2.5
159.07983	1.5
161.05954	8.7
167.08527	2.6
169.06454	6.0
171.04402	2.5
171.08038	14.4
172.05223	2.0
173.05876	1.8
175.03915	1.5
175.07448	1.7
181.06450	13.0
182.07217	5.0
183.04454	2.9
184.05138	13.1
185.05934	8.6
185.09567	2.6
186.03075	4.5
186.06668	2.3
187.07506	6.4
193.06487	1.2
194.75430	1.3
195.08006	3.7
196.05231	1.3
197.05891	6.2
197.09436	1.4
198.06708	13.2
199.03867	13.6
199.07504	16.1
200.04630	8.8
201.05420	17.5
201.09073	2.5
203.03352	4.5
203.07065	1.8
205.04922	3.5
205.06552	1.9
208.05132	1.7
209.05933	10.0
210.03151	1.2
210.06706	3.7
211.07533	8.0
212.04657	30.0
212.08264	3.8
213.05443	22.1
213.09003	13.3
213.74905	1.2
214.06184	15.7
215.06981	17.9
216.04112	10.0
217.04997	5.8
221.05939	5.0
222.06703	3.3
223.07596	6.2
224.04715	1.4
224.08289	2.2
225.05443	7.6
225.09123	4.9
226.06216	14.0
227.06979	77.5
227.10611	3.5
228.07687	9.7
229.04935	6.5
229.08600	6.3
231.06450	10.5
236.04459	1.4
236.08318	2.4
237.05402	4.9
237.09012	5.3
238.06104	3.1
239.06949	6.7
239.10730	3.3
240.07773	3.1
241.08551	30.5
242.09277	2.1
243.06514	2.9
243.10046	2.1
249.22058	1.4
250.06044	1.8
251.07069	2.8
251.10641	3.7
253.04953	1.6
253.06026	1.6
253.08543	13.8
253.12206	2.0
254.05643	3.9
255.06528	4.4
255.10133	5.5
257.08032	1.5
265.08496	3.7
267.10110	3.0
268.07239	2.0
269.08032	52.5
271.09842	1.7
279.10312	1.9
281.11758	3.8
283.09512	3.8
293.11777	1.7
363.23022	2.0
367.26080	1.4
377.25049	2.6
379.22409	6.1
380.23102	2.5
381.24152	43.2
382.24152	2.2
387.23276	1.9
395.25742	53.5
396.26157	2.6
397.27469	3.7
399.25244	3.9
400.98129	1.4
405.24136	22.2
423.25220	100.0
424.25540	4.9
441.29523	1.5
451.20212	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2629
Annotation	Scopadulin
Peak:m/z	Relative Intensity
53.03913	1.6
54.64111	1.0
55.05511	8.4
57.07073	5.9
67.05499	5.7
69.07057	11.5
69.47220	3.1
69.47625	6.8
71.08607	3.7
79.05483	1.5
81.07052	16.7
83.08597	4.9
91.05473	3.3
93.07055	1.3
95.08596	10.6
96.37022	1.2
97.10133	2.0
105.07000	4.1
106.01539	1.2
107.55785	1.1
109.10128	2.2
123.11698	2.3
128.06181	2.0
129.07001	2.5
131.04919	2.7
133.06491	1.5
141.07077	2.1
142.07718	1.7
143.08476	2.1
145.02884	1.6
153.06987	2.0
155.08580	2.4
157.06413	1.3
159.08020	1.5
161.02333	2.2
161.05980	12.5
167.08534	1.5
169.06479	2.6
170.07231	1.5
171.07948	5.8
172.05130	3.5
172.50528	1.3
173.02324	9.7
173.05908	2.1
175.03871	4.1
178.02591	1.4
178.07611	1.4
179.08533	1.7
181.06517	3.2
182.07321	2.8
182.95357	1.2
183.04358	1.5
183.07993	2.3
184.05162	3.2
185.05997	6.5
185.09610	2.9
186.03151	1.5
186.06706	4.9
187.03827	2.4
187.06104	1.3
187.07516	7.1
187.11168	1.9
190.02654	3.0
191.03404	1.7
195.08026	4.0
197.05968	3.8
198.06738	10.9
199.03926	2.2
199.07523	14.8
200.04669	2.9
200.08261	2.0
201.05476	9.8
201.09090	4.8
203.03374	100.0
204.03714	3.2
205.04935	24.7
205.06677	2.4
209.05949	2.7
210.06744	5.5
211.07512	6.8
212.04648	2.6
212.08311	4.3
213.05482	19.7
213.09015	14.7
214.06219	4.4
215.06998	12.5
215.10550	2.3
216.04149	19.1
217.04868	7.3
217.08365	1.4
221.05962	2.4
222.06783	3.2
223.07538	5.3
224.08362	2.9
225.05505	2.7
225.09085	10.7
226.06232	9.5
227.07008	16.3
227.10616	4.7
228.07759	5.8
229.04912	5.4
229.08617	7.1
231.06491	59.1
232.06851	1.8
237.05418	1.9
237.09052	5.4
238.06317	2.3
239.06905	5.9
239.10646	2.9
240.07784	1.7
241.08580	22.6
243.06522	5.3
245.08057	2.7
249.84404	1.3
250.06300	3.6
250.09583	1.4
251.07053	2.4
251.10706	1.7
252.07785	1.5
253.08618	7.6
255.06583	2.2
255.10170	3.2
265.08612	8.2
265.11304	1.4
268.07172	1.4
269.08148	7.3
279.10196	3.3
283.09717	2.1
294.93945	1.4
324.71078	1.2
325.21359	1.6
348.77991	1.5
354.25369	2.5
369.27747	2.5
377.24658	2.6
379.26172	3.8
395.25781	25.2
396.26151	1.5
397.23569	8.6
405.24139	11.0
413.26691	5.9
423.25232	54.8
424.25687	2.1
441.26279	40.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2629
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90461	1.8
53.05177	1.9
55.05508	10.8
57.07070	9.3
67.05492	13.0
69.07058	13.6
70.55347	5.3
71.08598	3.2
79.05460	3.8
80.17444	1.6
81.07037	15.3
83.08588	5.4
93.07035	4.3
95.08587	18.1
97.10171	4.4
105.07022	2.0
109.10126	5.6
112.23147	1.6
123.11723	1.9
128.06216	4.9
129.06934	2.4
131.04947	1.8
141.06976	4.7
142.07791	1.8
143.08495	4.2
153.07013	1.9
155.08484	2.5
157.06487	4.4
161.05963	13.5
165.06931	1.9
168.05693	1.9
169.06465	3.1
171.04347	2.9
171.07996	12.8
172.05074	3.1
173.05898	2.1
175.03909	2.1
175.07443	3.0
181.06435	9.2
182.07182	2.3
183.04419	2.2
184.05162	13.7
185.05948	8.4
185.09570	4.1
186.06653	2.8
187.07498	7.8
195.07961	3.4
197.05968	4.7
198.06741	13.1
199.03819	11.9
199.07504	16.3
200.04608	8.3
201.05415	18.7
201.09079	2.4
202.02646	2.0
203.03320	9.6
205.04932	6.4
209.05969	11.0
211.03917	2.7
211.07491	6.8
212.04660	30.2
212.08205	3.3
213.05469	16.7
213.09070	13.5
214.06270	10.3
215.06972	25.9
216.04150	39.9
217.04901	10.4
221.05878	2.5
222.06703	2.3
223.07532	5.9
225.05392	7.5
225.09061	6.6
225.69864	1.6
226.06177	11.0
227.06992	59.3
227.10490	3.9
228.07697	8.3
229.04890	10.9
229.08598	7.7
231.06496	45.2
236.04692	2.1
237.05453	3.5
237.09055	5.3
238.06102	2.5
239.06995	5.9
241.08588	29.2
243.06392	4.1
250.06099	2.9
251.06898	5.5
251.10628	1.9
253.04868	2.3
253.08571	11.8
253.12158	2.4
254.05746	7.3
255.06670	4.1
255.10049	7.5
257.08148	2.3
265.08646	10.0
267.10104	3.9
269.08047	42.6
271.09604	2.3
281.11652	3.9
283.09521	2.7
293.11771	3.1
307.13037	2.3
377.24570	2.5
379.22382	3.3
381.24194	24.0
395.25769	40.0
397.27066	3.5
399.25311	4.0
405.24097	17.6
423.25250	100.0
424.25644	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	441.2631
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	12.5
57.07072	8.8
67.05491	10.7
69.07065	13.5
69.64507	3.8
69.64935	8.0
71.08623	3.9
73.32682	1.4
79.05458	1.7
81.07057	12.0
83.08595	5.8
85.10168	2.4
93.07034	2.6
95.08598	14.2
97.06485	1.7
97.10157	3.2
99.13345	1.4
109.06490	2.0
109.10181	4.5
121.64442	1.4
128.06154	3.7
129.06979	4.9
131.04950	1.6
131.08658	1.4
141.06941	3.5
143.08542	3.4
153.06926	1.6
155.04910	1.8
155.08556	3.3
157.06496	2.3
161.02316	1.6
161.05978	9.3
167.08556	2.6
169.06378	3.0
171.04349	4.3
171.07997	13.5
173.05989	1.9
175.03902	3.8
175.07559	4.6
179.08513	2.0
181.06453	11.4
182.07288	3.8
183.04381	3.1
183.08076	2.1
183.97710	1.6
184.05084	9.8
185.05975	6.4
185.09579	3.1
186.03043	3.1
186.06708	2.7
187.07527	6.7
195.08076	4.3
197.05980	5.7
198.06697	12.1
199.03905	10.9
199.05872	2.4
199.07501	16.7
200.04720	9.7
201.05449	19.0
201.08972	2.2
203.03365	16.4
205.04941	5.8
207.08192	2.2
209.05949	11.9
210.06750	6.4
211.07501	5.0
212.04668	29.5
212.08195	3.6
213.05455	24.2
213.08997	12.6
214.06174	12.5
215.06975	20.1
215.10513	1.9
216.04153	10.1
217.04948	6.0
219.06456	2.8
221.05997	6.5
222.06790	2.9
223.07561	6.3
225.05490	8.6
225.09134	5.6
226.06219	14.5
227.06998	69.9
227.10635	3.5
228.07724	10.1
229.04922	8.1
229.08556	6.7
231.06461	12.9
235.07416	1.9
237.05484	4.1
237.09138	4.7
238.06253	5.6
239.06985	6.9
239.10626	3.4
240.07823	5.3
241.05003	1.8
241.08551	35.4
243.06372	3.2
243.10266	2.5
250.06108	1.6
251.07037	2.1
251.10687	3.2
253.08551	10.4
253.12329	2.0
254.05699	4.3
255.06485	4.3
255.10172	5.4
257.08081	2.1
265.08582	4.2
267.06500	3.1
267.10080	2.9
269.08038	54.6
271.09811	2.7
279.10150	2.2
281.11749	4.3
283.09738	3.9
349.21509	3.3
353.24875	2.5
365.20917	2.2
367.26358	2.1
377.24698	3.1
379.22531	6.2
380.23297	5.3
381.24231	35.4
395.25763	58.6
396.26102	2.6
397.27335	3.5
399.24976	2.4
405.24197	14.3
423.25238	100.0
424.25613	2.7
441.26117	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	441.2627
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	5.2
57.03416	0.6
57.07067	4.3
62.88609	0.5
63.89287	0.4
67.05486	5.5
69.03428	0.7
69.07056	5.5
69.24578	1.8
69.25002	4.2
71.08617	2.1
76.30667	0.4
79.05489	2.7
80.63319	0.4
81.07040	8.8
83.08601	3.6
85.10194	0.9
87.04443	0.7
91.05470	3.6
93.07027	1.8
95.04926	0.8
95.08588	6.9
97.10152	2.1
103.05548	0.5
105.07011	3.6
107.08613	0.8
109.10150	2.2
111.11674	0.6
112.80505	0.4
115.05450	0.7
119.04901	0.7
121.06491	0.5
121.10094	1.0
123.11644	1.0
126.52709	0.5
128.06198	1.6
129.06952	1.2
131.04924	1.0
133.06470	1.0
141.06989	1.0
142.50670	0.5
143.08569	1.2
145.02826	1.6
145.06433	0.8
149.05936	1.0
153.06914	0.6
155.08502	1.5
157.06506	0.7
159.04378	1.2
159.08040	0.9
161.02328	2.4
161.05978	6.5
165.06969	0.9
166.07726	0.6
167.08577	1.0
168.05627	0.6
169.06493	1.0
170.07277	0.6
171.04317	0.8
171.08037	1.6
172.05164	1.4
173.02324	3.9
173.05893	0.8
173.09441	0.7
174.03128	1.3
175.03865	4.5
178.07719	0.9
179.08554	1.2
181.06444	1.4
182.07210	1.5
183.04369	0.6
183.07990	0.8
184.05173	2.3
185.05995	3.0
185.09561	2.0
186.03053	1.1
186.06747	1.9
187.03870	1.3
187.07431	2.7
188.00993	0.5
188.04721	0.6
190.02484	2.6
191.03427	0.9
193.06494	0.9
193.10072	0.9
194.07191	0.6
195.08043	1.6
196.05153	0.7
196.08664	0.5
197.05933	2.6
198.03105	2.2
198.06706	5.4
199.03767	0.6
199.07507	7.6
200.04665	2.3
200.08212	1.1
201.05424	6.5
201.09164	3.2
203.03346	52.0
204.03685	0.8
205.04909	20.7
206.05455	0.6
207.07990	1.5
207.17448	0.6
208.05203	0.8
208.08798	0.5
209.05942	1.4
209.09520	1.0
210.06697	1.9
211.07486	5.6
212.04701	1.1
212.08229	2.7
213.05450	14.6
213.09032	8.5
214.06102	1.5
215.06987	8.5
215.10588	1.3
216.04129	41.6
217.04875	5.0
219.08076	1.1
221.05975	1.2
222.06674	2.3
223.07541	3.4
224.08281	2.6
225.05424	1.0
225.09016	4.0
226.06200	4.9
227.06967	6.5
227.10439	2.6
228.07758	3.0
229.04939	4.5
229.08521	3.3
231.06470	100.0
232.06873	2.7
234.06766	0.6
235.07501	2.0
236.04597	0.8
236.08286	1.6
237.09036	4.2
237.21898	0.6
238.06175	1.1
239.06924	3.1
239.10587	1.7
240.07742	2.1
241.08533	10.3
242.09157	0.9
243.06454	2.3
243.10115	0.9
245.07930	0.8
248.08289	0.5
249.05530	0.9
249.09035	1.2
250.06145	2.9
251.06909	2.3
251.10612	1.5
252.07664	0.8
253.04774	0.7
253.08516	3.2
254.05634	1.3
255.06473	0.8
255.10167	2.0
257.07996	0.8
259.09668	1.4
264.07510	0.9
265.08566	5.8
265.12155	0.6
267.06473	5.8
267.09705	1.0
268.07175	1.3
269.08066	4.3
279.10065	1.6
283.09445	1.3
316.26849	0.5
353.24615	1.6
354.25217	0.7
367.26169	1.1
369.27689	0.9
377.24655	1.5
379.26227	1.7
381.24155	1.0
382.24695	0.5
395.25739	11.7
397.27518	1.0
405.24115	4.5
413.26566	1.7
423.25204	52.8
424.25641	3.0
441.26138	19.7
442.26639	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.175
Annotation	[3aR-(3aR*,5E,7R*,9Z,11aR*)]-2,3,3a,4,7,8,11,11a-Octahydro-7-hydroxy-6-methyl-3-methylene-2-oxo-, beta-D-glucopyranosyl ester cyclodeca[b]furan-10-carboxylic acid
Peak:m/z	Relative Intensity
59.04967	0.8
63.02962	0.5
67.05438	1.4
69.03432	3.0
69.07056	4.5
69.73939	2.0
69.74355	1.3
70.06535	2.2
71.04934	1.5
79.05449	1.1
81.03335	1.6
81.06982	1.8
81.66888	0.5
84.08137	2.4
85.02879	3.4
85.06497	0.7
86.09632	1.5
87.04408	0.6
91.05434	1.3
93.06992	0.9
95.04946	0.5
95.08553	0.5
97.02874	3.0
99.04401	0.8
105.06987	1.3
107.04870	0.8
109.02804	1.4
111.11650	1.2
117.06962	1.0
119.08528	0.6
120.08033	0.8
127.03843	2.3
129.06894	0.7
129.10204	0.9
129.12721	3.3
130.37085	0.5
131.04803	0.5
131.54584	0.6
135.04312	0.6
141.06882	0.7
143.05589	0.6
145.04874	0.6
145.05281	0.6
145.06454	6.7
147.04401	2.8
147.08052	2.8
147.11685	0.6
147.13715	0.7
148.05145	0.5
149.05882	0.8
155.14325	0.5
161.05956	5.6
161.09555	0.6
163.03833	1.4
163.07510	0.8
169.10077	1.2
171.08009	0.5
173.04587	0.9
173.05957	10.4
175.07494	2.0
175.11055	0.6
179.08534	0.8
182.07303	0.5
187.11096	0.6
189.05440	17.6
189.09044	2.0
190.05789	0.8
191.06998	8.4
193.04878	1.4
193.12216	1.2
197.09576	2.7
199.07494	1.6
200.08380	0.5
201.05450	20.6
203.06984	1.7
205.04950	1.3
207.06500	51.4
208.06799	1.2
211.13229	1.1
213.03816	1.0
215.10678	8.7
217.08623	2.5
217.12129	2.6
219.06494	42.9
220.06828	1.1
221.08119	1.5
225.09064	6.3
228.07701	1.8
233.11644	1.7
235.06010	2.5
238.57816	0.6
243.10129	31.8
244.10466	1.5
245.08072	0.7
256.75546	0.5
259.06015	0.5
261.11179	96.4
262.11560	3.7
279.12231	100.0
280.12552	3.4
301.07101	1.2
344.11908	0.6
365.01093	0.5
441.17453	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	441.102
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03913	0.4
55.01851	0.8
55.05482	0.3
56.05017	0.5
57.03407	0.8
60.04496	0.4
61.02913	0.6
66.92142	0.3
67.01846	0.4
67.05471	1.1
68.04961	0.3
68.99781	1.5
69.03422	1.5
69.07056	0.7
70.06583	6.1
71.04971	0.8
71.62589	0.3
71.62955	0.3
72.08115	1.4
72.08462	0.3
73.02856	0.9
79.01837	1.0
79.05453	0.9
81.03419	1.7
81.07039	0.7
84.04472	0.7
84.08130	3.2
85.02891	4.4
85.06514	0.9
86.09685	1.9
87.00790	1.2
91.05448	1.3
93.03458	0.3
93.07034	0.9
97.02855	1.1
98.97571	0.4
99.04440	0.8
100.02141	0.3
103.03929	2.1
105.01858	0.8
105.06979	1.0
107.04909	1.0
107.08571	0.6
109.02867	1.5
109.10130	0.6
115.07573	0.4
119.08589	0.7
120.08052	0.5
121.06494	0.3
121.10111	0.6
123.04388	1.1
125.05968	0.5
127.03886	1.4
127.08573	0.3
129.01791	0.9
129.10196	1.2
131.04968	0.5
133.10085	0.4
135.04381	0.3
135.11678	0.3
136.07516	1.2
137.05989	0.4
139.11119	0.5
145.02832	0.6
145.04965	0.4
147.02895	0.6
147.04349	0.6
147.11646	1.5
149.05952	1.7
151.03857	0.3
153.01799	0.4
161.05937	0.9
163.03833	0.8
165.01816	1.5
165.05484	3.7
171.02901	0.4
175.07536	0.8
177.01848	0.5
177.05470	3.2
178.06213	3.1
179.03401	0.4
181.04906	1.6
183.02849	0.7
187.03781	0.6
189.03896	0.7
189.05447	4.0
191.03311	0.3
191.07137	0.3
192.04112	1.2
193.04962	7.1
193.08582	0.7
193.12193	0.8
197.01300	0.4
199.07585	0.3
199.13242	2.0
200.13634	2.3
201.05484	0.4
203.06967	1.4
205.04935	55.5
206.05711	23.7
207.02916	0.4
207.06454	3.9
211.05977	0.8
211.13220	1.1
213.03818	0.5
213.12453	0.3
216.04024	0.4
217.04932	33.5
218.05421	0.9
219.06503	9.7
221.04402	0.7
227.06987	0.8
229.04927	3.3
230.05698	2.9
231.04395	0.4
231.06493	5.6
233.04445	4.5
235.05977	100.0
236.06311	2.7
237.02501	1.2
241.04980	0.9
243.06577	0.7
245.04425	1.6
245.08073	5.9
246.05246	0.4
246.08253	0.3
247.06003	3.9
249.07570	1.1
255.06520	2.6
257.04443	0.5
259.05994	17.7
260.06427	0.6
261.03931	1.0
261.11053	1.5
265.07089	1.9
271.05911	0.8
273.07474	2.6
277.07028	1.2
279.12271	2.1
283.05960	3.9
285.07562	0.7
288.97354	0.4
289.07010	1.1
301.07056	9.7
301.10818	0.5
318.13986	0.4
319.08115	3.3
337.09189	1.3
342.13000	0.5
343.08005	0.4
355.10175	1.5
360.94760	0.4
361.09186	4.6
379.10245	2.3
381.07938	0.7
387.06976	0.6
397.11288	1.9
405.08087	6.6
406.08179	0.5
423.09079	11.0
423.14029	1.0
441.10260	21.4
441.16736	1.1
441.34067	0.4
442.10678	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.3576
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	2.6
57.07070	28.3
63.87053	0.9
67.05490	3.6
67.52943	0.9
69.03429	1.3
69.07055	2.2
69.71780	1.7
69.72180	5.8
71.08624	25.2
73.06544	4.7
76.89209	0.8
78.93243	0.8
79.05484	1.4
81.07038	3.7
83.08620	5.4
85.02900	1.4
85.10175	25.4
87.04459	3.5
89.06019	100.0
90.06358	1.1
91.05470	1.8
93.07034	2.9
95.08571	2.5
97.10143	1.4
99.11728	2.8
105.07010	1.4
107.07066	3.3
107.08595	2.6
109.10101	1.1
117.06940	0.9
117.09106	3.1
117.74486	1.0
119.08600	1.6
121.10131	1.4
123.11726	0.9
130.08638	3.1
133.08585	44.4
135.11696	1.6
141.16315	5.2
145.03604	1.0
150.39320	1.0
177.11201	18.5
185.19019	4.4
186.07603	1.0
195.12222	2.4
221.13812	3.2
226.21645	1.1
229.21602	14.7
239.14938	2.8
261.22034	1.8
273.24295	4.8
283.17487	21.3
292.93411	0.8
335.27878	1.2
358.86673	0.9
369.24301	1.1
379.30542	2.3
405.26276	2.0
423.33099	35.4
424.33542	3.1
440.27744	1.4
440.36246	3.3
441.27805	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	441.1019
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03902	0.8
55.01870	0.7
56.05007	0.5
57.03420	0.8
61.02908	1.8
62.83339	0.5
67.01835	0.7
67.05473	0.6
68.99770	2.2
69.03406	1.8
69.07053	1.3
70.06239	0.9
70.06585	11.1
71.61645	1.1
72.08136	2.0
74.06037	0.7
79.05466	0.8
81.03396	2.1
82.49479	0.5
84.04449	0.5
84.08151	2.8
84.08564	0.5
85.02892	7.2
86.09198	0.7
86.09695	7.9
87.00815	1.9
88.03960	0.9
88.75394	0.5
91.05455	1.7
93.07010	0.8
95.08565	0.8
97.02856	1.2
103.03904	2.0
103.85293	0.5
105.03375	0.6
105.06975	0.7
107.04931	1.1
109.02858	2.0
110.07170	1.0
116.07092	0.8
119.08548	1.0
120.08076	1.1
123.04421	1.7
125.07060	0.7
127.03885	1.9
129.01819	2.4
129.10243	1.1
135.04431	0.7
135.06805	0.6
135.07828	0.6
136.07518	1.1
144.80685	0.5
145.04924	1.2
147.02895	1.5
147.04362	1.0
147.08086	0.9
149.05988	0.9
151.03876	1.7
153.01811	0.8
161.05951	1.8
163.03801	1.2
165.01802	1.1
165.05469	2.6
167.03445	1.4
177.01813	3.9
177.05431	2.3
178.06207	2.2
179.03333	2.7
181.04939	1.2
183.02904	0.9
185.09172	2.0
187.03876	1.3
187.07462	0.7
189.03955	0.6
189.05418	10.6
191.03342	2.2
192.04195	1.4
193.04936	7.8
193.12234	0.7
195.02875	1.2
199.13300	0.8
200.13379	0.7
201.05444	0.8
203.07004	5.3
205.04938	56.9
206.05707	17.8
207.06462	1.9
211.13226	0.7
213.05444	1.2
213.08685	1.4
215.03462	0.6
217.04933	32.8
217.08531	2.1
218.05269	1.0
219.02991	4.6
219.06439	8.3
227.07042	3.4
229.04955	3.4
229.15483	1.9
230.05702	3.7
231.02948	0.8
231.06493	14.8
233.04436	3.8
235.05975	100.0
236.06285	2.3
241.05003	0.7
241.09604	0.6
245.04355	1.3
245.05533	0.6
245.08061	10.0
247.05992	2.7
253.00110	0.6
255.06432	6.8
257.04318	0.9
259.05991	32.7
260.06393	1.3
260.09137	1.9
261.03888	3.6
261.09470	5.3
265.07086	1.3
271.04535	1.0
273.07538	3.3
277.07010	2.0
279.12625	0.6
283.05978	8.1
289.06934	1.3
301.07010	27.9
302.07339	1.3
319.07983	5.5
326.16962	1.7
337.08984	2.2
343.08057	0.8
355.10010	1.1
361.09146	3.0
379.10031	2.1
387.06952	2.0
397.11221	1.0
405.08127	11.7
423.09204	10.2
423.14331	2.5
441.10193	13.5
441.17154	2.4
441.22842	0.8
442.10425	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.3002
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01850	3.5
55.05492	5.2
55.37414	0.8
57.03408	1.5
57.07093	1.1
60.04516	1.2
62.06074	1.6
67.05494	9.5
69.03418	1.7
69.07060	13.1
69.86195	5.6
70.06584	3.8
71.04958	0.9
72.08140	1.8
73.02898	1.3
79.05485	5.4
81.03426	1.9
81.07050	13.9
82.06559	1.0
83.04978	2.6
83.08605	1.0
84.04487	1.7
84.08125	4.0
85.02898	2.8
85.05295	0.9
85.06525	3.1
86.06053	22.2
86.09688	2.6
91.05470	9.3
93.07026	5.4
94.06532	1.5
95.04936	3.2
95.08586	5.3
96.08118	8.7
97.02883	2.8
97.06521	7.4
97.10178	1.0
98.06036	11.3
98.09669	4.0
99.04429	6.8
99.08092	1.2
100.07661	1.0
100.11228	1.3
105.07007	7.1
107.04949	1.2
107.08597	5.6
108.08109	5.6
109.02887	2.1
109.06503	3.8
109.10130	3.8
110.09681	2.2
111.08087	1.1
112.07531	1.3
113.05994	1.1
114.09160	1.0
116.10715	17.6
117.07047	1.0
119.08554	7.0
120.08056	1.1
121.06513	0.9
121.08842	1.1
121.10125	3.4
122.09655	2.4
123.07993	1.1
123.11678	1.7
124.07571	5.6
126.09081	1.3
127.03928	2.0
129.06952	2.8
131.08565	2.7
133.10127	6.3
134.09637	1.2
135.11633	1.3
136.11156	0.9
138.09131	4.6
141.09157	1.2
142.08623	16.0
145.10097	1.9
147.11664	8.7
149.09616	2.4
151.11169	2.9
152.10718	4.0
154.12276	2.1
157.10083	4.2
162.12762	1.1
165.12755	1.6
166.08598	1.2
169.12216	6.9
170.11873	1.0
174.12747	4.0
175.11143	5.4
177.00729	1.1
192.13789	4.8
193.12225	3.5
193.82512	0.9
194.15370	4.5
208.16982	2.4
210.14879	1.4
212.16425	84.5
213.16667	2.1
228.15936	1.4
229.14294	1.2
230.17482	17.8
230.19530	1.5
236.16417	32.2
243.14844	5.0
254.17480	56.9
255.11188	2.4
255.17950	1.5
269.12531	1.0
271.14368	7.4
271.27051	0.9
272.18518	71.6
273.18924	2.0
315.13361	10.4
316.13968	1.1
326.23257	3.9
379.24554	1.7
387.92307	0.9
404.28094	1.3
406.15262	1.0
422.20590	2.1
422.28949	12.1
437.18030	1.1
440.30042	100.0
441.30344	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	440.2768
Annotation	1-Dodecanoyl-sn-glycero-3-phosphocholine
Peak:m/z	Relative Intensity
55.05494	0.5
56.05003	0.6
57.03421	0.8
57.07067	4.2
58.06590	1.1
59.98170	0.4
60.08153	14.2
62.79029	0.5
63.28476	0.4
64.08542	0.4
67.05481	1.4
71.07365	4.5
71.08619	1.9
71.62832	0.6
81.07045	1.5
83.08627	0.8
85.10171	1.1
86.09692	43.8
87.10026	0.7
95.08588	2.2
98.98454	2.9
104.10728	100.0
105.07020	0.5
105.11059	1.1
109.10128	1.7
111.72592	0.5
124.99984	23.2
163.01457	0.6
177.29282	0.4
184.07314	93.0
185.07605	1.0
257.21091	3.7
258.10986	0.9
278.21408	0.5
300.55289	0.5
363.19666	0.5
368.94019	0.5
379.85632	0.4
394.28436	0.5
422.26611	10.0
440.27655	40.7
441.28033	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.3
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.7
55.05498	4.7
55.65416	1.0
56.05022	1.1
57.07062	1.9
62.06079	1.6
67.05491	7.9
67.97559	1.0
69.03416	1.6
69.07063	10.5
70.06581	6.4
71.04971	1.8
71.57444	1.1
71.57849	1.6
72.08121	1.5
74.09700	2.5
79.05479	5.6
81.03402	2.8
81.07045	12.6
83.04960	1.0
83.08617	3.4
84.04489	1.2
84.08127	3.8
85.02901	3.2
85.06535	4.5
86.06049	14.4
86.09714	1.2
91.05458	6.0
93.07019	4.3
93.38622	1.1
95.04966	1.2
95.08585	6.4
96.07578	1.5
96.08110	7.3
97.06519	3.6
98.06042	6.7
98.09676	2.5
98.97575	2.8
99.04453	5.7
100.07603	1.8
100.11162	1.2
105.07021	6.7
107.08589	4.5
108.08100	2.6
109.06530	2.3
109.10159	2.3
110.09669	1.5
112.07589	1.7
113.06016	1.3
116.10707	7.1
116.98582	1.3
119.08609	5.1
120.08112	1.3
121.10145	3.6
122.09698	2.0
123.08068	1.5
123.11710	2.8
124.07586	4.1
127.03881	1.5
128.07062	2.7
129.06917	1.9
131.08492	1.7
133.10143	4.2
135.07986	1.1
136.07495	1.1
136.11247	1.3
137.09627	1.3
137.13278	1.1
137.64487	0.9
138.09114	2.3
142.08623	9.7
145.10120	1.1
146.99620	1.1
147.08046	1.0
147.11656	5.1
148.11234	2.4
150.09264	1.1
150.12758	1.1
150.96480	1.0
151.11166	2.0
152.10582	1.4
154.08612	4.2
154.12254	2.5
157.10129	2.9
159.11748	1.2
162.12796	1.7
164.14340	1.3
169.12149	5.2
174.12779	2.5
175.11197	3.8
192.13840	2.0
194.11685	1.1
194.15436	4.4
205.08633	2.4
208.16914	5.4
210.15062	2.1
210.18495	26.8
210.20407	1.5
212.16415	94.7
213.16818	2.4
221.15424	2.0
228.15970	3.9
236.16418	22.7
237.02953	1.3
247.06412	1.2
250.36958	1.1
254.17470	9.3
272.18515	100.0
273.18951	4.3
286.79105	1.0
299.19937	2.3
362.27176	1.3
368.08450	1.1
379.24658	2.1
380.27853	1.5
396.28967	1.8
404.27353	1.2
422.28909	3.2
440.30066	77.4
441.22461	1.1
441.24576	1.2
441.30432	5.9
454.43073	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.2766
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	2.7
57.03422	3.6
57.06815	1.5
57.07068	19.6
62.05776	1.7
62.06078	22.9
67.05502	5.1
69.07047	5.1
70.75983	2.4
71.08624	14.3
81.07056	8.1
83.08607	4.1
84.04506	1.3
85.10176	7.9
89.06019	1.2
95.08580	8.8
97.10174	1.2
98.98464	4.4
106.12898	1.1
109.10133	4.5
111.11681	1.0
123.11705	2.4
147.07774	1.0
155.01024	5.1
184.07509	1.5
198.05287	2.2
216.06291	4.1
225.22122	2.4
237.12140	0.9
268.23569	1.3
268.26291	9.5
299.25751	100.0
300.26056	2.1
304.47040	0.9
326.25079	1.4
337.82227	1.0
342.31427	1.3
379.22241	8.3
422.26486	7.2
422.35947	1.7
440.27426	2.5
440.37183	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	440.2486
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	4.8
55.01862	6.2
55.05496	10.6
57.03434	13.6
57.07061	6.6
61.02916	12.3
67.05492	5.5
69.03129	3.3
69.03426	36.6
69.07052	32.8
70.06590	12.2
70.21920	11.5
71.04985	5.0
72.08118	2.5
73.02908	42.9
79.05486	4.5
81.03404	16.9
81.07034	5.6
83.01303	2.4
83.04942	3.2
83.08606	23.3
84.08124	7.3
85.02890	100.0
86.09686	6.8
87.00826	17.3
91.03953	3.2
91.05464	7.4
93.07024	6.1
95.04978	3.3
95.08582	5.5
97.02876	43.6
97.06531	3.5
97.10158	6.7
99.04428	8.9
99.08079	5.1
103.03915	3.4
105.01842	29.1
105.07025	4.7
107.04929	6.1
107.08523	4.9
109.02866	20.1
109.06501	2.4
109.10141	3.5
110.07145	2.7
111.11710	10.4
114.09133	2.8
115.03903	10.9
117.13616	2.5
119.08587	5.9
120.08055	6.0
121.10093	2.8
127.03899	60.3
129.10339	3.1
133.04951	16.0
135.11656	2.4
145.04936	26.8
147.02783	2.8
157.04758	2.3
157.15814	15.9
160.03922	5.0
163.05975	9.6
166.37509	2.7
175.16920	7.7
177.05487	4.8
184.07320	6.2
191.10622	19.5
213.03969	3.2
219.01872	2.7
223.05925	4.0
231.04907	12.9
241.07057	7.0
249.05943	3.5
259.08026	6.2
261.11276	3.0
279.12241	2.5
295.10223	3.7
315.13196	7.2
336.01636	2.9
380.27664	3.8
440.24167	5.7
440.29865	13.1
440.35272	3.0
441.16681	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.1479
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99563	5.0
67.05471	1.1
69.07068	1.4
69.34077	3.1
69.34482	9.9
70.06568	3.8
72.08131	1.5
76.02229	6.7
79.05461	1.3
84.04499	1.7
84.08125	2.6
85.02887	2.2
86.09671	2.5
86.99019	3.2
100.02193	9.7
103.03934	1.4
108.76093	1.1
122.05994	2.2
125.05941	1.2
135.01567	1.2
136.07552	2.2
139.11208	1.5
146.02684	10.3
150.05431	1.2
152.01682	1.2
170.09550	1.7
175.08632	3.8
186.09047	2.9
188.03740	1.7
196.07550	3.8
198.09259	5.5
199.13261	5.6
200.07072	1.4
205.04889	2.2
207.06468	1.3
210.09183	1.3
212.09337	1.4
213.10263	9.3
214.08582	4.3
215.08128	1.4
215.11794	3.6
217.09691	4.3
218.08083	3.4
227.11772	2.4
235.05873	3.2
235.10748	6.6
239.08218	1.2
240.08878	4.0
241.09705	29.6
242.04694	1.1
242.08061	5.8
242.10321	2.2
243.09152	1.1
243.11348	13.9
244.09521	1.2
245.90811	1.2
249.94490	1.2
254.06276	2.0
254.10449	2.4
255.11206	5.3
258.12357	9.5
259.10724	22.3
260.09122	3.3
271.13016	1.7
273.12207	2.6
278.10229	3.1
283.10635	6.9
284.08969	2.2
285.12283	11.5
286.09555	2.5
299.08459	1.9
300.06766	1.6
300.10873	1.6
301.11795	26.9
302.10260	3.5
303.13373	4.1
317.10135	1.1
317.13690	19.7
318.12656	4.2
319.12836	4.4
362.11624	8.8
363.10095	3.8
365.02029	1.3
404.12720	16.1
405.11154	6.4
422.13757	100.0
423.12158	18.3
441.11145	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	440.2062
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05486	2.6
61.56153	2.0
67.05485	4.9
70.06576	2.4
71.62844	3.7
79.05487	2.7
79.22796	1.9
81.07041	3.4
84.08105	2.5
86.09743	2.2
89.84019	2.3
91.05447	5.2
93.07017	4.5
95.08591	5.2
97.20206	2.5
104.01540	2.3
105.07012	5.8
107.08588	3.2
119.08588	4.2
121.10109	3.2
128.06157	2.6
129.06996	3.2
130.14821	2.0
135.11621	2.3
137.96426	2.4
145.10081	3.3
152.56374	2.3
155.08636	2.7
157.71332	2.3
159.08012	4.3
163.11131	2.3
172.05090	2.4
173.09636	5.2
187.07513	22.0
191.10655	37.7
191.17969	2.9
200.04651	5.0
204.18163	2.7
215.06999	45.7
229.38315	2.1
233.08049	100.0
254.24777	2.4
423.17740	3.2
440.36240	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	440.2485
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03911	7.1
55.01861	11.8
55.05504	22.0
56.05015	7.5
57.03436	9.4
57.07069	8.7
67.05481	14.6
69.03410	52.1
69.07056	47.2
69.66145	5.8
70.06588	42.7
70.51595	27.0
71.04984	8.5
71.08617	10.7
72.08131	12.9
73.02898	27.9
79.05479	16.1
81.03392	35.8
81.07048	26.8
82.06563	12.3
83.04973	14.9
83.08592	34.6
84.04491	9.4
84.08130	22.8
85.02889	98.3
85.06528	9.9
86.06037	15.0
86.09691	30.4
87.00787	31.2
91.05457	25.6
93.07024	19.1
95.04959	6.7
95.08597	17.1
96.08123	10.0
97.02859	48.9
97.06503	15.5
97.10155	13.2
98.06021	9.1
98.09653	14.4
99.04447	19.7
100.07619	14.2
100.11231	28.0
105.01839	38.8
105.07024	10.8
109.02843	46.2
109.06470	12.4
109.10155	9.3
110.07133	11.4
111.04425	12.2
111.11704	7.7
115.03900	10.9
116.10708	11.2
119.08544	14.8
120.08125	30.7
121.10118	9.1
127.03901	87.1
129.06947	8.3
129.10246	7.9
133.10132	13.0
141.24692	8.2
142.08600	16.3
145.04935	38.3
151.11118	6.1
157.10036	9.6
157.15810	8.5
159.02855	11.7
159.11615	8.8
168.13750	11.8
170.15373	18.7
175.11208	7.2
175.16936	26.7
182.15405	20.7
184.07301	15.6
191.14145	6.9
191.24364	6.6
198.14984	9.7
199.65771	6.3
210.14877	25.4
212.16394	49.9
230.17558	15.3
231.04976	20.8
236.16341	13.9
254.17424	18.8
272.18512	30.7
315.13391	18.6
326.23438	8.1
337.21188	7.9
348.21393	7.7
380.27872	17.5
397.18045	12.2
424.31619	9.7
440.30133	100.0
441.16925	21.8
441.34296	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	440.2485
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01833	2.1
55.05486	9.1
57.03423	19.4
57.07055	1.9
59.04993	3.0
60.04504	3.3
61.02905	2.5
67.05482	8.3
69.03419	72.7
69.07056	65.4
70.06578	10.7
71.04985	3.3
71.14716	4.9
72.08115	3.1
75.04441	4.1
79.05470	4.0
81.03400	10.1
81.07046	10.9
83.04961	2.9
83.08607	3.7
84.08119	5.6
85.02888	73.9
85.06517	3.2
86.06035	3.1
86.09693	5.6
87.04455	51.1
89.06029	3.2
91.03915	2.6
91.05459	5.5
93.07024	3.1
95.08565	5.2
97.02877	73.3
97.03507	4.5
97.06560	4.1
99.04430	6.7
100.11256	5.0
105.07023	4.5
107.04945	5.4
107.08556	4.5
109.02872	4.6
109.06488	2.2
109.10116	6.6
111.04409	2.7
111.11706	34.8
115.03911	86.7
116.10715	3.0
119.04926	2.0
119.08550	5.0
121.10132	6.2
127.03898	16.7
133.04941	100.0
133.10126	15.2
134.10442	5.8
137.09584	6.7
145.04941	19.3
149.13245	2.7
150.07593	15.7
151.11183	2.6
151.20995	2.3
153.12755	3.1
163.06000	9.5
175.13284	5.0
177.12695	2.0
182.15334	3.3
187.06053	3.1
191.14243	3.2
192.14662	2.9
210.14819	3.9
212.16383	8.5
225.14925	2.5
228.16020	2.3
236.16260	2.5
241.06923	4.0
243.15897	7.2
253.71623	2.3
254.17471	3.9
259.08075	4.9
272.18530	5.7
277.09109	3.1
315.13226	10.6
368.29370	2.3
380.28015	3.6
422.29025	3.3
440.23898	3.7
440.29987	22.9
441.15820	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	439.3564
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	0.5
55.05499	9.3
56.54520	0.4
56.91345	0.4
57.07074	2.9
62.83007	0.4
65.03911	0.7
66.40707	0.4
67.05170	0.7
67.05493	10.1
69.07058	14.2
69.98448	2.5
71.08627	0.8
79.05482	7.1
81.07047	25.0
83.08604	7.4
84.08127	0.8
91.05463	8.3
93.07029	18.7
95.04939	0.6
95.08591	47.6
96.08904	0.8
97.10155	5.9
99.07996	0.5
105.07017	19.9
107.08575	34.4
109.06479	1.0
109.10141	32.1
111.08063	0.9
111.11687	1.0
117.06979	1.8
119.08566	39.5
121.10126	30.2
123.08010	0.6
123.10796	0.8
123.11684	14.3
125.05930	0.7
125.09655	0.8
129.06967	0.6
131.08546	3.0
133.10107	31.2
134.10429	0.6
135.11673	24.4
137.13228	6.5
139.07510	1.4
145.10088	5.6
145.72777	0.5
147.07982	0.6
147.11664	30.6
148.12099	0.5
149.09682	0.5
149.13235	17.9
151.07504	0.9
151.14830	1.0
153.09074	5.5
157.10130	0.9
159.11653	4.2
160.12379	1.0
161.09624	0.5
161.13235	17.0
161.14581	0.9
162.13533	0.5
163.14796	8.3
165.09077	1.2
167.10616	2.9
171.11665	0.9
173.13251	3.2
174.13930	0.7
175.11211	0.8
175.14806	9.9
177.16360	5.5
179.10623	1.5
179.17961	0.9
181.12177	0.5
185.13235	0.5
187.14813	4.1
188.15385	0.5
189.16353	44.8
190.16678	1.3
191.17918	72.1
192.18243	2.0
193.12221	1.0
193.19501	0.8
197.82726	0.4
199.14784	0.7
201.16350	13.1
202.16724	0.5
203.17924	100.0
204.18248	3.1
205.19492	21.3
207.13777	0.8
207.17413	2.1
213.16417	1.5
215.17926	5.0
217.16006	0.9
217.19489	10.3
219.17560	0.5
219.21124	0.7
221.15363	1.0
221.18925	4.5
223.17079	0.5
227.17929	0.7
229.19489	1.4
231.06514	0.6
231.17433	2.2
231.20976	3.2
233.15271	1.1
235.16878	5.6
241.19498	1.6
243.21011	1.5
245.22559	2.8
247.16888	6.3
249.18459	18.1
250.18645	0.5
252.66072	0.5
255.21017	1.1
257.22693	1.0
259.16562	0.5
261.18518	3.2
269.22556	1.2
273.18665	0.5
275.20062	0.6
283.24219	0.6
287.20007	0.9
289.21469	1.3
297.26038	0.5
301.21512	1.0
303.23459	0.6
315.23242	0.8
329.24634	0.8
355.26199	0.7
369.28049	0.5
393.35120	6.2
394.35876	0.6
416.30179	0.5
421.34634	1.2
439.35666	35.1
440.36163	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2174
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.9
55.01863	1.2
55.05505	9.2
57.03419	2.8
57.07065	67.7
59.04995	1.6
67.05482	6.5
69.03415	6.9
69.06702	1.6
69.07053	14.1
70.06582	14.4
70.28723	3.6
71.04970	4.8
72.08128	2.5
79.05473	5.6
81.03407	7.6
81.07042	42.9
83.04973	2.4
83.08601	3.1
84.08104	5.8
85.02884	9.1
85.06525	20.4
86.09692	10.2
87.00829	2.9
91.05463	3.3
93.07041	3.9
95.08591	28.6
97.02883	6.8
97.06518	2.6
97.10154	15.5
99.04403	2.1
99.08074	42.8
105.01853	3.2
105.07020	4.5
107.04929	1.9
107.08571	4.7
109.02851	3.7
109.06500	3.4
109.10123	5.5
110.07151	1.3
111.04420	2.0
111.11712	4.4
119.08575	3.9
120.08098	6.2
121.10109	3.4
123.08069	3.6
123.11652	1.2
127.03889	7.7
129.10196	4.2
131.08510	3.3
133.10129	3.0
135.08014	1.5
135.11626	1.5
136.07561	1.4
137.05992	1.3
137.09644	1.1
137.13239	25.5
143.08496	2.1
145.10097	2.1
147.11667	1.9
149.13255	2.0
151.07498	2.0
153.12685	1.2
155.14278	100.0
156.14622	2.0
161.09657	1.2
171.11517	1.1
173.09505	1.2
173.13196	2.7
173.15337	31.0
183.14798	1.5
191.14337	8.6
191.16377	69.5
205.35597	1.2
207.13818	1.3
229.15526	1.9
237.14409	1.1
246.14902	4.1
267.15692	1.0
316.84564	1.1
342.27713	1.2
374.97882	3.3
388.95621	2.5
392.98776	2.3
397.99490	6.0
439.19623	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2168
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.4
55.01852	1.7
55.05492	4.4
56.05007	2.0
56.96555	0.9
57.03415	2.3
57.07067	1.6
57.96276	1.1
61.02906	1.0
67.05492	17.9
69.03413	6.9
69.07057	6.8
70.06584	11.7
71.04980	54.7
71.08602	1.7
71.63054	1.6
72.08138	3.4
73.02904	2.0
73.06474	1.0
79.05468	4.2
81.03389	6.1
81.07043	64.7
83.08607	1.4
84.04478	2.1
84.08137	6.8
85.02887	17.3
85.06528	16.4
86.09709	6.9
87.00820	6.7
88.03993	1.2
91.05456	2.1
93.07010	1.8
95.08590	55.5
95.15141	0.9
97.02894	7.3
97.06512	1.6
97.10196	1.1
99.04433	2.7
99.08065	3.5
105.01865	4.9
105.07024	1.5
107.08561	1.4
109.02876	5.2
109.10121	9.5
110.07119	2.1
111.11663	1.8
113.30768	0.9
119.08529	1.6
120.08095	3.0
121.10140	1.2
125.05922	1.1
127.03872	8.4
129.10188	2.5
135.08089	1.0
136.07520	1.7
137.13225	14.7
139.11140	3.3
145.04987	1.3
155.14275	100.0
156.14598	1.5
159.02786	1.5
173.15344	47.9
182.12421	1.3
191.14612	1.9
191.16385	24.1
205.04964	2.7
213.03731	1.3
213.12210	1.5
235.04587	2.2
242.14622	2.5
247.89960	1.2
249.06116	1.2
253.05524	3.9
259.09631	1.8
277.10809	1.7
295.06802	1.5
313.07520	1.5
343.93704	1.1
410.93149	1.0
439.20514	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.3782
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	1.7
55.52690	1.1
57.01634	1.3
57.07067	74.8
57.34165	1.1
63.96055	1.5
67.05485	2.4
69.07054	7.8
69.29695	14.7
71.08621	66.5
73.06538	4.1
81.07046	1.7
83.08605	3.4
85.10172	38.8
87.04462	2.4
89.06016	100.0
93.07035	1.3
95.08601	1.7
97.10139	2.2
99.11715	5.0
101.43095	1.3
107.04942	1.6
107.08567	1.5
111.11678	3.6
113.13266	6.0
127.14796	3.2
130.08591	2.4
132.12289	1.3
133.08578	59.8
151.09633	5.5
177.11192	13.4
195.12222	2.7
221.13898	2.9
227.23564	2.0
239.14859	61.3
271.26260	3.6
282.24170	1.7
285.16089	1.3
290.28439	1.4
306.97845	1.4
315.28809	4.1
324.26703	3.7
369.14499	1.4
377.32626	1.9
421.35168	78.4
422.35489	5.0
438.33322	14.4
438.42789	1.9
439.34235	1.7
462.47357	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1958
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26906	0.3
51.02375	0.4
53.03937	6.5
55.01870	1.6
55.05503	2.6
57.03428	4.6
57.07054	1.2
60.07146	0.3
61.02915	1.1
65.03922	0.6
67.05496	5.6
67.33353	0.3
68.99770	3.3
69.03420	12.9
69.07054	2.5
70.06583	2.3
70.21891	1.8
70.66045	0.4
71.04585	0.4
71.04984	7.9
73.02908	1.1
79.05477	4.4
81.03407	46.5
81.07044	16.2
82.03744	0.4
83.01328	0.5
83.04974	1.5
83.08607	0.8
84.08134	1.2
85.02892	31.6
85.06528	2.2
86.09691	1.5
87.00823	0.9
91.05470	2.5
93.07034	8.2
95.01260	0.3
95.04949	4.2
95.08595	6.6
97.02877	54.6
97.06517	14.1
98.03210	0.4
98.20827	0.5
99.04440	16.2
99.05091	0.8
99.08076	1.0
105.07006	5.3
107.04948	0.4
107.08578	18.1
109.02864	54.7
109.06499	9.0
109.10144	8.5
110.03708	0.4
111.04411	1.0
111.08064	1.8
113.09630	0.4
117.06959	0.5
119.08577	2.7
120.08098	0.7
121.06509	2.2
121.10124	9.9
123.04468	0.5
123.08070	3.3
123.11687	6.1
125.09605	0.9
127.03897	100.0
128.04218	1.1
129.10219	0.7
131.08545	5.8
133.10112	7.2
135.08052	3.7
135.11659	1.1
137.09592	2.2
139.07513	0.9
139.11154	1.6
145.04947	4.8
145.10077	1.3
147.08049	0.4
147.11687	2.5
149.09602	4.0
149.13237	12.6
150.13576	0.6
151.03902	0.5
151.11156	11.6
153.09082	1.8
161.13231	1.4
163.07550	0.4
163.14789	4.2
165.12848	0.6
167.10680	1.9
167.14262	0.6
169.12274	0.7
171.02873	0.5
173.13252	7.0
179.14296	1.0
187.07552	0.5
189.12770	0.7
191.14275	11.7
193.12158	0.4
193.20981	0.4
201.05453	0.7
207.13808	0.6
209.15329	13.6
211.14384	0.5
213.03911	35.7
214.04204	0.5
227.16373	6.7
232.03629	0.8
247.05963	3.8
267.15973	0.8
421.18335	0.6
439.19739	3.4
457.20728	4.5
458.20261	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.2688
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73224	1.4
55.01880	1.5
55.05256	2.8
55.05503	35.0
57.03428	5.0
57.07062	14.5
67.05485	5.0
69.07058	27.4
70.06537	1.7
71.01337	1.4
71.02265	3.3
71.04967	3.5
71.08617	5.0
73.02884	1.9
81.07040	9.1
83.08607	100.0
85.02928	1.8
87.04446	2.7
93.07018	3.2
95.08591	12.1
97.10150	34.6
101.02347	7.0
105.06993	2.0
107.08593	1.6
109.10142	7.2
111.11702	2.0
115.03915	11.7
123.11634	2.1
129.01820	3.5
133.05025	1.6
143.03377	6.2
157.01344	9.3
161.04445	1.8
165.16359	11.3
171.02913	2.3
171.17419	98.0
172.17815	2.9
183.17413	2.5
189.03923	35.5
205.03358	1.8
207.04971	13.6
215.20061	7.4
270.37677	1.6
289.87704	1.3
346.24527	2.0
371.20502	3.6
376.28485	3.0
394.29178	2.3
403.23227	3.3
420.28012	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	438.3362
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03914	0.4
55.05484	0.3
57.07073	1.2
57.21915	0.2
60.63166	0.2
67.05458	0.3
69.07045	0.4
70.80986	0.4
71.08630	1.2
74.05482	0.2
74.06036	0.2
78.92059	0.2
79.05483	9.1
81.07022	0.3
82.84206	0.2
83.08607	0.2
85.10151	0.6
89.06001	1.1
91.05451	0.2
93.07030	1.1
94.06518	0.4
95.04929	0.9
95.08575	0.3
103.05456	18.5
104.05717	0.3
105.06310	0.2
105.07000	1.7
107.04939	10.8
107.07317	2.8
108.05314	0.2
119.08539	0.2
120.08083	2.0
121.06465	0.8
121.08862	0.5
131.04909	5.3
133.08554	1.1
134.09619	1.3
148.11159	0.4
149.05881	0.4
162.12714	0.6
164.07101	0.4
165.07784	0.3
172.91458	0.2
176.14334	0.3
177.11169	0.2
178.01898	0.2
178.08603	0.3
190.15895	0.5
192.10144	0.3
197.11389	0.2
218.19044	0.5
232.20494	0.4
239.14893	1.1
248.16383	0.3
262.18036	0.5
268.13324	0.3
276.19516	0.3
288.26785	0.3
290.28375	30.1
291.28644	1.1
393.39001	0.3
394.35251	0.3
394.39709	2.0
421.35187	1.2
437.33099	0.2
438.33591	100.0
439.33978	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	438.2325
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.8
55.01844	1.4
55.05499	1.4
57.03425	1.9
59.04985	1.1
61.02905	1.6
65.57188	0.6
69.03416	8.0
69.07054	3.2
69.54202	1.8
69.54607	2.8
70.06584	1.3
71.04985	1.3
71.08620	45.3
73.02901	2.1
81.03407	5.9
81.07030	1.1
83.08567	0.7
85.02888	16.7
87.00809	9.3
95.08589	0.8
97.02871	9.1
98.21517	0.6
99.04460	3.3
99.08075	100.0
100.08424	0.8
105.01845	7.6
109.02848	6.5
112.05185	0.6
117.01849	1.0
121.06472	0.6
127.03897	12.2
129.01787	1.1
129.12740	10.5
145.04939	5.1
155.08559	3.3
155.14308	3.1
159.02875	3.5
173.15344	81.1
174.15620	0.7
183.39793	0.6
201.58710	0.7
231.04941	1.9
306.46762	0.7
438.24973	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.1535
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55619	2.7
52.57553	2.4
55.01865	5.6
56.02418	2.6
56.05011	7.8
58.99564	10.5
61.01126	4.2
68.05013	3.3
69.03417	3.4
69.07077	3.4
70.02912	6.8
70.06583	39.8
71.04984	3.7
71.06911	7.4
71.62053	5.3
72.04507	5.5
72.08154	3.7
74.00649	12.2
74.06083	4.4
76.02213	15.9
76.03970	8.2
80.04984	7.0
83.06082	5.0
84.04488	91.1
84.08119	12.1
85.01111	33.4
85.02883	6.6
85.04013	4.6
86.00636	30.9
86.09691	5.7
86.99034	60.1
88.02218	5.0
88.03937	3.1
95.04951	3.6
96.04486	4.4
97.01108	4.4
97.02850	3.9
97.06519	12.0
98.00587	2.8
99.05541	3.6
100.02161	6.0
102.03756	17.7
102.05518	14.7
105.28574	3.1
107.04962	3.2
108.04483	3.3
108.05253	4.3
109.07625	3.6
110.07137	4.0
112.02178	29.8
112.03996	4.1
112.07603	3.2
114.03736	10.5
114.73366	2.8
116.01653	23.5
120.08031	5.1
127.02126	6.2
129.06589	4.2
129.10208	6.9
130.03233	14.3
130.04959	27.3
132.01071	3.8
136.07532	2.9
137.05959	16.1
137.06898	3.4
137.08270	3.4
138.70749	2.7
142.03181	14.8
143.02730	33.5
144.01106	6.9
145.06100	5.1
153.06517	4.6
155.08096	3.0
156.06473	3.8
158.02718	7.9
159.11555	3.3
162.02194	11.0
168.04742	4.3
169.04291	6.5
170.02739	3.0
170.06281	9.0
171.02159	6.2
177.03275	6.0
179.03351	3.1
179.04811	7.4
181.06111	3.3
188.03625	4.5
188.07288	4.2
189.03244	100.0
195.64786	2.9
196.04247	10.9
205.06395	7.6
215.04831	47.3
217.06343	7.0
224.03596	2.6
229.09653	6.1
230.08052	4.0
233.05826	18.4
245.05994	2.9
254.91536	2.9
257.09378	4.7
287.06876	17.0
291.09991	28.0
301.11725	3.9
301.94574	2.6
309.11206	3.9
362.09967	9.3
420.12289	11.2
420.22845	4.6
438.15091	12.2
438.23804	32.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.4143
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.8
55.05499	3.1
56.05034	1.3
57.07070	2.2
60.04534	0.4
67.05495	4.1
68.05027	0.4
69.07060	3.1
69.73704	0.9
69.74110	2.4
70.06593	1.3
71.08639	0.9
72.04499	1.9
73.02927	0.5
74.06059	2.5
79.05481	14.3
80.05026	1.3
81.07045	3.7
82.06566	1.9
83.08617	2.9
84.08134	0.4
85.10194	0.6
88.07634	1.1
89.06008	0.4
91.05499	1.7
93.07024	4.1
94.06551	3.1
95.05000	1.1
95.07352	0.6
95.08603	3.3
96.08142	1.2
97.10189	1.2
98.06030	0.5
100.07623	1.9
102.05562	0.5
103.05451	23.4
104.05844	0.8
105.07011	2.3
107.04935	13.1
107.08605	1.0
108.08097	2.8
108.08749	0.4
112.07648	1.7
114.09150	0.6
116.07080	0.8
118.06521	4.8
119.08591	0.6
121.06547	1.3
121.10178	0.4
121.84447	0.4
122.09690	1.1
123.11751	0.5
124.07570	13.5
126.09180	1.1
126.64832	0.4
131.04912	7.0
132.05284	0.4
132.08040	3.1
133.08864	1.1
134.09683	0.8
135.11607	0.5
136.11243	0.9
138.09119	2.4
139.09874	1.9
140.07173	0.4
140.10686	1.8
146.09595	2.1
150.03995	0.4
150.12814	0.4
152.07089	2.0
152.10684	5.2
154.20375	0.4
155.53542	0.4
160.11249	1.4
164.14383	2.5
166.08722	0.4
166.12341	0.7
168.10219	0.6
170.08252	0.5
174.12814	0.7
177.16481	0.4
178.16010	1.0
180.10199	0.7
180.13745	0.4
180.17464	0.4
187.55473	0.4
190.08688	0.7
192.17441	2.1
206.19052	2.2
218.11671	0.4
220.20581	3.7
224.20245	0.6
226.21753	1.4
234.22075	2.0
236.16489	0.6
236.20055	1.9
236.23799	0.6
238.21808	1.4
248.23686	2.0
250.21631	4.6
252.23210	1.8
254.24953	1.2
262.25388	0.6
264.23160	2.9
266.24951	1.3
278.21643	0.6
278.24744	3.5
280.26382	1.2
281.14102	0.5
281.46265	0.4
288.26807	31.0
289.27148	2.7
294.28119	0.7
303.34912	0.4
306.24457	0.7
318.31555	5.4
319.32510	0.7
346.34628	3.0
390.37527	2.2
392.35104	14.3
392.39096	97.6
393.35501	0.8
393.39532	4.6
394.40866	0.6
429.10486	0.4
436.32315	100.0
436.36969	6.8
436.41977	83.4
437.32510	12.3
437.36935	0.8
437.42371	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	436.3779
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.0
55.01852	1.5
55.05501	3.6
56.05013	2.0
57.07075	3.3
58.06572	0.6
67.05496	4.7
68.05016	0.5
69.07066	4.6
69.94026	2.5
70.06559	0.9
71.08614	1.7
72.04485	1.3
73.02898	1.3
74.06069	0.8
79.05067	1.0
79.05484	13.1
80.04997	1.0
81.07053	5.2
82.06546	1.7
83.08598	2.7
85.10159	0.9
88.07595	0.8
89.05981	0.6
91.05437	1.5
93.07020	4.3
94.06561	3.0
95.04954	1.3
95.07335	0.7
95.08597	4.2
96.08083	1.0
97.10121	1.9
98.20861	0.6
100.07577	1.1
102.05497	1.6
103.05459	22.1
105.07037	2.7
107.04273	0.7
107.04944	10.4
107.08549	2.3
108.08103	3.2
116.07066	0.9
118.06535	3.5
119.08567	1.3
120.99683	0.5
121.06444	1.9
121.10101	1.6
122.09609	1.7
123.11687	0.9
124.07606	2.5
128.07047	0.8
131.04915	5.5
132.08087	2.7
133.08670	0.8
133.10120	0.9
134.09627	1.0
135.11623	0.9
136.11115	1.0
140.07002	0.7
140.10669	0.9
146.09561	2.2
149.05948	0.8
150.12646	0.7
152.07045	3.8
152.10634	1.0
160.11093	0.7
164.14299	1.3
166.08597	0.7
168.10141	1.4
170.08066	1.3
174.12599	0.8
176.11163	0.5
178.15791	2.3
180.10194	2.7
180.17340	0.8
184.01874	0.5
192.17484	12.0
194.18971	0.8
206.19048	8.0
208.20551	1.6
220.20578	8.7
221.20909	0.8
226.17931	0.7
226.21564	1.1
234.22087	3.5
236.20132	0.9
248.23653	1.5
250.17950	1.1
250.21558	2.1
252.19398	0.8
254.21040	1.8
258.22125	0.8
262.25137	0.9
264.19489	1.7
264.23282	1.1
266.21008	1.8
276.26724	0.9
278.21100	4.2
278.23755	0.7
280.22504	0.9
288.26813	29.2
289.27045	1.8
290.28320	0.9
294.24051	0.8
316.29715	0.9
318.27911	0.9
318.31516	17.0
319.32050	1.3
326.57767	0.6
346.34506	2.8
350.96741	0.5
355.86771	0.5
390.33490	2.2
392.34927	100.0
392.38867	12.2
393.35327	3.5
394.36694	2.6
419.32941	0.6
436.31772	91.1
436.37601	97.1
437.32193	6.4
437.37949	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	436.2321
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	1.3
57.03421	1.8
59.46735	0.5
68.05013	0.7
69.03416	5.9
70.06578	88.0
70.75407	1.7
73.02913	0.8
80.05022	0.7
81.03397	0.8
84.08131	2.6
85.02888	7.5
93.07030	0.8
95.04971	0.8
95.22042	0.6
96.08091	0.7
97.02877	1.8
99.04416	0.8
101.02363	1.0
107.04935	48.6
108.05283	0.8
108.08111	1.6
115.03901	1.1
117.07006	1.2
120.08089	0.7
126.09151	1.5
127.03886	7.0
131.04948	1.6
131.08528	0.7
133.06445	0.8
134.09634	2.7
136.11162	3.7
145.04913	1.2
145.06467	6.9
147.08014	0.8
148.11166	3.1
149.12021	2.8
150.12740	9.4
159.08102	2.0
244.16946	1.0
256.16916	100.0
257.17258	2.5
274.17963	95.3
275.18332	2.9
385.65683	0.7
436.23221	52.9
437.23642	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	436.2324
Annotation	Tongolenine D
Peak:m/z	Relative Intensity
53.03925	0.4
56.71552	0.4
68.05021	0.9
69.03410	0.8
70.06580	96.0
70.51777	1.5
71.06929	1.0
73.02917	0.5
84.08123	2.8
84.20772	0.3
85.02901	1.3
86.64986	0.3
87.04435	0.4
96.08123	0.6
97.02900	0.8
100.07603	0.4
107.04935	17.9
122.09619	0.4
126.09125	2.4
126.96281	0.3
134.09612	0.4
136.11191	2.7
145.06432	1.7
148.11234	0.9
150.12727	2.7
159.08029	0.8
187.11218	0.4
195.12910	0.4
210.49962	0.4
244.16806	0.7
256.16919	20.0
257.17352	0.4
274.17975	19.3
275.18298	0.5
316.18710	0.4
418.22168	16.9
436.23239	100.0
437.23657	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.3203
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03882	0.3
55.05420	1.4
55.05706	0.5
56.04972	0.4
57.06976	1.3
67.05402	1.8
69.06960	1.4
69.94039	0.9
69.94442	0.5
71.08564	0.3
72.04404	0.9
72.04749	0.2
73.02821	0.3
74.05970	1.0
79.05384	11.5
79.05885	1.1
80.04951	0.5
81.06948	1.6
82.06469	0.8
83.08604	1.1
88.07549	0.4
91.05389	0.9
93.07018	2.0
94.06448	1.5
95.04854	1.1
95.08584	1.4
96.08025	0.6
97.10072	0.5
100.07497	0.9
102.05457	0.3
103.05448	21.5
103.06102	1.0
104.05732	0.4
105.04381	0.3
105.07025	2.4
107.04935	12.5
107.05595	0.6
107.07228	0.3
107.08485	0.7
108.07990	1.2
110.73880	0.2
112.07490	0.6
115.59376	0.2
118.06522	3.9
119.08511	0.4
120.07920	0.3
121.06496	1.4
121.10073	0.4
122.09648	1.1
124.07566	5.2
126.09027	0.7
131.04895	7.0
131.74084	0.2
132.08067	2.6
133.08727	1.0
134.09529	0.5
135.11554	0.3
136.11166	0.3
138.09015	0.9
139.09795	1.0
140.10661	1.1
146.09599	2.2
148.11142	0.5
149.05814	0.4
152.06918	0.9
152.10664	2.2
153.11382	0.3
160.11108	1.0
162.12624	0.4
166.08536	0.3
174.12698	0.4
178.15881	0.6
180.10059	0.5
190.08499	0.7
192.17412	2.3
194.18875	0.3
206.18993	1.4
208.20407	0.4
212.19820	0.3
220.20564	2.2
224.20038	0.3
226.21594	0.8
234.22104	1.1
236.20009	1.5
238.21613	0.5
240.23218	0.3
248.23703	0.8
250.21623	2.6
252.23207	0.5
254.21007	0.3
254.24765	0.5
262.25192	0.2
264.23154	1.0
266.11725	0.3
266.21329	0.3
266.24741	0.7
278.21432	0.5
278.24728	2.1
280.13379	0.6
280.26343	0.5
288.26794	31.6
289.27112	1.5
292.22644	0.4
292.25980	0.2
294.24179	0.3
294.27744	0.3
316.29773	0.3
318.31546	3.1
346.34601	1.5
360.36353	0.3
387.69962	0.2
390.37424	1.5
392.34991	10.6
392.38943	47.8
393.35196	0.6
393.39603	1.3
394.36227	0.3
394.40723	0.6
408.68192	0.2
436.32178	100.0
436.36880	6.4
436.41949	44.6
437.32388	7.8
437.42035	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.2173
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00298	0.5
53.03929	1.3
55.01854	0.8
55.05491	1.6
56.05029	0.5
57.03411	0.7
57.07062	0.6
59.04971	1.0
67.05479	1.8
69.03417	2.5
69.07056	2.6
70.06571	4.1
71.04977	11.0
71.26470	0.5
71.26801	0.6
72.08146	0.9
73.02915	0.5
73.06554	3.2
77.42173	0.4
79.05481	3.6
81.03391	1.9
81.07043	13.6
83.08599	0.5
84.04500	0.9
84.08115	1.7
85.02898	5.8
85.06476	0.5
86.09682	1.7
87.00816	2.7
91.05459	1.7
93.06464	0.6
93.07028	9.9
95.04935	1.1
95.08591	2.8
97.02878	2.5
97.06509	1.9
99.04437	1.1
103.03886	0.5
103.05448	1.6
103.67834	0.4
104.60652	0.4
105.01841	3.3
105.07026	0.8
107.04914	1.2
107.08582	8.5
109.02848	1.7
109.06519	0.6
109.10128	2.1
111.08070	0.6
119.08569	0.7
120.08096	0.8
127.03881	4.0
129.10287	0.4
131.04910	2.8
133.09984	0.5
135.11667	17.0
145.04945	1.8
153.12718	100.0
154.13068	1.9
159.02864	0.8
163.07558	1.4
167.07027	0.6
171.13777	1.6
195.13898	0.5
231.04996	1.0
249.06084	0.5
267.11069	0.5
274.18060	1.4
295.10654	2.8
360.41223	0.5
416.78357	0.4
436.18845	0.6
436.24319	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.2172
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	3.1
55.01855	3.9
55.05494	6.0
57.03414	2.5
61.01154	2.3
61.02873	2.3
67.05484	6.9
69.03417	15.1
69.07072	8.8
70.06583	24.7
71.04975	3.2
71.07523	4.5
72.08147	2.1
73.02889	3.1
76.93265	1.9
79.05478	20.1
81.03412	12.7
81.07047	15.6
83.04942	3.5
84.08117	5.3
85.02895	49.6
86.09680	2.3
87.00809	23.3
91.05476	25.3
93.07030	100.0
95.04942	5.4
95.08592	24.5
97.02874	30.5
97.06522	3.6
99.04440	6.4
105.01851	53.6
105.07034	9.2
107.08579	98.3
109.02863	13.6
109.06491	3.7
109.10139	4.2
115.03922	2.0
118.06855	3.5
119.04910	1.9
119.08556	3.4
120.08060	2.8
127.03895	49.1
133.10139	3.3
135.11673	61.1
137.13200	4.5
145.04932	29.8
147.02980	1.7
147.04362	3.2
147.11705	2.2
153.12706	10.1
159.02838	6.6
159.09140	2.5
165.12712	2.7
175.11255	2.1
183.10217	2.4
215.13925	3.6
231.04929	14.2
249.06027	6.8
261.14865	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2732
Annotation	Iriomoteolide 3a
Peak:m/z	Relative Intensity
53.03917	2.7
55.01857	3.1
55.05500	17.1
57.03424	13.0
57.07046	2.1
59.04978	0.6
65.03918	2.5
67.05491	59.9
68.05799	1.6
69.03413	4.3
69.07053	21.2
70.06579	3.0
70.07404	0.7
71.01348	4.4
71.04964	4.0
71.26538	1.1
71.26869	1.0
72.08149	0.8
73.02879	1.5
74.09704	0.8
77.03908	1.2
79.05476	60.0
80.04987	3.7
80.05821	0.8
81.03402	7.4
81.07040	67.3
82.07356	1.8
83.04967	11.4
83.08605	15.3
84.04477	0.7
84.08114	2.5
84.08943	0.7
85.02884	4.9
85.06519	3.9
86.03252	0.6
86.09695	1.1
91.05462	32.0
92.05758	1.0
93.07024	73.3
94.07342	2.0
95.04942	10.5
95.08585	35.8
96.04479	1.3
97.02881	4.2
97.06507	9.9
97.10124	2.4
99.08061	2.3
103.05432	0.7
105.04480	1.5
105.07005	17.0
106.02892	1.7
106.06560	1.1
106.07304	0.9
107.03220	0.6
107.04927	4.8
107.08570	25.3
108.04457	6.5
109.04807	1.3
109.06509	3.4
109.10126	3.7
111.03165	0.8
111.04422	1.2
111.08068	5.0
113.05990	0.6
115.03874	2.2
115.05383	1.3
116.06214	1.0
117.07001	9.6
119.08549	8.0
120.08069	0.9
120.08837	0.7
121.06455	3.3
121.10116	40.2
122.05984	1.4
122.10441	1.4
123.04524	0.6
123.08038	6.1
123.11660	3.7
124.03928	28.3
125.03464	0.6
125.04274	9.8
125.09588	3.0
128.06126	0.8
129.06982	5.0
130.08775	0.6
131.08540	22.1
132.08832	1.0
133.06419	1.2
133.10106	10.9
135.08014	2.1
135.11662	6.9
137.09607	1.4
139.07521	0.7
139.11139	5.0
141.06932	1.6
142.04970	0.8
143.08553	2.8
145.06430	0.8
145.10097	4.7
147.11668	2.8
149.09590	14.8
149.13226	18.9
150.13615	0.7
151.11139	1.4
151.27509	0.6
151.32249	0.6
155.08522	2.0
157.10112	2.6
159.08131	0.8
159.11644	8.8
161.09579	1.4
161.13239	1.0
162.05510	0.7
163.11079	1.0
167.10626	11.5
167.14279	1.0
169.10068	2.3
171.11678	3.4
173.09554	1.2
173.13234	1.9
175.11165	0.7
175.14734	0.7
176.03500	0.7
177.12729	4.5
181.10092	0.7
183.11615	2.0
185.09595	0.6
185.13235	1.6
187.11136	2.1
187.14722	1.0
188.10674	1.9
190.04950	1.9
191.05315	1.7
195.11827	1.2
195.13768	12.0
197.13220	1.2
199.11188	0.7
199.14778	0.8
201.12605	0.8
206.04501	1.5
207.04788	1.8
209.13196	2.0
213.12697	1.7
213.14833	2.6
223.14906	0.9
227.14243	0.8
230.18959	0.7
231.19325	1.1
240.08636	1.9
241.08934	1.5
243.07381	1.1
244.07668	0.9
245.15355	0.9
256.08093	9.2
257.08481	8.0
258.18634	0.8
259.09558	1.0
259.18759	1.7
269.17325	3.4
275.18112	1.2
297.22205	0.6
303.17783	1.6
307.20258	0.8
310.27042	0.6
311.06845	0.6
315.23267	1.1
325.21524	5.4
343.22559	6.2
361.23572	2.3
363.23538	1.4
399.25159	1.7
407.22647	1.2
407.28058	0.8
417.21436	1.3
417.26352	11.8
418.26395	0.9
435.21848	66.2
435.27328	100.0
436.22122	4.8
436.27676	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	435.2733
Annotation	Iriomoteolide 3a
Peak:m/z	Relative Intensity
51.02351	2.1
52.36280	1.5
53.03925	4.5
55.01862	6.7
55.05499	24.6
56.05030	1.8
57.03433	13.7
57.07057	3.4
64.47408	1.5
65.03946	2.6
67.05492	58.7
69.03407	6.9
69.07050	23.5
70.06571	9.4
70.15428	7.9
71.01331	5.4
71.04984	6.6
72.08117	2.7
73.02914	2.8
75.08488	1.6
79.05481	61.7
81.03402	8.3
81.07040	73.7
83.04954	13.7
83.08592	20.2
84.08124	6.5
85.02898	8.6
85.06531	5.0
86.09676	4.0
87.00845	3.5
91.05460	34.6
93.07024	70.8
95.04955	12.5
95.08033	3.1
95.08588	32.7
97.02866	3.5
97.06506	14.7
97.10130	2.1
99.04463	1.5
99.08078	2.4
100.07577	2.1
100.11240	20.6
103.05479	2.1
105.01912	2.1
105.04523	2.4
105.07026	16.7
107.04962	8.9
107.08574	31.2
109.02831	3.7
109.06501	3.2
109.10125	6.5
111.04441	4.8
111.08088	5.8
117.07027	7.2
119.04972	2.4
119.08561	11.4
120.08116	2.2
121.06510	5.1
121.10119	40.1
123.08061	6.4
123.11687	4.0
125.09632	2.3
127.03915	4.0
129.06982	4.3
129.10112	1.8
131.08554	21.8
133.10110	15.5
133.36612	1.5
135.08044	2.0
135.11681	13.5
137.05977	1.7
139.08665	2.7
139.11165	6.6
141.11400	2.1
143.08566	2.8
145.10075	5.0
147.04396	3.9
147.11678	2.3
149.06023	2.5
149.09602	14.9
149.13216	17.2
153.01833	3.1
153.12709	2.5
155.06963	3.4
156.09340	2.3
157.10120	4.6
159.11659	10.0
161.09740	2.1
167.07063	2.7
167.10617	8.9
171.11710	4.5
173.13284	4.6
177.05507	1.7
177.12756	4.9
181.05000	2.1
182.15346	9.0
185.13220	5.6
187.14822	3.3
195.13737	12.2
199.14835	2.8
199.18098	2.1
209.08131	5.5
209.13283	2.0
209.16504	4.0
210.14832	13.9
211.11200	1.7
223.27473	1.8
228.15912	2.4
241.19476	2.8
245.18605	2.0
268.21622	2.6
269.17419	4.1
273.07495	9.5
274.08063	1.7
295.10776	1.6
325.21671	3.6
326.28018	2.0
331.74762	5.2
332.24817	2.0
340.75220	2.6
343.22754	3.2
353.76111	5.7
417.21890	2.7
417.26620	6.2
426.29617	5.1
426.79736	1.8
435.27444	100.0
435.32092	3.7
436.27579	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	435.2735
Annotation	Iriomoteolide 3a
Peak:m/z	Relative Intensity
51.16693	0.7
53.03925	1.2
55.05502	9.1
57.03432	0.8
57.07055	2.0
65.03909	0.9
65.89358	0.7
67.05496	9.5
69.06717	0.9
69.07062	14.4
69.59861	5.2
71.04998	1.1
71.08624	0.8
71.43336	0.6
76.06708	0.7
79.05482	4.5
81.07045	16.2
82.51595	0.6
83.04972	1.4
83.08611	10.7
85.06527	1.3
91.05466	10.9
93.07031	6.6
95.04977	0.8
95.08598	12.6
97.06499	2.2
97.10156	12.8
98.20760	1.5
99.08062	1.0
105.07016	4.1
107.08589	4.0
109.06470	1.0
109.10157	6.8
111.08068	1.3
111.11710	6.1
115.37263	0.6
119.04929	21.2
119.08582	4.9
119.40616	0.7
121.10136	7.8
123.08023	1.1
123.10919	0.7
123.11703	3.0
125.09619	1.7
125.13242	1.9
131.08614	0.9
133.10107	4.0
135.11690	6.6
137.09541	1.5
137.13237	2.1
139.11163	2.2
147.04390	100.0
147.11656	4.8
148.04700	2.0
149.13239	1.5
151.11197	2.2
151.14836	1.8
153.12747	2.4
157.12259	0.8
161.13208	4.1
163.14856	0.9
165.05450	15.5
165.12761	2.2
169.12277	0.9
171.13808	1.2
175.14798	0.7
179.14313	1.9
189.16397	0.9
193.19585	1.3
217.19499	13.4
218.19754	0.7
219.06535	0.7
235.20535	13.6
236.20984	0.9
253.21606	11.9
271.22589	0.9
305.69730	0.6
310.30478	0.7
435.27344	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	435.2735
Annotation	Iriomoteolide 3a
Peak:m/z	Relative Intensity
52.13932	2.5
53.03938	5.7
55.01857	6.7
55.05502	28.1
57.03422	11.2
57.07062	2.8
65.03922	6.1
67.05495	77.2
69.03417	4.1
69.07061	24.6
69.99752	7.9
70.00160	7.1
70.06580	3.8
71.04982	7.5
72.08141	9.1
76.30297	2.4
76.72311	2.3
79.05027	2.1
79.05479	61.0
81.03406	5.6
81.06565	5.2
81.07043	80.2
83.04975	8.9
83.08605	17.6
84.08141	3.5
85.02843	2.3
85.06520	4.9
88.07540	2.5
91.05469	90.5
93.07030	65.3
95.04949	19.4
95.08585	41.8
97.06519	9.4
97.10149	5.3
99.08105	2.8
103.05476	4.5
105.03398	2.7
105.07021	70.0
107.04956	11.1
107.08578	30.4
109.05868	2.9
109.06492	14.9
109.10114	14.2
111.08058	3.2
112.92947	2.6
115.05451	5.3
117.07000	46.4
119.04903	6.2
119.08559	43.2
119.09322	3.6
121.06464	13.6
121.10107	19.5
123.08056	5.1
123.11811	2.8
125.09664	4.1
128.06221	6.9
129.06996	39.3
130.07845	3.2
131.08557	62.4
132.08911	3.6
133.06485	10.9
133.10129	33.7
135.08054	8.9
135.11699	7.5
137.09500	3.2
141.06975	15.4
142.07813	5.3
143.08546	32.2
145.06488	6.9
145.10097	36.4
147.08055	7.8
147.11694	10.8
149.09599	14.0
149.13248	3.2
151.11211	3.2
152.89935	2.7
154.07755	3.0
155.08527	15.2
156.09207	2.7
157.06577	3.0
157.10109	24.5
159.08055	8.0
159.11649	25.1
161.09650	3.4
161.13287	6.0
162.79269	2.6
167.08476	5.6
169.10086	22.9
171.11636	18.0
173.09624	5.8
173.13214	14.2
175.11185	6.6
177.12650	3.0
179.08519	2.7
181.10129	9.9
183.11754	13.6
183.13213	2.3
185.09569	6.5
185.13208	14.0
187.11186	8.4
187.14731	4.9
189.12741	6.9
195.11732	6.7
197.13268	9.5
199.11212	6.1
199.14830	5.9
201.12758	3.7
203.14430	3.7
205.12155	3.1
209.13295	8.7
211.11174	2.5
211.14783	3.7
213.12770	7.6
217.15929	4.1
219.13837	5.2
221.13269	2.5
223.14899	7.2
225.12730	3.2
227.14389	6.0
231.06540	3.2
231.13763	9.0
232.18478	3.0
233.13242	2.8
233.15440	7.0
241.16035	4.2
245.15471	5.9
297.22070	12.3
303.01303	2.8
307.20575	13.2
315.23157	26.3
320.33200	7.7
325.21570	66.7
343.22659	63.2
361.23672	47.0
363.26950	2.6
399.25290	4.9
417.13724	5.8
417.26266	96.9
418.26764	5.5
435.27475	100.0
435.43271	8.2
436.27200	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	435.25
Annotation	1-(9Z,12Z-octadecadienoyl)-glycero-3-phosphate
Peak:m/z	Relative Intensity
50.10327	1.2
53.03936	1.7
55.05507	14.5
57.03431	10.2
57.07058	6.0
61.72023	1.2
64.39353	1.5
67.05492	45.5
69.06711	2.2
69.07059	24.8
69.93742	3.0
69.94156	6.3
71.08617	2.0
75.26276	1.5
76.41948	1.3
79.05483	12.3
81.07047	50.8
83.08613	10.9
85.06497	1.5
91.05460	7.9
93.07036	14.3
95.07968	2.0
95.08591	40.1
97.06545	2.4
97.10168	6.8
98.98451	58.4
105.07022	8.4
107.08583	9.5
109.06526	2.1
109.10136	19.2
111.08055	2.0
111.11754	1.7
119.08581	6.4
121.10119	8.5
123.11681	7.4
133.08595	1.5
133.10136	7.2
135.11678	4.6
137.09633	1.9
137.13225	4.0
147.11647	4.5
149.13213	3.4
151.14815	1.8
155.01019	34.4
161.13286	4.0
163.14778	3.0
165.16383	1.8
173.02077	8.0
175.14836	1.8
189.16354	1.9
227.85329	1.4
229.07314	1.5
245.22610	13.3
254.97113	1.6
263.23666	27.0
268.87189	1.5
337.27319	100.0
338.27731	4.3
417.23767	1.9
435.30441	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2499
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98518	1.8
55.05505	17.5
57.03439	11.9
57.07068	5.7
58.16909	1.9
67.05495	55.7
69.07063	18.7
70.86090	5.7
79.05479	17.2
81.07047	64.9
83.08612	12.5
87.08103	2.2
91.05467	11.8
93.07028	19.0
95.08593	60.4
97.06528	4.2
97.10157	7.2
98.98454	100.0
105.07023	10.4
107.08567	10.8
109.06503	3.7
109.10142	26.2
111.08063	2.3
116.99492	3.1
119.08580	7.9
121.10124	15.3
123.11698	15.6
133.10118	9.2
135.11678	6.2
137.09613	2.9
137.13261	5.4
147.11662	6.9
149.13210	6.0
151.14803	9.0
155.01019	89.1
161.13232	5.4
163.14778	6.1
165.16362	5.9
173.02078	11.3
175.14795	5.4
245.22629	27.1
263.23666	69.9
337.27344	61.7
337.31491	2.6
338.27792	3.0
403.05539	2.7
417.23782	4.1
435.40405	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	435.1424
Annotation	Unknow
Peak:m/z	Relative Intensity
54.71312	0.4
55.05481	1.2
57.03402	0.5
67.05460	2.3
69.07056	1.0
70.06552	0.8
71.62789	0.9
72.08112	2.0
77.36223	0.5
79.05479	2.9
81.07050	2.4
83.08585	0.8
91.05473	3.8
93.06995	2.2
95.04931	0.8
95.08560	1.2
103.05427	0.5
103.17767	0.4
105.06998	2.5
107.04917	0.6
107.08560	0.7
111.08044	0.7
115.05438	0.8
117.06968	1.8
119.08543	2.1
119.09328	0.5
121.10136	0.6
128.06154	0.7
129.06934	1.5
129.51302	0.6
131.08531	3.9
133.06470	0.5
133.10097	1.1
141.06985	1.9
143.08488	0.9
144.05629	1.0
145.02783	0.7
145.06482	0.7
145.10092	1.1
157.10046	0.6
159.07994	1.9
159.11612	0.7
168.85727	0.5
169.06448	2.7
169.10014	0.6
171.11659	0.5
173.02208	0.5
174.03046	2.0
181.09964	0.6
187.03876	0.9
187.07509	7.7
188.04604	1.7
191.84731	0.5
201.01865	0.9
203.06990	3.4
205.08575	12.6
209.13211	0.6
213.05458	0.5
216.04150	83.5
217.04468	2.1
231.06490	100.0
232.06859	3.6
285.11261	0.9
290.05481	0.5
303.04865	0.6
320.33145	1.0
325.21674	1.2
334.10352	0.6
343.22742	2.2
361.07217	0.6
361.23807	1.1
364.35806	0.7
417.13586	2.3
417.26404	3.1
434.38345	1.9
435.14392	20.8
435.27374	4.3
435.38113	1.1
435.43359	1.7
436.14786	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2165
Annotation	6-Dihydroepistephamiersine 6-acetate
Peak:m/z	Relative Intensity
53.03925	0.4
54.45012	0.2
57.03424	0.4
58.43265	0.3
61.02911	0.7
61.53350	0.3
64.24819	0.3
69.03414	2.4
70.06577	100.0
70.49287	1.0
71.06905	0.6
73.02901	0.6
75.85689	0.3
80.65796	0.3
81.03413	0.8
83.04958	0.3
84.08139	0.9
85.02891	7.4
87.04459	0.7
97.02882	1.8
99.04424	0.4
107.04932	11.5
109.02896	0.7
121.06473	0.3
127.03912	1.7
133.06483	0.7
134.09654	0.9
136.11220	0.4
137.11989	0.6
145.04961	1.2
145.06459	0.7
147.10396	0.4
149.05971	0.3
166.12361	0.3
171.08034	1.0
175.11261	0.3
185.09592	0.5
203.10626	0.7
207.75607	0.3
254.15329	3.7
272.16385	19.6
273.16605	0.7
416.20724	1.1
434.21661	71.1
435.22064	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	434.3621
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94098	0.3
55.05486	1.0
56.05032	0.5
57.07055	0.7
57.40437	0.3
57.46667	0.3
67.05502	2.1
69.07043	1.3
69.94511	2.0
71.08601	0.9
79.05466	1.3
81.07043	2.3
83.08578	0.7
87.04424	0.6
91.05433	1.7
93.07030	2.0
94.06538	0.4
95.04928	0.6
95.08585	2.3
98.98426	1.5
105.06991	1.4
106.06557	0.7
107.07284	1.3
107.08570	1.4
109.06467	1.7
109.10115	1.3
109.10754	0.4
117.06973	1.1
119.08548	1.0
120.08044	1.8
121.10080	1.4
123.11673	0.6
129.07022	0.4
131.08530	0.9
133.08810	4.0
133.10030	1.0
134.09639	0.8
135.07994	0.7
145.10066	0.6
146.09622	2.3
147.07976	0.5
147.10362	0.8
147.11630	0.5
149.09624	0.7
154.12247	3.1
155.01001	1.8
157.09961	0.5
160.11130	1.7
165.07922	2.1
167.10718	0.9
171.11722	0.5
171.14894	1.8
177.07709	0.5
178.08511	1.1
188.14265	0.5
190.08514	0.5
192.10135	1.3
195.08798	1.1
208.09724	0.6
216.17438	0.5
222.11180	0.8
228.23445	0.4
239.14864	0.4
244.20311	0.5
245.22540	1.0
246.22395	0.5
260.23511	0.6
263.23624	1.5
276.19485	0.9
277.74722	0.4
346.34714	2.5
347.34940	1.1
348.35266	1.6
358.34494	1.6
372.36206	18.8
373.36563	0.9
386.29288	0.7
386.34122	12.5
387.34439	0.5
404.35190	17.9
405.35419	0.8
416.35199	2.5
434.36093	100.0
435.36343	6.0
442.65280	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.0918
Annotation	Quercetin-3-Arabinoside
Peak:m/z	Relative Intensity
53.03912	0.4
55.01849	0.4
55.05482	0.4
56.05032	0.3
57.03432	7.0
60.67022	0.2
61.02917	1.6
65.03925	0.3
67.05492	0.6
68.99792	0.6
69.03421	1.4
69.07047	1.1
70.06586	1.8
71.01346	0.5
71.04984	0.4
71.53886	0.2
72.01563	0.3
72.08154	1.7
73.02907	13.9
74.06073	0.3
79.05479	0.5
81.03402	1.1
81.07050	1.0
83.04939	0.3
84.04492	0.4
84.08146	1.4
85.02893	2.6
86.09708	2.3
87.00883	0.3
87.04481	0.3
91.05462	0.7
93.03437	0.3
93.07031	0.6
95.04947	0.6
95.08585	0.7
97.02857	0.8
99.04436	1.0
100.42533	0.2
103.03947	1.3
104.23228	0.3
105.01864	0.5
105.06985	0.4
107.04940	0.7
107.08590	0.5
109.02869	1.1
109.06498	0.3
109.10138	0.5
111.00782	1.0
115.03894	1.4
117.07036	0.3
120.08096	2.7
121.02857	1.2
121.06496	0.3
121.10149	0.4
123.04384	0.6
123.11661	0.3
127.03902	3.4
129.06950	0.2
129.10274	0.4
130.06548	0.3
131.04915	0.4
133.04964	0.5
133.10092	0.3
135.08098	0.4
137.02327	2.6
140.47484	0.3
145.04918	0.7
145.07497	0.2
147.04369	0.3
149.02286	0.4
149.09555	0.3
151.11172	0.5
153.01816	4.6
157.10014	0.3
159.11716	0.2
163.03876	0.5
165.01822	2.2
169.12218	0.6
170.12578	0.5
173.05971	0.7
181.04903	0.3
183.02876	0.6
183.04401	0.4
185.16467	0.3
187.03931	0.4
187.05904	0.4
201.05424	1.7
213.16078	0.3
228.04042	0.3
229.04910	3.7
247.06013	0.8
247.14334	0.3
257.04410	2.7
273.12344	0.4
274.04681	0.7
285.03958	1.1
289.06244	0.3
303.04950	100.0
304.05289	3.2
399.07092	0.3
407.99249	0.2
435.24530	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	8.6
55.01857	9.1
57.03434	7.2
60.54501	2.1
61.02914	8.3
64.49304	2.1
67.05476	11.8
68.99782	5.4
69.03416	35.5
69.07059	59.2
70.06577	9.6
71.04975	6.9
71.63260	3.9
73.02903	7.5
79.05473	2.9
81.03406	36.3
81.07050	19.7
84.08131	3.0
84.79704	2.2
85.02892	95.3
86.09704	4.5
87.00817	36.3
87.04440	2.1
91.05469	9.1
93.07011	3.4
95.08578	7.3
97.02873	71.0
99.04441	13.5
105.01852	59.5
105.07050	3.1
107.04941	2.7
107.08582	6.2
109.02853	41.1
109.10126	4.7
117.01847	5.1
117.07024	3.4
119.08614	3.2
120.08083	3.2
121.10141	3.6
123.11671	34.0
127.03899	100.0
129.01840	7.5
131.08528	3.8
145.04947	41.8
151.11162	55.3
151.12341	4.3
157.10112	2.7
159.02870	19.2
169.10107	2.6
213.03862	5.7
231.05008	15.9
321.09256	4.0
342.21530	4.0
399.16434	29.2
416.25055	5.0
434.20663	13.4
434.26093	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	434.2166
Annotation	6-Dihydroepistephamiersine 6-acetate
Peak:m/z	Relative Intensity
52.34752	0.3
54.78470	0.4
54.78734	0.3
56.05021	0.5
57.03397	1.1
61.02890	1.0
63.56268	0.3
69.03421	3.6
70.06582	8.3
71.04973	0.3
71.35949	0.6
71.36285	0.3
73.02881	1.0
79.05456	0.5
81.03368	1.0
82.06589	1.5
83.70490	0.3
84.08112	1.5
85.02421	0.4
85.02893	6.0
87.04411	1.1
91.03893	0.3
91.05411	0.3
93.07026	0.6
95.08561	1.1
97.02877	1.7
99.04390	0.6
101.02280	0.3
105.06928	0.4
107.04935	34.3
107.08585	0.3
108.05237	0.4
108.08092	0.5
108.10456	0.3
109.02838	0.6
109.10166	0.4
119.08504	0.7
121.06453	0.8
122.09618	0.6
123.08016	1.2
124.11211	1.5
127.03907	1.7
128.04219	0.4
133.06439	0.3
137.09573	3.0
145.04897	0.4
148.11212	0.4
149.05936	1.1
149.09474	0.4
150.09093	1.5
152.10655	1.2
154.77768	0.3
164.10707	0.6
166.12259	2.8
215.58855	0.3
243.13806	0.6
270.14859	0.8
272.16400	45.9
273.16748	1.5
314.17346	1.7
434.21680	100.0
435.22064	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	433.3094
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.9
55.05503	20.8
56.34716	1.7
58.88838	1.7
59.04992	36.5
65.03938	1.7
67.05491	8.9
69.03405	2.3
69.07048	6.5
71.04960	3.6
71.13850	2.7
79.05455	7.2
81.07046	12.7
85.06530	67.3
87.04474	9.7
91.05470	28.5
93.06551	1.7
93.07035	23.6
95.04910	6.0
95.08595	14.6
99.08053	6.0
105.07022	26.5
107.07295	5.6
107.08562	16.9
108.53662	1.5
109.06482	6.6
109.10125	12.5
111.08028	6.9
115.05416	2.8
117.06965	6.9
119.08570	49.2
120.08060	2.7
121.10128	15.5
122.07268	3.2
123.08029	5.4
123.11676	1.9
125.09602	18.2
128.06190	4.5
129.06934	6.9
130.07790	3.7
131.08568	14.0
133.10112	18.4
134.09608	3.7
135.08015	5.4
135.11633	7.8
137.09596	18.1
141.06961	3.0
142.07770	9.2
143.08534	17.7
144.09189	1.8
145.10072	21.3
147.08061	3.4
147.11598	7.4
149.09560	5.6
151.10088	2.4
151.11169	23.7
151.86580	2.0
153.06987	2.5
155.08525	7.1
156.09264	4.6
157.10104	16.6
158.10849	3.2
159.08000	2.9
159.11736	9.3
161.09576	2.9
163.11119	6.2
167.08514	2.6
168.09416	2.2
169.10095	9.1
171.11702	12.6
173.09586	2.5
173.13206	6.1
175.11125	4.5
175.14719	2.3
178.97200	1.8
179.08525	3.7
180.09230	2.1
181.10042	6.3
182.10831	2.9
183.11656	6.5
185.13184	4.7
187.11153	3.0
187.14781	3.1
189.12628	2.4
191.14267	2.1
192.09244	1.8
193.10117	3.4
194.10913	4.0
195.11722	8.2
195.13203	1.6
197.13170	5.7
199.14761	3.4
199.51025	1.8
203.14351	9.4
206.10750	2.3
207.11603	6.7
208.12392	3.4
209.13130	7.4
211.14780	5.6
213.12758	3.0
215.14299	5.3
215.65178	2.0
221.13182	4.9
223.14767	4.6
225.16306	2.6
233.13029	2.2
235.14803	4.7
237.16324	2.1
246.14157	1.9
249.16325	3.1
263.17926	2.9
265.19489	2.9
341.24649	3.3
346.34494	7.7
347.34961	36.2
433.31302	4.9
433.38428	100.0
448.66251	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.273
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36445	1.1
53.03930	4.1
54.80731	1.2
55.01847	4.2
55.05500	7.6
57.03424	1.5
57.07046	3.9
67.05491	14.8
69.07052	9.1
71.08618	1.3
71.58085	1.7
79.05472	18.0
81.03393	5.5
81.07045	15.4
83.04960	2.3
83.08595	5.1
87.04443	8.0
88.04797	2.7
91.05468	14.9
93.07038	8.3
93.82348	1.3
95.04948	6.5
95.08575	8.7
103.05457	1.6
105.03374	5.7
105.06996	7.8
107.04929	3.8
107.07317	1.8
107.08562	5.5
109.06487	2.4
109.10136	3.4
112.99996	3.8
115.05465	1.8
117.06991	4.0
119.08542	4.3
120.07259	1.6
120.08078	1.8
121.06529	1.5
121.10131	3.2
128.06198	3.5
129.06981	5.8
131.08514	3.5
133.02858	1.5
133.06454	1.5
133.10109	3.2
139.03879	2.0
141.06931	4.1
143.08507	5.7
145.06523	2.5
145.10115	2.6
146.09608	2.0
147.09924	2.2
147.11639	2.0
150.37936	1.2
151.03920	3.7
152.06229	2.2
153.06914	2.3
154.12238	4.4
155.08548	5.4
157.06419	1.7
157.10083	2.4
159.08057	1.5
159.11513	1.4
165.07069	2.8
165.12759	1.4
166.07759	2.5
167.08540	5.0
169.02504	2.6
169.10089	3.1
170.03075	1.4
171.08064	2.2
171.11629	1.9
171.14900	2.1
177.12741	13.5
178.07764	4.6
179.08514	6.9
180.09270	2.3
181.06427	2.3
181.10049	2.9
183.08008	3.1
185.13145	2.1
190.07672	1.8
191.08566	4.3
192.09264	2.1
193.06450	1.6
193.10100	3.9
194.07265	2.4
195.07990	3.5
195.11583	1.5
197.09685	2.3
202.07755	2.0
203.08492	4.6
204.09190	2.6
205.06680	1.8
205.10118	5.4
206.07199	1.6
206.10915	1.7
207.08025	3.2
207.11642	2.6
209.09583	3.4
209.13239	2.0
215.08546	3.7
216.09337	2.6
217.10083	4.4
218.07188	1.8
218.10909	2.6
219.07948	4.5
219.11665	3.2
221.09602	5.7
221.13235	1.6
222.10332	1.8
223.07602	1.5
223.11176	1.8
225.08981	1.4
229.10106	3.4
230.10773	1.6
231.08026	3.1
231.11591	3.2
233.09554	5.6
233.13251	1.9
234.10216	1.7
235.11143	2.3
237.09155	2.1
237.12697	1.5
239.14268	1.6
241.10100	2.1
243.11687	2.7
243.17470	2.7
245.09630	2.5
246.10373	1.8
247.11043	5.6
248.11836	2.0
249.12715	4.5
251.14314	2.5
255.11534	1.6
257.13092	1.5
259.11084	4.4
261.09030	1.6
261.12592	3.7
263.10709	2.5
271.10971	1.3
273.12622	1.9
275.10693	2.6
275.14078	2.6
277.12311	2.2
281.11673	2.1
283.24207	2.5
287.10626	2.0
295.20422	2.0
303.17358	1.9
317.15091	1.4
317.18912	1.6
331.20288	1.5
344.21313	1.6
345.18341	1.5
345.22177	2.9
345.33466	8.3
346.22681	1.7
346.33777	11.2
347.34457	22.9
361.25278	2.8
387.22864	3.7
387.27130	7.3
388.27359	1.9
397.16129	1.4
397.25189	1.8
405.24054	4.7
405.28488	2.0
415.26154	6.6
415.31378	2.3
433.15182	1.5
433.27454	74.3
433.37924	100.0
434.27515	8.7
434.39978	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2581
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.4
55.01847	6.5
55.05506	11.7
56.33033	1.4
57.03431	8.0
65.03924	2.8
67.05160	2.8
67.05499	38.7
68.51897	1.4
69.03402	4.1
69.06481	1.8
69.07056	24.2
70.06569	6.0
70.65616	1.4
71.04974	7.3
71.33003	4.3
79.05061	2.4
79.05492	39.9
81.03414	32.3
81.07053	41.9
83.04970	5.2
83.08601	6.6
84.08102	2.9
85.02895	4.5
85.06512	4.7
86.09682	2.9
88.04022	1.9
91.05471	38.1
93.07036	32.9
95.04962	23.9
95.08587	18.4
97.02866	2.4
97.06513	15.6
97.10149	5.2
98.06055	1.8
103.05446	2.3
105.07013	24.1
107.04936	14.3
107.08597	15.2
109.06499	7.1
109.10131	4.9
111.04413	3.1
111.08068	2.8
113.05985	2.0
115.05424	3.9
116.06258	2.0
117.07010	20.9
118.58897	1.5
119.04922	3.8
119.08581	19.4
121.06490	12.2
121.10131	10.4
123.04398	2.5
123.08040	6.5
123.11665	3.8
125.05939	2.5
125.09616	2.5
127.03897	2.0
128.06247	3.6
128.10719	1.5
129.06999	16.6
131.04921	4.5
131.08563	17.6
133.06482	14.7
133.10139	11.8
135.08061	7.8
135.11697	6.5
137.09596	6.1
141.06975	10.9
142.07733	2.8
143.07013	8.8
143.08517	11.1
145.06453	13.1
145.10127	7.8
147.04420	4.0
147.08076	7.4
147.11632	3.8
149.09590	8.7
149.13222	7.1
155.08521	7.0
157.06496	3.9
157.10129	7.8
159.08055	6.5
159.11690	10.3
161.06032	2.9
161.08084	2.0
161.09540	3.9
161.13232	3.7
163.03941	2.2
163.07520	3.8
163.11113	2.1
165.09105	6.4
166.07716	1.5
166.98883	1.6
167.08585	2.0
169.10089	6.8
171.08046	3.9
171.11671	8.5
173.02353	3.6
173.09602	3.4
173.13182	2.7
175.07565	3.3
175.11160	6.1
177.09142	8.5
177.12738	5.1
179.08524	2.1
180.05281	1.6
181.10075	2.5
183.08070	3.8
183.11662	7.2
185.09572	4.4
185.13219	5.2
187.11159	2.6
189.11092	1.9
189.12704	3.0
195.10091	2.6
195.11732	2.3
195.13794	2.8
197.13222	3.9
199.09578	3.3
199.11159	4.0
199.14891	2.8
201.09016	2.2
201.12691	3.8
203.10712	3.3
211.11176	3.8
215.07016	2.3
215.10643	4.4
215.14203	1.8
217.15923	3.0
219.13899	2.0
221.13321	2.2
225.12749	3.4
231.13817	2.7
239.12544	1.9
241.08635	2.8
243.13800	3.7
257.15341	4.0
259.09686	6.2
275.16376	2.4
287.05426	39.1
288.05859	4.0
295.20566	4.0
304.91910	1.6
305.18848	2.6
313.21497	8.8
317.17502	1.9
323.20065	15.2
341.21078	56.4
359.22098	6.2
379.22751	2.2
397.23651	3.3
415.24768	35.9
433.25809	100.0
434.26053	4.9
448.90305	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2581
Annotation	Triflorestevione
Peak:m/z	Relative Intensity
53.03944	0.7
55.05499	3.8
57.07050	0.8
57.47836	0.6
62.30216	0.5
65.03918	1.6
67.05493	23.3
68.24385	0.5
69.07069	3.4
69.56955	4.7
71.04976	0.6
72.04496	0.8
78.03797	0.6
79.05485	5.2
81.07047	26.8
83.08608	3.8
83.53391	0.5
85.06550	0.8
90.70262	0.5
91.05468	11.7
93.07025	6.6
95.04915	1.0
95.08594	29.2
97.06505	1.5
97.10148	3.1
98.21496	0.6
102.03767	1.1
105.06998	2.6
107.08602	4.7
109.10143	14.7
110.72565	0.5
111.08042	1.7
119.04926	22.8
119.08553	3.4
121.10125	5.6
123.11684	7.1
125.09575	0.7
131.08536	2.1
132.04791	0.7
133.10112	7.5
135.11656	6.6
137.09566	2.9
137.13249	3.2
141.09142	0.6
145.10115	1.9
147.04388	100.0
147.11667	1.2
148.04681	1.1
149.07411	1.3
149.13211	3.2
151.11163	5.4
155.10608	1.2
155.14258	0.7
159.11665	2.0
162.78210	0.6
165.05452	26.9
165.12749	0.9
169.12253	1.3
173.13223	1.1
177.12746	0.8
181.12221	0.9
187.14778	1.2
191.17941	0.8
195.13783	2.2
209.15381	0.7
215.17909	10.9
226.18016	2.1
233.18980	8.2
251.20038	20.9
252.20374	0.8
263.67960	0.6
266.92984	0.5
287.05557	1.2
303.20978	3.4
304.09592	0.7
321.85672	0.6
415.26328	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2579
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	5.2
64.92648	1.0
65.03905	2.2
66.34194	0.9
67.05492	39.1
69.07047	4.3
79.05476	9.9
81.07040	44.5
83.08600	6.5
85.06538	1.8
85.57004	1.0
91.05464	19.7
93.07024	11.6
95.04944	1.5
95.08586	45.0
97.06502	3.3
97.10146	4.2
98.98441	5.6
99.08070	1.3
105.07010	5.7
107.08582	8.9
109.06519	1.4
109.10136	24.5
111.08038	2.1
115.02863	0.9
117.07001	1.5
119.04925	26.1
119.08560	7.1
120.54087	1.0
121.10116	11.2
123.08031	1.9
123.11697	10.2
131.08539	3.7
133.10114	12.1
135.11670	11.3
137.09586	4.4
137.13194	4.4
143.08566	1.1
145.10098	3.6
147.04384	100.0
147.11664	2.9
148.04749	1.1
149.09584	1.5
149.13205	4.7
151.11153	6.8
155.10622	2.0
159.11682	3.2
163.11133	1.1
165.05441	18.2
165.12825	1.4
169.12274	1.5
173.13269	1.6
177.12732	1.1
181.12228	1.7
187.14763	1.5
195.13835	2.8
215.17911	15.9
229.06331	1.1
233.18887	9.5
251.20015	31.2
433.26352	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	433.2576
Annotation	Vibsanin L
Peak:m/z	Relative Intensity
51.02368	2.1
53.03926	6.7
53.37999	1.7
55.01853	6.5
55.05504	10.0
56.05009	1.6
57.03409	5.7
65.03917	2.8
67.05493	39.8
69.03416	4.3
69.07052	22.3
70.03179	1.6
70.06578	4.6
70.23816	7.9
71.04973	4.6
72.08137	2.6
75.04445	1.9
77.77841	1.9
79.05480	38.4
81.02964	2.9
81.03405	32.5
81.07038	32.9
81.07805	1.8
83.04952	4.9
83.08602	6.5
84.08111	2.6
85.02898	3.3
85.06509	4.1
91.05458	33.3
93.03377	1.8
93.07021	34.1
95.01333	2.1
95.04942	22.6
95.08585	16.1
97.06509	9.9
97.10159	2.8
103.05479	1.9
105.03367	2.0
105.07015	29.1
107.04943	15.1
107.08582	14.3
109.06493	6.1
109.10127	7.5
111.04388	2.5
111.08053	2.1
115.05422	3.3
117.03346	2.2
117.06985	17.7
119.04910	2.5
119.08555	17.2
121.06461	14.7
121.10132	6.9
123.04311	1.8
123.08050	4.6
125.05942	3.3
127.03848	1.6
128.06201	4.0
129.06976	13.0
131.04915	4.8
131.08522	20.6
133.06483	12.1
133.10130	10.1
135.04361	3.7
135.08038	7.2
135.11670	4.8
137.09576	6.9
141.06947	5.6
143.06990	6.4
143.08551	11.5
145.02856	2.0
145.06477	11.7
145.10114	8.9
147.08067	9.7
147.11693	2.9
149.09579	6.7
149.13245	7.1
151.07462	2.1
155.08557	5.8
157.06412	2.5
157.10083	8.3
159.08025	6.6
159.11662	8.6
161.05948	4.0
161.09566	4.3
163.03906	5.1
163.07510	2.8
165.09116	7.5
167.08583	3.9
169.10089	5.7
171.07997	3.2
171.11690	8.9
173.09630	3.9
173.13139	3.1
175.07516	3.0
175.11201	5.9
177.09081	7.2
177.12721	4.1
181.10156	2.0
183.08051	2.8
183.11691	5.1
185.09602	3.4
185.13240	4.2
187.11227	2.0
195.11726	2.9
195.13770	2.9
197.09557	2.3
197.13251	3.7
199.09552	2.5
199.11162	2.6
199.14667	2.4
201.12779	3.5
203.10577	5.7
211.11240	3.7
213.12701	2.9
215.14270	3.5
217.12357	3.4
217.15927	2.8
221.13358	3.4
225.12744	4.1
241.08563	14.1
243.13831	2.4
251.16409	1.9
257.15228	3.2
287.05386	2.7
295.20551	5.9
313.21490	9.1
317.42294	2.0
323.20016	15.5
341.21045	50.0
342.21408	2.4
349.20319	1.9
359.22070	9.2
397.23904	3.5
415.24780	44.4
433.25806	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2343
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.6
55.01848	1.1
55.05497	9.7
57.03429	8.9
57.07048	2.9
57.83148	1.1
60.05214	0.9
65.03919	1.9
65.09358	0.9
67.05493	40.9
68.45602	1.0
69.06706	1.2
69.07060	10.9
69.96524	5.9
71.04976	1.4
71.08643	1.1
79.05477	24.7
81.07038	50.9
83.04998	1.3
83.08589	4.2
85.06531	1.9
91.05460	12.0
93.06466	1.9
93.07028	33.1
93.28541	1.0
95.04955	2.4
95.08588	41.4
96.27955	1.0
97.06507	1.9
97.10126	2.8
98.98449	63.1
105.07007	11.3
107.08568	20.4
109.06501	1.7
109.10133	19.3
111.08047	1.4
111.11671	0.9
112.01397	0.9
113.09638	0.9
116.99453	1.7
117.06988	5.5
119.08558	10.7
121.10115	19.5
123.08041	1.3
123.11684	7.0
131.08543	9.1
133.10048	7.5
134.61311	0.9
135.11664	14.1
137.09587	1.4
137.13214	2.9
145.10104	5.3
147.11678	5.6
149.13235	9.1
151.14841	1.1
155.01025	9.4
155.75891	0.9
158.52309	0.9
159.11687	8.0
161.13210	3.9
163.11249	1.4
163.14806	6.8
167.14212	1.0
173.02075	11.0
173.13277	6.5
175.14769	1.7
177.16396	2.0
187.14758	4.3
233.22603	2.4
243.21016	15.0
246.22121	1.8
261.22089	45.0
262.22366	1.8
279.22906	1.3
287.05402	4.2
291.88229	1.0
314.84238	1.0
316.06934	1.2
317.24780	7.1
318.30673	1.3
335.25732	100.0
336.26169	5.5
415.22318	3.0
433.22916	1.4
433.33093	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	433.2343
Annotation	PA(18:3(9Z,12Z,15Z)/0:0)
Peak:m/z	Relative Intensity
51.41297	1.2
53.03917	1.6
55.05496	11.1
57.03430	7.7
57.07056	1.5
61.00553	1.3
65.03912	1.8
67.05494	46.7
69.07052	10.0
70.57610	3.8
71.08608	1.2
75.04468	1.9
79.05054	2.3
79.05480	34.2
81.06566	2.7
81.07038	49.4
83.08600	6.9
85.06544	1.6
91.05465	15.6
93.07029	42.0
95.04953	2.2
95.08588	37.2
97.06512	2.2
97.10123	2.8
98.98447	100.0
105.07020	15.0
107.07854	2.3
107.08568	30.2
109.06452	1.8
109.10139	19.1
116.99492	3.6
117.07007	7.3
119.08562	14.4
121.10124	22.1
123.11689	9.9
131.08553	11.3
133.10136	11.0
135.08025	1.6
135.11671	16.7
137.09650	1.7
137.13272	3.4
140.99460	1.4
144.08040	4.4
145.10095	9.8
147.11647	6.7
149.13231	15.9
151.11139	1.5
155.01024	27.0
159.11702	10.8
161.13182	6.5
163.11136	1.6
163.14796	10.8
165.12680	2.0
173.02069	15.9
173.11896	1.2
173.13200	8.1
175.14742	4.5
175.18921	1.2
177.16306	3.2
187.14815	4.5
201.16263	1.8
233.22679	6.6
243.21054	21.2
261.22101	79.3
262.22372	2.3
317.24738	8.0
335.25720	55.7
336.26077	1.9
415.22345	13.4
433.23624	2.8
433.32611	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2065
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	1.1
53.03931	4.7
53.14660	1.0
55.01862	6.9
55.05494	11.6
57.03405	2.2
59.04977	1.4
59.65245	1.1
62.73584	1.0
65.03934	1.7
67.05491	17.9
69.03419	6.2
69.07054	15.4
69.65530	5.4
69.65950	2.5
70.06590	6.4
71.04984	6.2
71.96904	1.3
72.08120	1.8
79.05475	23.8
81.03399	22.1
81.07043	43.4
83.04961	13.8
83.08591	7.1
83.67744	1.0
84.08121	3.8
85.02898	4.7
85.06511	5.4
86.09703	4.7
91.04954	1.5
91.05473	16.8
93.07026	50.0
93.07619	2.5
95.04951	19.0
95.08596	15.7
97.02891	1.1
97.06516	27.3
99.04447	12.6
101.05983	1.4
105.01852	1.4
105.07012	43.2
107.04933	4.1
107.07851	2.3
107.08578	40.2
109.02871	11.4
109.06499	27.1
109.10142	15.8
111.08051	11.9
113.05974	2.5
115.07570	5.0
117.07003	4.1
119.04903	1.9
119.08566	32.2
120.08089	3.0
121.06485	42.8
121.10130	14.0
122.06750	1.2
123.04408	1.5
123.08044	15.5
123.11686	15.8
125.05971	12.8
127.03909	3.4
127.07530	14.0
128.06207	1.9
128.77803	1.0
129.06964	3.4
129.09108	1.4
131.08572	8.9
133.06451	3.5
133.10109	14.2
135.04350	2.4
135.08032	12.5
135.11658	2.9
136.00131	1.2
137.05956	6.0
137.09578	3.7
137.13248	2.6
137.36043	1.3
139.07512	29.9
141.05411	2.2
141.07080	1.3
142.07774	5.0
143.06995	9.9
143.08517	6.7
145.04965	1.9
145.06512	1.0
145.10104	9.1
147.08005	4.4
147.11662	100.0
148.11975	4.0
149.13228	14.2
151.07541	1.5
153.09052	2.3
155.07059	1.3
156.09343	2.9
157.06491	1.5
157.08589	9.2
157.10089	15.8
159.09177	1.3
161.05849	1.8
161.09602	2.9
161.13237	9.3
163.07533	1.4
163.11150	1.9
163.14809	3.4
165.12729	84.5
166.07704	1.2
166.12982	1.2
169.08640	1.3
171.11659	13.1
173.09544	4.9
173.13222	3.2
175.11148	26.9
179.14304	2.1
181.10083	3.0
183.13773	9.4
185.11435	1.4
187.05942	1.9
189.12704	22.4
191.10645	2.2
191.14272	6.4
193.12210	52.7
199.11147	15.1
207.13759	16.9
209.11890	1.3
209.15323	13.3
210.95561	1.1
211.13242	6.3
213.13515	1.2
217.12204	49.9
218.12573	1.6
225.14699	1.1
227.16321	2.1
229.14313	38.3
235.13254	67.3
236.13586	2.7
238.32387	1.0
241.08530	1.9
253.14305	86.2
254.14650	2.8
271.15356	3.5
287.05386	5.1
301.34525	1.1
347.16629	1.7
371.20544	2.6
379.17465	3.1
389.17624	4.6
397.18555	16.5
415.19553	18.5
433.16931	6.0
456.49622	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2065
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	9.4
55.01858	4.4
55.05506	6.5
56.05024	2.3
57.03437	6.9
57.07073	1.7
59.53863	0.9
60.48917	1.0
61.02905	2.8
67.05495	9.6
68.99792	1.1
69.03421	7.6
69.06707	1.5
69.07059	14.9
70.06583	9.4
70.80373	2.3
70.80714	1.3
71.04986	15.4
72.08142	12.8
73.02897	1.1
74.06063	1.4
79.05479	9.0
81.03408	62.1
81.07047	27.2
82.03749	1.2
83.04969	10.2
83.08615	3.3
84.04490	5.5
84.08133	5.9
85.02884	12.2
85.06523	5.1
86.09694	15.6
91.05461	7.1
93.07032	30.7
95.04955	11.2
95.08601	13.9
95.09167	1.7
97.02898	1.3
97.06532	12.7
98.06063	1.1
99.04443	63.1
101.05990	1.4
102.05517	3.4
103.05447	14.7
104.05339	1.1
105.01846	1.1
105.07012	20.3
107.04963	2.4
107.08578	13.4
109.02865	52.2
109.06492	5.3
109.10124	4.7
111.04435	2.4
111.08067	38.5
112.08400	1.7
113.05987	2.5
116.07076	1.6
117.07041	1.1
119.08580	7.9
120.08086	2.8
121.02866	2.4
121.06503	6.7
121.10150	4.1
123.08071	2.4
123.11697	20.8
125.05991	5.5
127.03909	17.3
127.07585	1.3
128.73795	1.1
129.10185	2.5
130.04999	1.5
131.04913	21.5
131.08533	2.5
133.06476	1.3
133.10101	12.7
135.08047	5.0
135.11649	1.0
136.07538	1.4
137.06013	1.6
138.09163	1.8
139.07480	5.5
141.05487	1.3
143.07048	4.5
143.08577	1.6
145.04939	7.5
145.10091	2.6
146.05995	4.7
147.04419	1.3
147.07841	1.2
147.11673	18.6
149.09583	1.4
149.13258	2.5
151.11168	14.3
153.01808	3.4
153.09143	1.9
156.10190	1.8
157.08640	2.4
157.10127	4.8
159.07996	1.4
159.09210	3.6
161.05975	2.2
161.13214	1.2
163.06148	1.3
163.07518	7.1
163.11154	2.5
165.01842	1.1
165.12746	6.3
169.08586	1.6
169.12213	61.0
170.12552	2.2
171.11546	1.7
173.09546	1.2
175.11147	10.0
183.11313	3.2
187.05965	3.4
188.07051	13.6
189.08839	1.3
189.12764	4.1
191.10605	2.5
193.12201	15.1
196.94835	1.0
197.29176	1.0
199.11192	2.8
201.12228	4.9
203.06973	1.3
205.07053	100.0
205.09694	7.7
206.07336	1.6
207.13803	4.2
211.13264	61.2
212.13448	2.4
217.12175	9.2
227.12801	2.9
229.12015	2.1
229.14293	34.3
235.13289	10.8
245.10168	1.4
253.14307	10.9
257.04599	1.7
258.05383	1.5
261.04932	1.2
263.14081	1.9
271.06207	1.1
271.15582	1.7
287.05453	91.0
288.05746	7.8
383.08130	1.7
397.18640	4.4
415.19583	11.8
433.10626	1.3
433.20718	6.1
434.21088	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1333
Annotation	Tachiogroside B
Peak:m/z	Relative Intensity
51.51952	0.1
53.03937	0.6
55.97018	0.1
60.04524	0.2
61.02903	0.3
69.03414	1.9
70.06577	0.6
70.87956	0.4
71.04979	0.5
72.08144	0.2
73.02905	0.3
74.06075	0.2
81.03403	2.7
84.08119	0.3
85.02889	5.8
86.09687	1.0
87.05579	0.3
90.72318	0.1
97.02872	3.7
99.04440	4.2
103.03927	4.3
109.02860	2.4
115.03946	0.2
127.03893	100.0
128.04253	0.8
145.04933	4.0
163.05931	0.8
173.12830	0.3
174.13062	0.2
187.06004	1.0
201.12259	0.2
205.06970	0.2
215.13756	0.2
232.12752	0.2
271.08072	0.5
289.09116	0.2
336.56113	0.1
350.68686	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	433.2063
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	4.2
54.08549	2.2
55.01847	5.4
55.05495	14.0
57.03419	6.5
59.04983	2.8
59.32665	2.3
61.02916	3.7
67.05489	23.4
69.03406	8.3
69.07047	11.3
70.06573	8.4
70.74776	6.0
70.75093	3.2
71.04988	15.6
72.08147	3.5
79.05479	31.4
81.03403	31.1
81.07041	53.9
83.04951	20.1
83.08615	5.8
84.04460	4.0
84.08128	6.6
84.22290	2.4
85.02884	9.2
85.06528	6.7
86.09695	6.6
91.05463	53.3
93.06459	4.0
93.07027	58.1
95.04967	13.9
95.08583	33.6
97.02881	5.5
97.06528	26.8
99.04434	32.4
105.07005	54.9
107.04925	10.4
107.08576	31.9
109.02862	20.6
109.06509	26.8
109.10130	10.5
111.08067	7.0
113.05981	5.1
117.07015	5.7
119.04894	3.1
119.08554	32.0
120.08048	5.1
121.06487	58.7
121.10125	7.3
123.04409	5.7
123.08047	7.5
123.11734	3.4
125.05974	7.2
127.03899	10.4
127.07513	9.7
128.06238	3.6
129.06905	8.4
129.10219	3.2
130.85820	3.1
131.08559	8.0
133.06462	4.8
133.10094	31.5
135.04376	5.1
135.08055	19.3
135.11649	5.3
137.05945	6.1
139.07510	15.1
141.05554	3.0
142.07729	5.9
143.07007	4.1
143.08521	9.8
145.06491	3.5
145.09024	2.8
145.10068	12.0
147.08014	7.7
147.11662	55.1
149.09604	3.5
149.13226	2.9
151.11140	5.2
153.09050	3.2
156.09335	4.7
157.06512	2.9
157.10092	18.3
159.11665	4.3
161.09602	10.3
161.13249	8.4
163.11099	4.2
165.12698	16.4
167.10637	5.0
169.08577	5.6
171.11653	24.8
173.09625	7.6
173.13231	3.2
175.11148	38.4
179.10616	5.6
185.11734	17.4
187.04416	3.1
187.06021	10.0
187.11136	3.6
189.12709	29.3
191.14323	2.7
193.12221	40.9
199.11140	21.8
205.07033	56.6
207.13815	16.5
209.15364	4.7
211.13275	18.0
217.12187	75.7
235.13266	96.4
236.13303	3.5
253.14320	100.0
254.14661	4.8
271.05927	5.1
271.15219	2.9
287.05469	44.6
288.05670	3.9
303.55432	2.7
360.88666	2.5
379.17419	4.7
389.35294	2.7
397.18597	18.4
415.19363	20.7
433.23633	12.8
434.21368	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1124
Annotation	Genistein 8-C-glucoside
Peak:m/z	Relative Intensity
53.03935	1.2
55.01859	1.7
55.05485	2.8
56.05008	2.4
57.03419	1.9
61.01137	0.7
61.02901	1.0
62.94393	0.8
67.05478	3.0
68.99773	1.3
69.03416	4.7
69.07053	4.0
70.06578	9.6
71.04967	1.9
71.57494	1.0
72.08138	4.4
73.02900	0.9
74.06042	1.6
79.01830	1.5
79.05474	3.5
80.44679	0.7
81.03410	5.3
81.07034	4.8
83.04961	2.1
83.08572	1.4
84.04473	1.9
84.08133	13.8
85.02486	0.8
85.02892	8.4
86.09692	9.0
87.00776	1.1
91.05464	2.3
93.07022	5.2
95.04935	1.5
95.08581	3.2
97.02861	3.5
97.06488	2.6
98.97606	1.2
99.04422	3.8
102.55497	0.8
103.03926	1.4
104.05312	2.8
105.07018	7.9
107.04939	1.9
107.08576	2.5
109.02848	4.0
109.06468	2.3
109.10132	2.1
110.07138	1.1
111.08054	3.0
113.05915	0.8
115.03884	1.8
116.07067	0.9
119.04906	3.3
119.08559	2.5
120.08068	3.5
121.02833	13.7
121.06464	3.2
121.10145	1.0
123.08031	0.9
123.11632	1.2
125.05988	1.7
127.03912	6.6
129.10197	4.7
130.06479	0.8
130.08589	0.8
132.10078	0.9
133.04915	1.4
133.06461	1.0
133.10127	1.8
135.08040	1.1
136.07593	1.2
139.07498	1.7
141.01817	1.6
145.02817	3.3
145.04898	1.4
145.10109	1.4
147.11688	5.3
149.02315	1.0
149.13214	0.8
153.01732	1.3
163.03886	1.9
163.05948	0.9
163.14862	0.9
165.01801	9.5
165.05508	0.7
165.12703	2.4
167.03377	2.3
167.10620	1.0
167.14246	1.4
169.12279	2.7
171.07968	1.0
175.11148	2.4
177.01926	1.2
181.04893	1.9
183.02916	5.0
185.11656	1.6
185.15295	1.3
187.03787	1.1
189.12657	1.9
191.03391	1.1
193.12228	2.8
195.02858	2.3
199.11169	0.9
201.05374	0.9
205.05025	1.4
205.07004	1.9
211.07639	1.1
211.13229	4.6
213.05415	2.1
215.03439	0.9
217.04974	1.4
217.12082	4.8
227.06949	1.3
227.16510	1.7
229.05002	0.9
229.14284	2.3
231.16882	1.0
235.13211	5.9
237.03014	0.9
239.06920	0.9
243.06528	1.5
245.12939	1.1
253.14281	6.7
255.06406	1.6
256.07266	4.4
260.19455	0.8
261.03870	2.6
267.06525	5.5
270.05151	3.0
271.05994	4.4
271.15399	1.4
281.07996	6.0
283.05960	100.0
284.06702	21.0
285.07535	1.5
287.05466	7.4
293.07965	1.0
295.06042	13.5
295.09390	1.5
297.07440	9.0
303.04898	7.7
304.05524	1.1
305.07974	2.4
307.06015	2.4
308.06714	3.5
309.04044	1.3
309.07452	17.6
310.07721	1.3
311.05347	2.3
313.07001	80.7
314.07199	3.7
319.10388	1.6
321.07559	2.6
323.05533	1.3
323.09073	17.1
325.06976	1.5
333.07501	2.8
335.05026	0.9
337.06992	36.6
343.07956	2.9
349.07059	8.7
351.08670	4.2
355.87515	0.9
361.07104	8.5
361.11349	1.6
367.08099	25.4
368.08429	1.0
379.08081	18.8
380.08383	1.2
397.09097	28.2
397.30527	2.6
415.10144	28.9
415.18683	1.1
416.10190	1.5
433.11157	56.0
433.32629	1.3
434.11459	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	432.3831
Annotation	Unknow
Peak:m/z	Relative Intensity
68.01527	0.2
69.70567	1.6
87.04457	10.8
94.06552	0.3
98.20796	0.4
102.95730	0.2
107.07323	7.8
109.72491	0.2
112.99973	0.4
120.08082	3.4
121.08820	0.9
134.09634	2.7
148.11235	0.3
162.12727	0.5
169.02638	0.4
176.14308	0.5
190.15837	0.8
193.11015	0.5
204.17445	0.3
206.19037	0.4
218.13809	0.2
218.18980	1.2
220.13310	0.2
221.39569	0.2
234.22241	0.3
260.23721	0.3
346.34628	49.0
347.34918	2.0
432.38290	100.0
433.38635	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	432.3833
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07029	0.1
52.22411	0.2
55.01865	0.3
55.05499	0.3
61.00463	0.2
69.07069	0.9
71.13544	0.5
73.02906	0.7
73.06553	0.6
77.99738	0.2
87.04451	0.9
93.05760	0.2
94.06586	0.2
107.07326	5.4
118.06533	0.2
120.08089	2.5
121.08863	0.7
134.09634	2.3
134.10629	0.2
146.09691	0.4
147.10098	0.2
148.11238	0.4
162.12743	0.5
176.14328	0.8
189.03645	0.2
190.12270	0.2
190.15913	0.7
204.17589	0.2
206.19038	0.6
209.23993	0.2
218.19034	0.6
221.14082	0.6
232.20641	0.3
234.14915	0.6
242.51721	0.2
248.16417	0.9
258.16046	0.2
262.18146	0.2
276.19669	0.2
304.22888	0.2
318.31506	26.8
319.31860	1.5
332.85858	0.2
344.33066	0.8
345.33249	0.3
346.34555	4.5
386.37787	0.2
421.56613	0.2
432.38232	100.0
433.38638	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	432.3833
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07029	0.1
52.22411	0.2
55.01865	0.3
55.05499	0.3
61.00463	0.2
69.07069	0.9
71.13544	0.5
73.02906	0.7
73.06553	0.6
77.99738	0.2
87.04451	0.9
93.05760	0.2
94.06586	0.2
107.07326	5.4
118.06533	0.2
120.08089	2.5
121.08863	0.7
134.09634	2.3
134.10629	0.2
146.09691	0.4
147.10098	0.2
148.11238	0.4
162.12743	0.5
176.14328	0.8
189.03645	0.2
190.12270	0.2
190.15913	0.7
204.17589	0.2
206.19038	0.6
209.23993	0.2
218.19034	0.6
221.14082	0.6
232.20641	0.3
234.14915	0.6
242.51721	0.2
248.16417	0.9
258.16046	0.2
262.18146	0.2
276.19669	0.2
304.22888	0.2
318.31506	26.8
319.31860	1.5
332.85858	0.2
344.33066	0.8
345.33249	0.3
346.34555	4.5
386.37787	0.2
421.56613	0.2
432.38232	100.0
433.38638	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	432.3831
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07017	0.3
57.10773	0.2
60.75414	0.2
67.05455	0.3
69.07018	0.3
69.96835	0.6
69.97225	0.7
70.06510	0.2
78.57661	0.2
79.05414	0.4
81.06993	0.3
87.04453	14.6
88.04755	0.5
91.05389	0.4
93.06989	0.3
95.08521	0.4
97.10091	0.3
98.21352	0.4
98.98375	0.3
105.06945	0.3
106.05856	0.2
106.06538	2.1
107.07320	2.5
118.06448	0.3
120.08084	5.2
121.08789	0.6
134.09618	1.4
144.07977	0.5
146.09549	0.4
148.11084	0.3
162.12640	0.7
176.14276	0.6
190.15770	0.4
197.01997	0.3
204.10049	0.3
205.18262	0.3
218.18993	2.5
219.19475	0.3
220.20470	0.3
232.20537	1.1
234.07452	0.5
234.22162	0.2
246.22212	0.6
248.23581	0.7
260.23584	1.4
262.10635	0.4
287.05435	0.6
288.26556	0.3
316.29944	0.5
342.31522	0.6
344.33212	0.4
346.34613	70.5
347.34985	3.9
386.30362	0.5
432.31427	6.3
432.38327	100.0
433.31589	0.5
433.38663	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	432.2448
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26854	0.4
53.03927	1.0
55.01852	0.6
55.05490	2.8
56.05009	1.4
58.56567	0.5
60.04205	0.8
60.04515	14.9
62.68406	0.4
66.33726	0.5
69.03407	2.4
69.33088	4.3
70.02939	4.6
70.06586	4.5
72.04485	1.0
72.08144	21.1
73.08466	0.6
81.03415	3.3
82.06559	0.9
83.04973	1.1
84.04485	1.6
84.08131	4.5
85.02897	6.2
85.04006	1.4
86.09692	45.6
87.05576	39.0
87.10010	0.7
88.03980	1.6
96.08110	0.6
97.02876	4.5
98.02381	2.5
98.06013	0.5
98.37209	0.5
99.04437	3.9
99.09219	2.6
102.05511	0.9
103.03933	4.7
104.05282	0.8
107.04948	1.4
109.02856	3.1
110.02385	3.7
110.07152	0.8
114.09179	0.6
115.05029	2.1
118.08640	3.2
119.46812	0.5
120.08100	2.3
126.09145	0.8
127.03896	100.0
127.08662	10.5
128.10690	6.5
129.06581	1.2
129.10205	3.9
130.06567	0.7
132.10210	0.7
133.06099	0.9
136.06195	0.6
141.10188	2.8
143.11746	0.7
145.04883	4.5
146.80405	0.4
150.09137	3.7
152.07045	19.1
153.12692	0.5
155.08112	1.1
156.07642	0.7
157.06131	0.9
159.11302	1.5
169.09689	1.7
173.09222	9.1
173.12830	52.9
174.08734	1.0
174.13272	0.6
179.03395	1.7
183.11250	1.0
184.07216	1.3
186.12338	5.9
187.06053	0.6
187.10762	1.9
197.09236	0.9
198.05771	0.7
198.07581	14.2
198.09299	0.8
201.12325	17.3
202.08234	2.4
214.11873	4.1
215.10246	18.4
224.10274	0.8
228.13521	1.0
229.11725	0.5
231.17044	1.3
232.12886	51.2
235.10696	0.8
255.14476	0.9
261.60760	0.6
283.14078	1.9
287.05441	0.9
287.17123	1.1
301.15118	2.2
315.16559	8.3
316.14893	11.7
333.17853	0.6
345.21274	0.7
386.23914	0.9
387.22290	1.5
414.23694	2.2
415.21866	1.2
432.14941	0.7
432.20029	1.4
432.25043	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	431.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	0.4
55.01858	0.4
55.05493	0.5
56.05018	1.2
60.04516	0.4
67.05491	0.4
69.03403	0.5
69.07047	2.3
69.67532	2.7
70.06577	8.2
71.04990	0.4
71.06918	0.6
72.08138	5.1
74.06075	0.5
76.71672	0.3
79.05468	0.4
81.03377	0.6
81.07059	0.5
83.06087	0.5
84.04487	15.3
84.08135	2.6
85.02880	1.3
86.09688	100.0
87.04443	0.4
87.10014	1.4
88.03979	1.4
89.05973	0.4
91.05445	0.7
93.07029	0.6
95.04943	0.4
95.08593	0.5
96.04462	0.9
98.97560	0.3
102.05520	8.9
105.01844	0.4
107.04889	0.3
110.07164	0.5
113.07095	0.8
114.05582	0.4
116.07053	1.0
119.08562	0.4
120.08083	0.6
121.06483	0.4
124.11286	0.4
129.06583	2.2
129.10207	1.6
130.06508	0.4
131.08530	0.3
132.08136	0.3
132.10202	0.7
137.09639	0.4
141.06520	2.1
141.10181	0.8
143.11798	0.6
145.10097	0.4
147.04422	0.6
152.10727	1.2
156.10210	1.3
157.13316	0.6
159.09193	0.4
163.11226	0.3
170.06030	0.6
170.11688	2.6
171.11282	0.6
174.05559	0.3
181.09680	0.5
185.12987	0.6
185.16458	0.9
188.07048	0.8
189.12308	22.2
190.12613	0.4
197.12828	6.5
199.18047	1.2
201.12296	5.9
203.13861	3.9
205.09561	0.4
213.15942	1.0
215.13867	21.9
216.14279	0.6
225.12311	3.2
227.17494	0.7
229.11795	4.0
243.13359	18.8
245.11183	0.4
247.05992	0.4
251.16470	0.4
261.14532	0.5
265.62033	0.3
269.13840	0.4
296.19601	0.4
300.15350	0.7
302.20798	0.4
310.21249	2.1
338.20654	3.6
339.21259	0.4
356.21686	2.1
358.24222	0.3
431.13278	1.4
431.18497	0.8
431.24774	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1542
Annotation	Polygalatenoside C
Peak:m/z	Relative Intensity
56.54166	0.7
57.35328	0.7
58.98360	0.6
62.34335	0.6
69.03403	1.9
69.07046	1.6
69.74396	3.6
69.74812	1.0
70.06563	2.4
72.08130	2.3
75.79054	0.6
81.03387	1.1
84.08114	1.4
85.02898	4.0
86.09699	4.1
91.05447	1.5
93.07065	0.8
97.02831	0.8
99.04484	0.8
105.07054	1.0
109.54166	0.7
115.05457	1.2
117.07001	2.7
119.08563	1.5
121.06467	0.8
121.10114	0.7
128.06206	1.1
129.06979	2.5
131.08556	1.1
143.11786	0.9
144.05670	0.7
145.04842	0.7
145.06493	4.9
147.04388	6.3
147.08034	3.9
149.09592	1.1
151.07376	0.6
157.06461	1.5
159.07990	3.2
161.05968	1.6
162.06694	1.6
163.03856	1.2
173.05959	5.9
175.07539	4.5
177.09091	2.7
185.05879	1.3
187.07504	4.3
189.05347	1.0
190.06201	5.8
191.06927	1.9
193.08563	0.7
201.05463	1.6
201.56808	0.7
202.02423	0.6
202.23732	0.6
204.07681	0.7
205.08568	35.1
206.08806	0.9
215.06953	1.2
219.06482	7.4
233.08043	72.4
234.08424	3.2
251.09106	100.0
252.09433	4.0
261.14316	1.4
269.10120	3.7
333.47171	0.7
439.82922	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.4038
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04982	0.3
69.07039	0.3
70.15084	0.6
70.15499	0.9
73.06555	0.3
84.94419	0.3
87.04457	3.8
97.62151	0.2
106.71795	0.2
107.07329	0.4
118.06534	10.8
120.08057	0.6
130.06604	0.3
131.07327	0.8
132.08084	5.2
133.08893	1.6
144.08067	0.6
146.09631	12.4
147.10233	0.4
160.11234	1.8
162.09125	9.0
174.12790	1.0
176.10683	4.4
177.11412	0.8
188.14378	1.0
190.12247	9.5
190.15977	0.4
191.12572	0.3
202.15887	1.0
204.10112	0.3
204.13817	2.5
216.17508	0.7
218.11775	0.6
218.15379	0.5
218.19058	0.7
230.19032	0.8
232.13332	0.8
232.16963	0.8
232.20605	0.4
236.50511	0.3
244.20589	1.0
246.14929	0.6
246.18497	0.8
246.22191	1.1
258.22192	0.7
260.16571	0.5
260.20148	0.7
272.23749	0.7
274.21741	0.5
274.25006	0.3
286.25378	0.5
288.23157	0.4
288.26645	0.3
290.24780	0.3
302.24698	0.8
316.26379	0.5
316.29892	6.6
330.27863	0.5
330.31482	7.5
331.31583	0.4
344.33087	16.2
345.33508	0.6
386.32880	0.5
386.37787	9.3
387.37860	0.5
412.39224	0.5
430.36108	39.4
430.40393	100.0
431.36597	2.9
431.40805	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	430.3673
Annotation	Unknow
Peak:m/z	Relative Intensity
56.53959	0.2
60.02509	0.2
62.31852	0.2
69.75008	1.0
69.75441	0.6
77.03004	0.2
78.73474	0.2
87.04453	12.5
94.06525	0.2
107.07275	0.6
113.00008	0.3
118.06526	5.9
119.07332	0.4
120.08057	0.4
130.06497	0.2
132.07170	0.3
132.08073	4.7
133.08791	0.9
146.08470	0.4
146.09624	8.9
147.09843	0.3
160.11188	1.5
169.02602	0.3
174.12740	0.5
188.14322	0.5
190.15889	0.4
202.15845	0.7
204.10071	0.5
216.17459	1.0
218.11974	0.4
218.18980	0.5
219.22409	0.2
230.19044	0.4
231.19232	0.2
232.13290	1.0
244.20566	0.9
246.22104	0.4
256.26218	0.3
258.22040	0.3
265.07056	0.2
329.06400	0.3
344.33066	45.1
345.33362	3.5
430.36743	100.0
431.37085	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	430.4038
Annotation	Unknow
Peak:m/z	Relative Intensity
61.52570	0.4
69.07065	0.7
70.02364	0.4
70.23003	0.7
70.23421	1.1
86.80084	0.3
87.04460	6.4
94.06499	0.3
96.61417	0.3
106.06561	0.3
107.07307	0.5
118.06530	11.4
120.08057	0.4
129.07040	0.3
130.06485	1.0
131.07277	0.7
132.08080	6.4
133.08878	2.0
138.11957	0.4
140.08057	0.4
144.08032	0.8
146.09633	14.5
147.32657	0.4
160.11217	2.1
162.09122	7.0
164.10776	0.4
174.09050	0.5
174.12810	0.8
176.10699	7.4
177.11403	0.9
187.21989	0.4
188.14371	0.8
190.12228	11.0
202.15910	1.5
204.13759	2.2
216.17474	1.0
218.11740	0.5
218.15340	0.9
218.18996	0.8
230.19023	0.7
232.13286	1.2
232.16797	0.6
232.20653	0.5
234.77963	0.4
244.20642	0.7
246.18556	1.0
246.22159	0.7
258.22205	0.7
259.05209	0.3
260.16278	0.5
260.20190	0.6
260.23721	0.6
272.23691	0.6
286.25247	0.4
288.23193	0.6
290.24597	0.4
302.24741	0.5
316.26578	0.8
316.29932	13.6
316.33667	0.7
317.30176	1.0
330.27875	0.5
330.31396	1.1
344.33084	22.5
345.33438	2.1
386.37750	10.4
386.42654	0.7
387.38089	0.8
430.36200	55.6
430.40390	100.0
431.36810	6.8
431.41022	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	430.367
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05466	0.2
61.60348	0.2
62.42226	0.2
69.44400	0.3
69.44815	1.9
74.83333	0.2
87.04453	12.3
87.31936	0.2
93.05721	0.3
97.44183	0.2
101.55428	0.2
107.07318	0.4
118.06511	6.0
120.08064	0.3
126.64529	0.2
131.07263	0.4
132.07155	0.4
132.08063	4.3
133.08862	1.1
134.09593	0.4
134.75441	0.3
142.99150	0.2
144.08040	0.3
146.09616	9.1
147.10016	0.2
160.11206	1.2
174.12698	0.5
188.14340	0.8
202.15839	0.9
204.10190	0.4
216.17461	0.7
218.11763	0.7
218.19012	0.7
230.19009	0.5
232.13298	1.1
232.20490	0.3
244.20444	0.6
246.22026	1.1
258.22076	0.5
272.23633	0.2
344.33054	48.4
345.33344	2.6
430.36722	100.0
431.37057	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	430.3675
Annotation	Ningpeisine
Peak:m/z	Relative Intensity
53.32016	0.2
69.55405	1.7
69.55752	0.3
81.90616	0.2
82.14129	0.2
87.04461	11.6
98.20697	0.2
107.07326	0.5
108.73022	0.2
110.04343	0.2
110.71552	0.2
112.99963	0.3
118.05695	0.4
118.06526	7.8
119.07219	0.2
122.98489	0.2
125.62052	0.2
130.06476	0.5
131.07277	0.3
132.07175	0.3
132.08075	3.7
133.08829	0.9
136.89479	0.2
144.08083	0.3
146.09636	8.2
157.31165	0.2
159.67284	0.2
160.11191	1.6
174.12791	0.5
188.14294	0.5
190.15961	0.2
202.15889	1.0
204.10172	0.9
211.74835	0.2
216.17389	0.6
218.11725	0.6
218.19066	0.4
230.19104	0.4
232.13283	0.9
244.20592	0.4
246.22179	0.7
258.21994	0.2
272.23593	0.3
327.39490	0.2
344.33075	44.8
345.33334	3.6
355.14838	0.2
430.36749	100.0
431.37067	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	430.2792
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	7.9
55.01857	15.4
55.05497	15.7
57.03414	6.4
67.05490	32.8
69.03412	29.9
69.07049	4.9
71.04968	12.3
71.57082	3.0
71.57482	3.3
72.08147	3.3
73.02900	8.5
79.05476	56.6
81.03403	44.6
81.07037	37.7
83.04974	3.9
83.08597	4.9
85.02881	10.7
91.05458	17.0
93.07025	48.7
95.04951	3.4
95.08584	28.1
97.02347	3.9
97.02879	38.3
99.04432	61.7
101.02337	3.1
105.07004	9.7
107.08556	12.7
109.02864	36.3
109.10131	11.8
111.04401	4.3
111.37167	2.8
117.07022	4.2
119.08546	11.7
121.10117	34.4
123.11665	6.2
127.03899	100.0
131.08546	9.1
133.10046	13.6
133.26985	3.0
135.11670	15.1
145.04926	20.9
145.10066	10.8
147.11588	7.3
149.13229	5.3
159.11647	10.8
163.11082	4.2
173.13132	3.5
181.10345	3.4
208.24107	2.9
215.17928	16.4
231.17369	3.6
233.18944	18.0
249.18411	7.3
251.19997	6.5
263.48575	2.8
302.28281	5.3
329.20929	4.3
370.25027	2.8
373.38364	2.7
377.23074	9.1
395.24146	40.7
449.31424	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	430.2794
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	14.3
55.01850	8.0
55.05502	28.3
57.03421	10.9
57.07066	3.6
64.34322	3.0
65.03931	2.5
67.05492	66.2
69.03422	49.7
69.07059	16.4
70.42161	4.6
70.42539	4.0
71.04975	10.3
73.02876	2.7
76.26109	2.5
79.05484	92.4
81.03407	88.2
81.03822	2.7
81.07047	66.4
83.04971	8.8
83.08594	12.6
85.02901	38.2
86.68937	2.8
91.04948	4.5
91.05465	45.8
93.07030	100.0
95.04947	21.4
95.08589	50.6
95.09157	4.5
97.02875	42.2
97.06521	10.6
98.06044	3.4
99.04452	11.0
99.08086	9.5
100.35072	3.1
103.03909	4.6
105.07008	38.9
107.04942	7.1
107.08570	32.3
108.04469	7.6
109.02874	31.2
109.06494	9.9
109.10128	27.9
111.04421	7.8
111.08061	4.2
113.09637	3.3
117.07006	22.4
119.08555	39.4
120.07957	2.6
121.06454	5.6
121.10117	60.2
122.10484	2.9
123.04483	3.2
123.08015	3.6
123.11716	7.6
125.09647	4.9
127.03906	21.0
128.06212	5.3
129.05481	4.0
129.06979	12.9
130.07814	2.8
131.08534	26.6
133.10104	34.6
135.08046	9.5
135.11662	24.4
137.09607	6.6
141.06952	4.1
143.08534	14.9
145.04901	6.4
145.06502	3.9
145.10120	34.5
147.07999	4.7
147.11687	24.0
149.09546	8.5
149.13205	11.9
151.11052	3.6
155.08495	5.2
156.61040	2.6
157.06494	2.9
157.10066	10.9
159.04501	2.5
159.08000	5.6
159.11650	29.7
161.09601	6.1
161.13228	10.5
163.07443	3.3
163.11195	7.2
165.09068	6.6
169.10133	11.0
171.08051	6.2
171.11655	12.3
173.09541	3.6
173.13248	18.5
175.11191	6.3
175.14803	3.4
177.12729	6.3
179.10612	5.4
181.10101	4.2
183.11641	7.7
185.09642	4.8
185.13249	8.2
187.11145	5.7
187.14751	3.1
189.12781	5.8
191.10687	3.4
191.14247	3.3
191.34633	3.2
197.13171	4.1
199.14633	3.6
201.12886	7.0
203.14323	3.2
207.13887	3.1
209.13139	3.4
211.11322	5.7
212.03059	3.0
213.16338	10.7
214.17876	3.9
215.14452	3.1
215.17906	20.9
225.12770	2.9
225.16339	2.9
227.18063	3.2
231.17368	11.5
233.18959	16.7
239.17975	4.0
243.17497	5.3
245.18896	3.6
249.18517	8.4
251.20212	4.4
257.19022	6.6
261.18451	2.9
263.20004	4.7
267.12186	6.3
273.18494	5.4
275.19952	17.1
277.18762	2.8
281.19040	3.9
287.20065	4.4
291.19562	5.2
295.20364	4.5
307.15442	4.5
313.21524	7.9
317.21182	3.9
323.20013	8.2
331.22519	3.4
341.21143	23.7
357.42117	2.7
359.22076	29.0
377.23236	40.0
395.24179	12.2
430.36166	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	430.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03983	0.9
55.01851	1.6
55.05515	2.2
57.03428	20.4
57.07066	12.5
59.05007	4.5
60.04516	2.2
61.02930	1.3
63.04483	17.8
69.03419	64.2
69.07049	1.9
69.58054	7.9
70.03757	1.0
70.06580	14.3
71.06898	1.2
72.08138	3.8
73.02913	2.2
75.04459	2.5
79.05473	1.2
81.03414	3.5
81.07048	1.5
83.04970	1.6
83.08605	0.8
84.04501	5.1
84.08138	6.3
85.02892	46.5
86.03220	0.9
86.09693	36.2
87.04456	48.4
88.03976	0.9
91.05441	1.7
91.24686	1.0
93.07024	1.4
97.02878	53.5
98.74033	1.0
98.97572	1.6
99.04427	2.0
101.07125	1.4
102.05520	1.7
106.06536	12.6
107.04946	1.3
109.02864	2.0
111.04465	1.0
112.11294	1.0
115.03914	78.6
115.08654	1.0
119.10677	100.0
120.08050	1.4
120.11042	1.2
127.03891	6.9
129.10231	4.2
130.04977	2.7
133.04947	74.7
135.08121	0.9
136.06094	1.0
136.07616	1.0
137.05981	1.3
137.09624	1.2
143.11819	2.2
145.04933	7.9
147.04381	1.5
147.07672	3.8
149.07425	1.4
150.07629	6.6
163.07483	0.9
169.04924	1.7
171.11328	1.8
174.96945	1.5
186.08749	1.1
189.12352	2.9
197.12692	1.3
203.13823	1.1
215.13934	2.2
223.05919	1.4
229.15479	2.1
237.12418	1.2
241.07053	2.0
243.13454	2.2
251.14842	2.2
259.08145	3.7
260.16034	1.7
277.09113	2.0
281.15927	3.8
295.10202	2.8
296.90091	0.9
382.53125	1.0
431.13300	5.8
431.18494	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.1563
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43613	0.3
53.54177	0.3
55.01875	0.7
57.03420	0.9
61.02889	0.3
68.62609	0.2
69.03419	2.6
69.71929	0.3
69.85106	1.7
70.06570	1.3
71.04979	0.3
72.08124	0.9
72.34729	0.3
73.02895	0.8
81.03419	0.6
84.04501	0.4
84.08115	0.7
85.02899	3.5
86.06061	0.3
86.09694	0.7
87.04456	0.9
91.05798	0.6
94.04021	0.4
97.02876	1.5
98.98459	0.3
99.04415	0.4
101.02386	0.6
104.07080	1.7
106.05711	0.3
107.04939	0.6
107.40520	0.4
108.18582	0.3
110.07145	0.3
115.03921	0.8
119.03523	1.0
120.08052	0.3
127.03905	2.6
129.10298	0.4
133.04927	0.7
136.06165	100.0
137.04585	0.6
137.06531	0.7
145.04984	1.0
147.04485	0.3
153.14886	0.3
161.04456	0.5
164.70013	0.3
167.05623	0.5
184.87881	0.3
189.03899	0.7
218.11324	0.3
231.49324	0.3
244.68483	0.3
268.10361	13.2
288.92117	0.3
360.02649	0.4
407.02734	0.3
429.72308	0.7
430.15369	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.1703
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	8.2
53.64801	0.8
53.98334	0.8
55.01865	11.1
56.45497	0.8
57.03432	6.2
60.04510	2.1
61.02912	5.5
68.99778	3.4
69.03417	35.1
69.07023	0.8
70.06581	2.5
70.13293	1.9
70.13703	3.5
71.01337	1.0
71.04980	8.0
73.02901	11.0
74.06073	1.7
79.05474	1.0
79.12223	0.8
80.04998	1.0
81.03404	33.0
81.07024	1.1
83.01326	1.3
84.04455	1.3
84.08113	1.3
85.02889	100.0
86.03251	1.0
86.09688	2.6
87.00285	1.5
87.00815	32.0
87.04457	1.1
87.47842	0.9
91.03933	3.2
91.05472	1.3
93.07024	1.1
97.02872	39.5
98.06045	1.4
99.04436	20.9
102.05460	0.9
103.03922	1.6
105.01848	35.2
105.02557	1.9
105.07011	2.0
107.08600	1.0
108.04457	9.2
109.02856	39.2
115.03896	1.1
117.01830	4.6
120.06569	1.5
124.05199	1.0
126.05501	5.4
127.03895	84.4
128.04254	2.5
129.01811	5.7
137.05972	3.0
145.04930	52.7
145.10097	1.9
147.02859	5.6
159.02870	31.7
165.09128	2.1
167.08405	0.9
173.09552	1.0
177.04008	1.9
180.35588	0.9
181.27968	1.1
189.03900	1.4
189.09019	6.8
207.10153	2.0
213.03961	3.5
215.10565	1.3
221.75404	0.8
227.10779	1.0
230.06630	3.1
231.04958	18.9
231.10184	3.5
248.07619	7.5
249.06062	3.1
255.10066	1.4
266.08643	2.4
273.03748	0.9
273.11237	3.0
313.03345	1.6
313.51868	0.9
348.27069	0.9
355.08047	1.9
431.13187	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.3722
Annotation	alpha-Tocomonoenol
Peak:m/z	Relative Intensity
52.95455	0.4
55.01839	0.4
55.05505	2.5
57.07066	16.6
59.90755	0.5
67.05493	4.0
69.07063	4.0
71.07967	0.5
71.08620	10.0
71.40277	1.2
79.05456	1.5
81.07038	5.9
83.08620	2.8
85.09802	0.4
85.10169	4.8
91.05443	1.5
93.07016	2.1
95.08589	7.1
97.10167	2.5
105.07021	2.2
107.08568	5.4
109.06499	0.6
109.10137	5.1
111.04378	1.4
111.08002	0.5
111.11697	1.3
117.07032	0.5
119.08551	2.3
121.06467	1.2
121.10116	3.3
122.07268	1.4
123.08014	1.3
123.11643	1.1
125.05980	0.7
131.08508	1.8
133.10091	1.8
135.08031	5.0
135.11632	1.9
136.38873	0.4
137.05956	0.7
137.09587	9.3
137.13245	0.6
139.07503	2.1
143.08580	0.6
145.10056	1.8
147.11713	0.6
149.09596	15.7
149.13303	0.7
151.07516	1.3
157.10030	0.8
159.08006	1.0
159.11656	2.5
160.08839	1.0
161.09624	1.1
162.06752	0.8
163.07541	0.7
163.11156	20.6
164.08243	1.0
165.09082	100.0
166.09421	1.9
173.09584	2.1
173.13219	2.0
174.10207	0.5
175.11133	5.0
176.08235	1.4
177.09079	12.4
177.12633	2.3
179.10600	1.4
186.10478	1.0
187.11143	3.0
187.14760	1.2
189.09038	1.2
189.12715	1.7
190.09851	1.3
191.10625	10.1
191.14259	1.1
201.12724	3.4
203.10605	2.1
203.14171	1.3
204.11485	0.7
205.12196	10.2
206.39288	0.5
215.14299	1.4
219.13766	5.5
229.15883	0.5
233.15361	3.3
236.34642	0.5
243.17390	0.5
247.16827	1.3
261.18365	1.2
275.19995	1.3
281.25089	0.5
289.21527	1.3
290.11194	0.5
303.23154	1.8
317.24783	1.1
331.26157	0.7
345.27753	1.0
359.29367	0.7
373.30936	1.4
401.33881	2.8
411.36179	1.8
429.37219	59.0
429.42197	2.0
430.37634	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	428.3365
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	0.6
55.01869	1.2
55.05494	4.8
56.05022	2.8
57.07041	2.0
58.10513	0.6
60.04514	51.2
67.04230	0.9
67.05489	9.7
69.07059	5.2
70.06561	1.4
71.08595	0.7
71.57787	0.6
72.04498	1.0
74.09669	0.6
77.42966	0.6
79.05472	4.8
80.04993	0.9
81.07039	8.7
82.06557	10.5
83.04951	1.6
83.08607	5.4
84.83407	0.6
85.02893	1.1
85.06516	1.2
86.06047	0.8
87.04473	3.3
91.05450	4.0
93.07027	10.0
94.06550	13.6
95.04424	1.0
95.04955	9.4
95.07333	0.7
95.08587	5.3
96.08091	2.4
97.06483	1.9
97.10123	1.5
97.24720	0.7
98.09694	3.3
99.08087	0.7
103.05444	2.0
108.08132	2.8
109.06494	1.7
109.64075	0.6
110.06013	2.3
110.09657	8.0
111.08066	4.3
111.11681	0.6
112.07558	1.5
118.06520	1.2
120.08076	5.1
121.06480	4.3
126.09139	7.1
128.10704	1.0
130.06483	2.3
138.09111	32.4
138.10196	1.6
139.07483	5.3
144.10170	0.9
146.09605	1.0
156.10172	19.9
156.11453	1.2
174.11224	6.3
203.03391	6.1
213.05420	0.7
215.06906	1.1
216.10071	0.8
231.06538	1.9
241.08653	0.8
257.04297	0.8
266.24680	1.6
272.25662	1.9
314.26788	1.1
342.31439	6.2
361.96692	0.5
365.21094	0.9
367.22629	1.4
374.30664	0.8
380.31232	0.7
383.21964	0.9
392.31461	1.6
404.63058	0.6
410.32574	21.0
411.21411	1.2
411.32913	1.0
428.33725	100.0
429.22296	2.4
429.34067	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	429.1726
Annotation	Unknow
Peak:m/z	Relative Intensity
54.73268	0.4
55.01840	0.6
55.05501	0.6
57.03426	1.0
67.05486	0.8
69.03420	0.8
69.56844	1.2
69.57259	2.7
70.06582	3.1
72.08141	2.1
79.05479	0.9
80.17783	0.5
81.03422	2.2
81.07047	0.7
83.08562	0.4
83.46599	0.4
84.04507	0.7
84.08124	2.2
85.02898	0.9
86.09694	5.4
86.31974	0.5
91.05479	1.4
92.53065	0.5
93.07044	0.9
95.04939	1.3
97.02892	1.1
102.05556	0.5
105.07018	0.7
109.10161	0.9
117.07001	0.7
119.08555	0.6
120.08054	0.5
123.04353	0.6
127.03911	1.1
129.10239	1.4
161.09610	0.6
163.11142	0.5
171.14899	0.6
173.05852	0.8
185.04214	1.3
189.09067	1.5
193.12218	0.7
199.14424	0.5
199.18059	0.6
201.05434	1.4
202.05785	1.1
205.12024	0.6
211.13228	0.7
218.30659	0.4
221.11719	1.5
225.09729	1.0
231.17281	0.5
235.13246	0.5
243.10797	1.5
247.05997	1.1
248.06200	0.8
249.10875	0.9
267.11996	100.0
268.12296	4.3
276.75443	0.5
285.11816	1.5
331.16800	1.0
348.06668	0.5
429.17194	80.8
430.17575	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	429.1752
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	4.4
55.01859	5.5
55.05509	2.2
57.03434	4.8
61.02904	4.1
61.27964	1.0
67.05492	2.1
68.99773	2.6
69.03417	22.8
69.07050	2.9
70.06578	10.2
71.04979	4.3
71.62865	1.4
72.08146	5.8
73.02922	6.4
74.06057	1.2
79.05486	4.4
81.03402	23.6
81.07045	8.3
83.04951	3.9
84.04494	1.8
84.08141	4.8
85.02892	46.4
86.03197	1.0
86.09692	9.4
87.00814	15.9
87.04414	1.1
91.05438	7.7
93.07032	8.6
95.04953	19.4
95.08580	2.0
97.02283	1.0
97.02879	15.5
97.06520	2.8
97.69861	1.1
99.04437	7.9
103.03904	2.5
103.05421	1.0
105.01846	14.5
105.07021	8.8
107.04913	1.9
107.08569	10.7
109.02866	19.8
109.06480	2.8
111.04375	1.2
111.08035	1.1
112.08695	0.9
115.03954	1.4
117.01807	2.9
117.06998	3.4
119.08578	5.0
120.08079	2.3
121.06470	3.9
121.10133	10.8
123.04396	2.1
125.05962	2.1
127.03896	39.6
128.06186	1.2
129.01796	2.8
129.07039	1.5
129.10182	2.5
130.07751	2.8
133.06483	1.2
133.10114	2.3
135.07980	1.4
135.11670	6.9
136.06165	1.0
136.07547	1.6
137.05946	2.2
139.07532	1.3
143.08597	1.2
145.04939	15.4
145.10101	13.8
147.02843	2.8
147.08031	4.2
147.11609	1.1
147.43353	1.0
149.09521	0.9
157.09967	1.1
159.02859	12.4
161.09607	1.6
163.11154	100.0
164.11493	3.5
165.09039	2.1
165.12773	1.2
167.05615	0.9
167.06984	3.6
175.11183	2.8
181.12213	5.6
189.03906	3.6
193.12169	2.5
201.05463	2.0
203.10695	1.2
205.12144	6.1
206.05733	1.0
213.03862	3.1
215.07039	1.1
223.13239	7.6
231.04910	8.7
233.07898	1.2
249.07677	1.7
251.09125	1.1
267.12299	1.1
359.03183	1.2
375.14148	1.2
393.15341	3.2
411.16248	1.6
429.16223	6.8
429.21481	2.4
430.17444	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.1547
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72571	0.3
55.01861	0.4
55.05500	0.5
55.68538	0.3
56.05017	0.7
57.03421	1.1
61.02909	0.4
67.05483	1.6
69.03407	1.5
69.07056	0.5
69.38187	2.7
69.38592	0.9
70.06581	6.6
71.04993	0.4
72.08138	0.8
74.06068	0.5
79.05487	0.8
81.03403	1.7
81.07043	0.6
84.04479	1.5
84.07675	0.6
84.08128	5.7
85.02887	3.8
86.09694	2.6
87.00805	0.9
91.05462	1.5
93.07026	0.8
95.04958	2.2
95.08579	0.7
97.02864	1.1
99.04412	0.8
102.05507	0.7
103.03940	0.4
105.01849	1.2
107.04928	0.9
108.99156	0.3
109.02854	1.1
109.10101	0.4
110.07168	0.6
111.08004	0.3
113.62057	0.3
117.07018	1.0
119.08567	0.6
120.08092	3.7
121.08427	0.9
121.10098	0.8
127.03905	2.5
129.01602	0.4
129.06966	1.2
129.10217	2.3
131.08565	0.4
135.13559	0.3
136.06123	0.6
145.04932	1.1
145.06445	1.3
147.05872	0.8
147.08012	0.9
149.07454	0.4
149.97704	1.4
159.08041	0.6
160.05180	0.9
161.05949	0.9
163.07497	1.0
172.05170	1.0
173.02357	0.6
173.05966	1.0
174.03015	0.5
175.07550	1.7
177.70680	0.4
181.08551	2.8
185.05910	3.5
188.04651	16.8
189.05008	0.4
193.12088	0.4
203.07004	46.9
204.07356	1.2
205.08603	1.4
231.06493	100.0
232.06863	2.7
235.12910	0.5
249.07573	13.3
283.56546	0.4
298.04361	0.6
375.09399	0.4
383.70660	0.5
429.16400	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2474
Annotation	Dehydrogravicycle
Peak:m/z	Relative Intensity
52.29215	3.6
55.05497	19.4
57.07058	18.3
58.57851	3.4
60.37084	3.6
60.57492	3.5
65.58042	3.2
67.05500	18.7
69.07044	10.8
70.03082	20.9
71.08611	5.8
79.05475	7.1
81.07045	17.6
83.08597	14.0
84.45200	3.6
85.10159	5.8
91.05460	3.6
93.07037	4.9
95.08579	20.4
97.10174	4.0
105.07010	5.6
107.08542	4.1
109.10107	4.8
112.99976	6.2
115.05352	5.0
120.02968	4.0
121.06564	4.4
128.06230	5.2
129.07010	6.9
132.04367	4.5
141.06976	7.1
143.08560	4.6
145.06415	4.7
159.08112	3.5
161.06001	23.3
169.06458	4.6
171.04405	4.5
171.08028	14.9
172.04968	4.3
173.05966	5.9
175.07574	5.6
181.06435	13.9
184.05176	11.2
185.06018	12.4
187.07440	6.1
189.05400	17.6
195.02882	6.0
195.08086	6.5
197.05908	6.3
198.06709	13.9
199.03825	12.3
199.07555	18.0
200.04642	4.9
201.05475	22.5
201.09261	5.1
203.03354	14.1
205.04927	24.5
207.06487	9.2
209.05949	12.1
210.06735	6.3
211.07527	11.0
212.04617	36.9
213.05446	34.5
213.09055	16.7
214.06174	18.9
215.06979	21.8
216.04150	17.5
217.04955	11.6
219.06482	66.5
221.05994	5.8
222.06662	5.7
223.07545	6.3
225.05408	11.1
225.09007	4.6
226.06271	17.9
227.07004	80.6
228.07713	10.0
229.02841	3.7
229.04823	20.8
229.08473	4.7
231.06514	19.8
237.05476	6.3
239.10616	5.0
241.08562	37.9
242.05713	8.4
243.06447	7.9
247.06035	12.4
253.08514	10.3
254.05615	7.1
255.06485	16.7
255.10161	9.1
257.07974	10.8
265.08514	4.8
269.08020	61.2
281.11682	6.3
283.09503	4.3
327.87872	3.7
358.81464	3.7
365.20874	8.5
365.24954	4.7
367.22595	44.5
381.24213	54.1
385.23407	4.7
391.22507	15.9
395.21826	4.5
397.23520	14.4
397.28366	3.8
399.25247	11.6
409.23645	100.0
410.23956	4.1
426.46451	7.5
427.24762	87.7
427.30261	6.8
427.41022	10.0
427.46426	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	427.2472
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	13.0
57.07056	11.0
58.44733	2.8
67.05493	9.6
69.07050	10.0
71.08611	4.2
71.63708	5.5
71.64114	3.7
79.05460	3.3
81.07044	14.8
83.08631	6.8
90.71413	3.1
95.08599	12.9
101.06007	2.8
105.07011	5.3
109.10147	7.2
123.02583	3.7
129.06992	5.9
135.10632	3.1
143.08517	4.4
149.15691	3.8
155.08539	4.7
159.07991	4.5
161.05952	11.3
162.96161	3.0
171.08023	4.7
172.05301	4.8
173.02365	5.3
173.88586	3.5
175.03900	7.2
184.05186	4.4
185.06000	4.7
187.03912	3.5
188.04562	4.6
197.05997	6.8
198.06845	8.9
199.07472	15.0
201.05443	9.3
203.03366	100.0
205.04860	24.9
210.06828	5.8
211.07503	8.0
212.08508	3.8
213.05464	16.1
213.09036	16.0
214.06125	4.4
215.06935	15.8
216.04198	18.9
217.04977	6.8
219.06488	6.4
223.07535	4.9
225.08969	7.5
226.06264	10.0
227.07021	21.2
228.07710	9.9
229.04927	9.2
229.08517	6.3
230.24782	8.0
231.06487	62.1
237.09088	3.9
239.06978	7.3
240.07692	5.0
241.08556	19.4
243.06557	6.0
251.10641	3.9
255.06512	4.1
265.08545	6.1
269.08032	12.2
365.20731	5.1
381.24243	27.9
383.21896	4.1
391.22504	9.9
399.25241	7.5
409.23657	58.7
426.41214	4.2
426.46512	13.4
427.24741	47.5
427.29913	5.2
427.35406	4.6
427.41211	7.1
427.46771	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	427.1384
Annotation	(-)-13alpha-Hydroxytephrosin
Peak:m/z	Relative Intensity
53.46585	0.4
63.92393	0.4
68.51351	0.4
68.99792	2.7
69.92653	1.5
69.93063	1.0
79.05463	1.1
91.05471	5.1
93.17406	0.4
95.04922	0.4
98.21430	0.4
103.05433	0.5
107.04907	1.0
115.05444	0.9
116.06213	1.1
117.03353	1.1
119.04890	1.0
121.02819	1.3
121.06512	0.4
125.05956	0.6
128.06201	5.7
129.06987	13.5
131.04872	1.7
131.08528	3.2
135.04372	1.1
137.05940	0.8
141.06937	1.1
144.05635	1.7
145.02780	1.3
145.06404	1.3
147.08020	3.3
153.05472	1.2
156.05664	0.8
157.06406	1.6
157.07594	1.6
159.08040	13.4
161.05920	1.0
163.03851	4.4
163.07494	0.9
169.06461	0.5
171.04343	0.7
172.05164	7.4
173.05954	2.0
177.05466	2.9
182.54874	0.4
185.05934	1.8
187.07515	55.2
188.07848	1.4
189.05377	0.5
189.09097	0.6
195.06496	3.1
195.75978	0.5
200.04662	12.6
201.05199	0.6
205.04906	1.6
205.08511	2.1
215.06992	100.0
216.07376	3.1
218.05733	0.5
219.06592	0.6
233.08049	59.6
234.08372	2.1
247.09579	0.5
342.64304	0.4
391.11694	0.4
409.12814	1.4
427.13818	82.6
428.14163	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	427.1383
Annotation	(-)-13alpha-Hydroxytephrosin
Peak:m/z	Relative Intensity
53.03937	0.7
63.06780	0.6
67.05485	1.2
68.99774	2.9
69.03396	1.1
69.07040	0.9
69.51157	5.0
70.06578	4.0
72.08125	1.0
79.05480	1.3
81.03412	0.8
81.07029	1.6
84.04465	1.0
84.08122	2.2
85.02870	0.7
86.09677	2.6
89.03900	0.6
90.62723	0.5
91.05467	6.9
93.07013	1.2
95.04924	1.2
95.08599	1.1
97.02889	0.6
98.20794	1.3
105.06995	1.2
107.04929	1.2
109.06494	0.5
115.05392	1.3
117.03335	1.5
117.06955	0.7
119.04922	1.6
119.08586	1.2
120.08094	1.0
121.02789	1.0
126.12734	3.4
126.31691	0.5
127.03838	0.8
128.06187	7.6
129.06985	13.1
129.10231	0.9
131.04900	1.8
131.08554	4.1
135.04381	1.2
135.07999	0.7
136.06108	0.6
137.05939	1.6
141.06969	0.9
144.05664	1.8
145.02829	1.6
145.06441	1.2
145.10016	0.9
147.08043	3.5
156.05618	0.9
157.06407	2.1
157.07628	1.6
159.08029	13.8
161.05986	1.4
163.03891	5.9
163.07509	0.9
172.05173	6.8
173.05951	2.1
177.05476	3.1
177.07091	0.6
185.05991	2.1
187.07509	53.4
188.07877	1.7
189.09009	1.0
195.06494	4.2
200.04655	12.3
205.04893	1.7
205.08530	2.7
215.06995	100.0
216.07339	3.8
233.08052	60.3
234.08385	2.0
265.17853	1.2
281.65170	0.6
409.12527	2.2
427.13788	78.6
428.13940	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	427.1568
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	0.5
55.01857	0.7
55.05495	0.3
56.05008	0.5
57.03428	0.4
57.04538	0.3
58.25496	0.2
59.97947	0.2
61.02916	0.2
65.08677	0.2
68.99791	0.2
69.03416	2.0
69.71116	0.5
69.71532	0.8
70.06237	0.3
70.06586	3.2
71.04988	0.3
72.08139	0.7
73.02888	0.5
74.06057	0.2
79.05490	0.2
81.03407	2.1
81.07041	0.5
82.82245	0.2
84.04501	0.6
84.08136	2.3
85.02892	3.9
86.09711	1.7
87.00818	1.7
87.04413	0.2
87.05561	0.3
89.03909	0.2
91.05467	0.3
94.04032	1.4
97.02881	1.7
99.04445	1.0
102.05511	0.3
104.05328	0.3
105.01833	1.4
107.04927	0.8
109.02872	2.2
110.07135	0.4
112.05064	0.2
115.05407	0.2
117.01849	0.4
118.14751	0.2
120.08082	0.6
121.05125	0.3
123.04440	0.9
123.06654	0.7
127.03886	2.8
129.01834	0.4
129.10229	1.2
133.02829	1.9
133.05019	0.4
135.04413	0.6
135.05371	0.3
136.06169	0.6
142.13080	0.2
145.04977	1.1
150.07729	100.0
151.08150	1.1
159.02850	1.1
176.05649	0.2
176.96895	0.2
179.03374	29.5
180.03731	0.9
209.01076	0.2
213.03828	0.2
231.05008	0.5
247.09628	0.2
256.16983	0.4
265.07129	0.5
280.06717	0.2
282.11935	0.9
295.11456	24.6
296.11578	0.4
307.00873	0.2
383.10477	0.2
414.70212	0.2
427.13199	1.4
427.18423	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.0865
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08475	0.3
53.03936	2.7
54.53524	0.3
55.01865	2.0
57.03416	1.0
60.17233	0.3
60.64026	0.3
61.02903	1.1
68.99774	0.8
69.03426	5.4
69.84310	2.1
71.01346	0.3
71.04964	1.1
73.02927	1.5
81.03402	7.4
85.02892	13.4
87.00824	5.6
89.03879	0.8
91.92547	0.3
94.85326	0.3
96.39220	0.3
97.02877	5.6
98.20779	0.3
99.04445	2.7
103.63555	0.3
105.01846	3.6
105.03355	0.9
107.04917	0.6
109.02867	8.8
117.01828	1.0
117.03372	0.8
120.75445	0.3
123.04425	2.2
127.03902	11.7
129.01819	0.8
133.02832	8.0
134.03072	0.3
135.04384	2.4
140.24171	0.3
145.04945	4.2
147.02800	0.7
159.02881	3.9
161.02303	0.6
173.82968	0.3
179.03369	100.0
180.03717	1.3
207.81032	0.4
213.03853	0.6
227.05829	0.3
231.05005	2.0
265.06625	0.3
406.59094	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.2608
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33553	1.1
53.80846	1.1
55.05486	2.6
57.03400	2.2
57.07068	14.8
62.06078	21.8
64.36086	1.2
67.05482	4.2
69.07040	5.3
70.06584	2.4
70.43635	1.1
71.04961	4.7
71.08624	11.5
71.63246	2.1
71.84162	1.1
72.08130	1.3
73.06988	1.2
79.05485	1.9
81.07034	7.8
83.04938	1.3
83.08585	3.5
85.10166	7.2
91.05428	2.8
91.58241	1.2
93.07034	1.3
95.08593	10.6
97.10138	1.6
98.06036	1.6
98.98430	4.5
109.10126	4.2
112.99692	1.5
115.25279	1.2
116.10675	1.4
119.08529	2.1
123.11691	1.8
130.10730	1.3
155.01004	6.0
207.13768	1.9
208.14119	2.2
214.16187	1.3
214.17903	7.8
216.06303	4.0
227.33737	1.4
240.19460	1.7
254.24756	11.6
285.24197	100.0
286.24319	3.0
296.36017	1.5
358.16177	2.0
358.66327	1.6
365.20859	8.0
408.25101	5.4
426.19580	1.3
426.25552	1.5
426.35776	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	426.2631
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82347	1.0
51.18005	1.1
55.05498	1.4
57.07067	2.5
67.05485	3.4
67.24249	1.1
69.07059	2.5
69.33611	1.2
69.48304	5.6
69.48740	5.3
71.08627	2.4
74.06050	1.3
79.05479	2.8
81.07035	2.7
84.56589	1.1
87.04460	1.6
89.06019	4.2
91.05460	5.3
93.07027	3.2
95.08586	2.2
98.06071	3.6
105.07011	2.3
107.27269	1.2
117.06992	2.3
119.08593	2.6
121.06454	1.3
125.15517	1.1
133.08604	2.1
138.62534	1.1
140.97496	1.5
145.10124	2.6
149.05978	2.0
155.00999	1.7
155.08415	1.5
163.11165	2.7
173.09550	7.4
191.10637	100.0
192.10980	5.4
201.09077	4.6
219.10129	14.5
230.21466	1.3
242.21181	3.1
254.24919	2.1
270.24417	2.8
311.26035	1.8
363.19485	1.5
381.20526	13.5
382.21088	2.0
408.38440	1.8
426.26270	7.9
426.39355	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	426.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49665	0.6
53.03928	2.9
53.21527	0.8
55.01860	2.1
55.05495	1.5
56.05016	1.0
57.03426	1.9
60.04520	1.2
61.02890	2.6
67.05489	1.3
69.03427	12.7
70.06585	9.9
71.04986	3.7
71.62447	1.2
72.08148	4.3
73.02895	3.1
74.06081	0.9
74.21003	0.6
74.60144	0.7
77.14397	0.7
79.05485	0.8
81.03408	12.4
81.07057	1.9
83.01341	0.7
83.04958	1.3
84.04489	1.8
84.08138	13.7
85.02895	44.7
85.08459	0.9
86.09697	2.8
87.00826	4.8
91.05440	1.0
95.04964	0.8
97.02881	20.8
99.04443	18.2
102.05517	1.4
103.03931	37.5
105.01856	5.5
105.03360	1.7
107.04951	1.0
109.02872	17.4
110.07139	1.7
116.07071	1.6
117.03269	0.7
120.08082	1.5
122.06023	0.9
123.04384	2.4
125.09622	2.4
127.03903	56.9
128.04231	1.1
129.10242	3.4
129.77376	0.7
133.02844	8.7
135.04301	1.3
136.07547	1.4
137.05977	1.3
138.09140	0.8
145.04941	31.9
147.04398	1.0
150.07724	2.5
159.02888	3.2
163.03905	1.0
163.05991	25.4
177.00708	0.9
179.03377	100.0
187.06018	2.1
197.16379	0.7
231.04971	2.1
265.07245	0.8
271.08136	5.7
271.10992	0.9
289.09164	4.8
303.49475	0.7
305.14795	1.0
307.10214	4.0
363.09933	0.8
366.05362	0.9
426.21292	1.2
427.13519	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.1963
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.5
55.01846	3.4
56.05003	1.3
57.03424	21.2
59.04978	4.8
60.04514	3.2
61.02918	3.4
69.03418	83.7
69.07065	2.8
70.06582	17.3
71.04979	2.7
71.13390	1.8
71.13728	3.3
72.08129	1.4
73.02894	3.4
75.04461	3.4
79.05466	6.3
81.03409	8.0
81.07048	8.2
84.08122	3.5
85.02892	77.9
87.04456	60.5
88.03957	1.7
91.03961	4.0
91.05468	4.4
93.07018	5.6
95.04961	4.2
95.08566	1.4
97.02879	63.9
97.06515	23.5
99.04424	6.1
101.50958	1.5
103.03930	2.3
105.07029	1.7
109.02864	5.3
109.06499	5.3
110.07221	2.4
111.08034	1.9
115.03912	91.7
115.07545	4.0
116.04221	1.9
119.08504	1.6
120.08090	1.5
121.06477	12.6
123.04410	1.9
123.08069	3.4
125.06024	2.7
127.03899	18.7
131.07011	2.2
133.04942	100.0
135.08034	1.9
139.07535	8.4
144.23015	1.9
145.04936	31.3
145.06001	3.0
147.04404	4.3
150.07602	12.0
151.07523	4.2
161.06128	1.4
162.07397	1.4
163.05998	13.3
163.07492	4.6
175.07539	3.0
179.03360	12.6
181.08542	3.2
193.08537	3.7
206.59384	1.3
210.52293	1.5
211.06308	1.4
211.09612	4.0
218.91287	1.5
223.05943	1.6
223.09555	2.6
229.10544	3.3
234.07588	2.7
241.07021	3.1
241.10757	2.2
259.08102	6.7
277.08759	1.6
277.12753	4.2
294.15268	1.9
295.10092	4.7
324.99622	2.0
426.21042	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	425.2893
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	8.5
55.01860	18.1
55.05505	25.6
57.03419	7.6
57.07069	17.6
61.02926	2.8
67.05495	90.0
68.05817	2.4
69.03418	30.1
69.07058	34.1
71.04978	13.8
71.08613	5.5
73.02900	12.3
75.97041	2.5
79.05488	28.5
81.03411	33.2
81.06566	5.9
81.07047	100.0
83.04961	8.1
83.08616	20.9
84.96673	2.5
85.02885	9.5
85.06539	4.6
85.10165	7.5
87.04496	2.6
89.06016	3.5
90.94765	3.0
91.05480	22.7
91.23115	2.5
92.59137	2.7
93.07034	41.6
95.04929	5.8
95.08596	82.2
97.02883	79.2
97.06532	6.2
97.10152	11.0
99.04445	75.6
99.08060	3.7
104.07105	2.8
105.06987	15.1
107.08582	25.6
109.02863	32.2
109.06483	3.0
109.10147	30.1
111.08081	5.2
111.11703	3.4
112.39695	2.7
119.08546	16.0
121.06484	2.8
121.10140	19.1
123.11697	20.8
127.03907	82.7
131.08475	3.3
133.08612	3.2
133.10056	14.7
135.11690	12.3
137.13214	9.3
139.11151	3.5
145.04967	14.8
145.10109	4.0
147.11649	11.4
149.13237	10.2
151.14780	5.6
153.12738	2.8
156.04529	2.6
157.10133	3.7
159.11671	3.0
161.13239	10.2
163.14775	9.8
165.12805	3.1
165.16347	2.6
175.14807	10.1
177.16306	3.5
179.14253	3.8
189.16365	3.8
217.70914	3.0
245.22655	10.5
255.06749	3.0
261.22046	5.1
263.23682	48.8
285.07700	4.4
311.25684	6.0
331.26346	6.8
341.24506	4.1
359.25787	8.3
389.27094	4.2
407.27808	3.8
408.33884	6.4
425.32242	12.6
425.38141	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	425.2892
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61931	2.3
53.03931	4.9
53.46493	2.5
55.01862	7.6
55.05504	25.5
57.03433	7.3
57.07071	24.1
61.02916	3.4
67.05499	85.0
69.03418	19.6
69.07062	32.0
71.04981	8.0
71.08616	13.2
71.63552	4.8
72.08972	3.1
72.93733	2.8
73.02908	5.7
79.05478	36.8
80.05815	2.9
81.03416	21.1
81.07047	100.0
83.04967	3.9
83.08607	23.2
85.02901	7.3
85.10184	6.6
86.20940	2.8
87.04461	2.8
89.06035	15.9
91.05476	28.1
93.07038	37.9
95.04955	10.9
95.08593	72.5
96.08908	3.6
97.02885	79.8
97.06517	7.4
97.10160	11.6
99.04445	33.3
99.08098	3.4
105.07027	26.9
107.08583	24.3
109.02903	13.5
109.06508	4.8
109.10147	25.7
110.93559	2.5
111.04451	4.1
111.08052	6.1
111.11687	4.1
117.07009	7.8
119.08569	24.9
121.06477	4.1
121.10113	21.7
123.08067	7.6
123.11717	14.9
125.09620	2.6
126.12783	2.9
127.03900	28.4
131.08545	10.1
133.08577	8.3
133.10118	15.0
135.11658	12.7
137.09703	2.7
137.13226	7.3
143.08548	7.1
145.04909	12.6
145.10103	8.9
147.08078	4.4
147.11676	10.8
149.09673	3.8
149.13248	8.3
151.11168	3.8
151.14865	3.3
155.01006	6.2
155.08621	2.5
157.10045	2.4
159.11691	8.1
161.13268	10.2
163.11145	3.1
163.14856	9.1
165.12830	4.4
165.16321	3.6
171.11711	4.2
175.14832	6.7
181.12161	3.5
189.16486	4.7
201.16628	2.5
239.14867	6.9
240.15253	5.7
245.22763	6.7
261.22211	4.6
262.25186	3.3
263.23663	34.6
293.24893	3.6
303.23438	3.3
306.09894	2.7
310.24927	2.7
311.25784	14.4
317.24744	3.0
321.24277	3.6
333.15063	7.1
371.25882	8.8
389.26868	10.7
402.80646	2.6
407.28317	8.9
408.34070	21.3
425.32257	14.0
425.38348	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	425.2653
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05491	3.8
56.36666	1.3
57.03412	5.2
57.07069	19.3
67.05477	5.8
67.79386	1.5
69.07040	4.2
69.51485	4.4
69.51910	7.4
71.08610	14.7
81.07039	9.9
83.08618	7.6
85.10151	5.6
88.07631	1.6
89.06012	7.3
91.05460	2.1
93.07030	3.6
95.08591	11.2
95.89801	1.4
97.10169	1.7
98.79278	1.3
99.11687	1.4
109.10126	6.0
112.99993	82.0
119.08530	1.5
133.08572	2.5
169.02576	100.0
187.03648	3.0
201.58685	1.4
239.23553	1.8
302.33948	1.5
313.27295	41.9
384.22006	2.1
407.25803	3.4
408.33154	1.8
425.21515	3.0
425.33737	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	425.1566
Annotation	Eprosartan
Peak:m/z	Relative Intensity
51.28494	0.5
55.05484	0.5
55.07576	0.5
55.67756	0.6
56.05034	1.3
60.44752	0.5
67.05478	2.1
69.03408	1.3
69.07042	1.2
70.06574	8.8
70.42284	1.6
71.04977	1.3
72.08140	2.2
74.06068	1.1
79.05482	1.0
81.03416	1.3
81.07050	5.1
83.04955	0.6
84.04472	2.2
84.08134	5.5
85.02882	2.3
85.06531	0.7
86.09686	6.6
87.00806	0.6
91.05463	1.2
91.53590	0.5
95.08581	0.8
97.02889	0.6
98.06037	0.9
98.09660	0.6
99.04422	0.7
99.53337	0.5
102.05555	0.7
105.07028	0.8
107.08569	0.8
109.02858	1.2
110.07142	1.2
116.07033	0.6
119.04900	0.5
120.08081	1.8
121.10117	1.0
122.07050	0.5
123.11678	1.5
127.03894	1.5
127.12296	0.5
129.10239	1.9
136.07552	0.6
140.07010	0.6
140.45946	0.5
145.04906	0.7
146.06277	0.7
147.04340	0.6
159.09128	0.9
159.13834	1.7
161.09583	0.7
162.10359	0.6
169.09909	0.5
176.07025	1.1
177.07385	2.3
177.14738	0.7
183.14909	0.9
188.08151	0.6
197.12791	0.8
203.10327	0.7
211.14253	0.7
224.04280	0.5
231.04889	0.6
249.37665	0.6
263.09082	1.6
310.21216	0.7
316.47861	0.6
322.13913	0.7
361.12296	0.8
363.14011	0.6
397.15607	0.5
407.12802	0.9
408.13855	2.4
425.15652	100.0
426.16104	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1954
Annotation	Haperforin G
Peak:m/z	Relative Intensity
55.05507	1.7
57.07071	7.8
58.55339	0.9
60.15017	0.9
67.05496	7.2
67.70013	1.0
69.03413	1.1
69.07055	1.7
69.90978	2.8
69.91391	3.4
71.08637	1.4
79.05483	10.7
81.07056	6.2
83.05003	1.1
83.08630	1.3
85.06548	5.4
91.05470	10.3
93.07062	5.3
95.04939	1.8
95.08592	3.7
97.06522	1.6
105.07013	8.0
107.08604	3.7
109.06520	1.3
117.07000	1.9
119.08585	3.3
121.10088	2.3
123.08077	1.1
123.11704	1.3
125.05968	1.9
129.07002	2.1
130.74484	0.9
131.08534	1.5
133.10049	1.5
135.11699	1.7
140.09830	0.9
141.06982	1.5
145.06514	1.7
145.10048	1.5
147.08003	1.4
147.11678	7.6
149.13239	4.7
151.07516	7.0
159.08057	1.3
159.11650	1.3
161.05972	3.8
165.06932	1.4
175.03868	3.1
175.07439	1.2
175.11205	4.3
177.12759	2.6
184.07356	1.8
187.07545	3.6
192.11017	1.2
193.12274	1.3
195.13760	3.4
198.06688	1.3
199.07504	2.0
200.04669	3.0
201.05521	1.5
203.03410	5.4
203.08690	1.3
207.08127	1.8
207.13739	10.0
211.07475	1.9
211.11290	1.1
213.05432	7.2
213.09048	2.3
214.06261	1.9
215.06984	17.2
216.04160	11.9
219.08214	1.7
221.05971	1.4
223.07507	1.3
225.08977	2.1
227.06961	3.0
231.06483	31.0
232.08907	1.0
233.09660	2.4
234.10379	2.4
235.07515	3.7
235.11159	1.0
236.08344	2.0
237.05573	1.0
237.09041	2.8
238.06232	1.2
239.07101	1.6
239.10664	1.6
241.08577	4.7
245.09454	1.7
247.07550	1.6
248.08281	2.0
249.05475	2.3
249.09019	3.0
250.06349	1.2
250.09723	2.1
251.06993	2.9
251.10590	3.1
252.07916	2.6
253.08546	2.7
260.08337	1.9
261.09106	3.2
262.09906	1.8
263.07040	3.0
263.10651	3.1
264.07779	1.8
264.11429	1.5
265.08731	6.0
265.12088	6.0
267.10123	14.5
272.08450	1.3
273.09232	2.3
274.09937	2.5
275.07196	2.0
275.10608	4.6
277.08722	2.6
277.12222	3.6
278.09332	2.8
279.10196	2.7
279.13687	1.0
287.10641	1.9
288.11395	1.9
289.08701	1.4
289.12177	3.1
290.09351	3.2
291.10181	5.1
291.13385	1.2
292.10751	1.6
293.11713	11.8
295.13159	7.1
303.10410	2.2
303.13626	1.4
304.10736	1.6
305.11658	7.2
305.15170	1.6
306.12213	1.2
307.13260	1.6
307.16623	1.1
317.11755	1.4
319.09637	1.1
319.13162	1.7
321.11053	2.0
323.12839	4.3
331.13324	1.7
333.18448	2.1
335.16132	1.2
335.19980	4.4
337.10614	1.6
343.17056	2.8
345.18469	3.2
361.17978	16.1
363.19525	11.6
379.19205	6.5
389.17273	6.6
407.18500	100.0
408.18900	4.6
425.19519	22.6
425.31406	2.4
426.19604	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1226
Annotation	Unknow
Peak:m/z	Relative Intensity
70.81167	3.3
76.79908	0.8
85.34167	0.8
91.05447	2.3
95.04932	1.2
101.22507	0.9
117.03391	1.4
122.03676	1.1
124.05189	1.2
129.07018	1.5
137.05919	4.9
137.08493	0.9
139.05505	1.0
145.02766	2.6
151.03909	4.4
155.08539	1.9
163.03842	3.4
168.05656	1.5
171.49922	0.9
174.03117	2.1
175.03896	2.2
177.05420	3.5
182.07266	1.7
184.05289	1.1
185.09506	1.2
195.06451	1.8
196.05086	2.0
198.06747	4.7
202.07697	1.2
203.03407	2.4
213.05489	1.4
213.09085	3.1
216.04135	46.2
217.04608	1.0
219.07962	1.2
222.03105	1.1
224.04668	9.9
227.06828	1.5
231.06473	56.8
232.06792	1.0
239.07004	25.2
240.04158	2.0
247.07535	1.5
249.09050	1.1
250.02553	2.1
255.06528	1.2
257.08328	1.0
258.06744	1.7
259.07553	3.1
260.08307	2.4
261.08969	1.9
268.03641	14.5
271.07596	1.6
273.05295	2.7
273.08969	1.3
275.06897	2.9
275.10403	1.6
277.08514	6.2
283.02844	2.1
283.05981	42.2
284.06375	1.3
286.06378	1.2
287.06998	8.3
288.07745	7.8
289.08533	5.5
290.05582	2.8
291.02722	1.3
291.10074	1.8
296.06705	1.0
300.07825	1.4
301.04904	1.6
301.08521	3.1
302.05795	1.1
302.09344	1.4
303.06458	5.9
303.10168	3.1
304.07321	1.7
304.10846	1.8
305.08032	10.3
306.05276	3.1
307.05972	1.2
314.05502	1.2
315.06445	4.5
316.07312	9.2
317.07974	5.9
318.05173	1.7
318.08780	1.5
319.09525	2.6
320.10205	4.5
321.07510	12.2
329.08014	2.1
330.08859	4.7
331.05911	4.2
331.09564	9.5
332.06683	5.1
333.07547	10.1
333.11053	1.9
335.12723	3.2
339.08588	2.1
345.11224	2.5
346.08252	15.8
347.09106	13.2
348.09827	14.4
361.10641	35.2
362.10910	1.6
363.12222	18.6
379.11743	7.5
389.10135	6.6
392.08728	1.2
407.11212	100.0
408.11722	4.8
425.12271	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	425.1225
Annotation	Unknow
Peak:m/z	Relative Intensity
64.60780	1.1
66.80861	1.1
67.05492	2.2
70.06179	6.1
79.05499	1.4
81.07053	2.9
82.75683	1.0
82.93899	1.0
84.08116	1.7
85.43593	1.0
89.03910	5.5
91.05449	2.5
93.06998	1.3
95.04993	2.1
95.08621	1.2
98.21469	2.0
105.07005	1.4
117.03362	20.6
121.10094	1.2
128.06216	1.2
129.06978	2.4
131.08591	1.4
134.03658	1.5
135.04442	2.0
137.05956	9.6
145.02831	51.8
146.03192	1.7
149.05931	8.5
151.03917	2.8
151.07538	1.8
154.93031	1.1
155.08592	1.4
158.05904	1.1
159.08061	1.3
161.05957	1.6
161.13313	1.2
167.03419	2.4
174.03076	2.2
175.03893	2.1
177.05455	100.0
178.05865	1.6
182.07234	1.2
186.05537	3.9
187.03940	1.6
187.07585	1.8
187.94940	1.0
195.06487	2.5
198.02983	1.1
198.06731	5.6
203.03539	1.4
203.07007	3.0
205.05013	1.7
213.09026	6.8
216.04160	57.3
221.04323	1.1
224.04703	2.2
226.02626	3.0
227.06529	1.1
231.06488	80.2
232.06902	1.5
232.08966	1.5
235.07378	1.1
237.05447	3.9
239.06944	8.2
240.99857	1.1
241.04996	4.7
250.02637	1.2
257.07913	1.1
259.07660	1.6
260.08286	3.2
261.09018	1.6
263.07077	1.5
265.05057	2.5
268.03635	4.3
271.07538	1.5
272.08466	1.5
273.05402	2.5
275.07364	1.2
275.10513	1.7
277.08594	4.1
283.05975	13.1
287.07010	4.1
288.07773	7.2
289.08453	4.2
290.05652	2.7
291.06467	2.0
299.07217	1.4
301.08383	2.3
303.06491	3.4
303.10187	3.6
304.10873	1.8
305.07980	6.1
305.97278	1.2
308.06747	9.3
315.06378	2.0
316.07336	6.2
317.08206	5.9
318.08749	2.2
320.10376	2.2
321.07471	1.6
323.08969	10.6
329.07864	2.0
330.08902	4.1
331.06064	1.8
331.09665	7.1
332.06812	1.8
333.07611	6.0
333.11111	1.7
335.12875	3.4
345.11169	3.7
346.08380	5.2
347.09125	9.3
348.09811	6.1
361.10754	13.0
363.12216	29.5
365.10202	2.7
379.11694	2.0
389.10129	5.1
407.11304	20.9
408.11481	1.5
425.12271	29.7
425.17569	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1226
Annotation	Unknow
Peak:m/z	Relative Intensity
57.43685	0.7
67.05488	1.7
69.03413	0.9
69.07042	1.5
71.62526	0.9
72.38413	0.5
77.84543	0.6
79.05479	0.9
81.07043	1.6
83.08627	1.1
84.08134	0.9
86.65281	0.5
91.05473	2.1
91.34776	0.6
93.07014	1.7
95.08599	2.5
105.07012	1.7
107.08569	1.4
109.10119	1.3
110.71664	0.6
111.04483	0.7
115.33745	0.7
117.03352	0.8
119.08568	1.6
121.10149	1.2
128.06274	0.6
129.07021	1.1
133.10114	1.0
135.11639	0.9
136.12068	0.7
137.05962	5.6
143.08624	0.9
145.02831	2.0
145.10194	1.0
149.13237	0.8
149.93993	0.6
151.03951	3.4
155.08533	2.1
161.05968	1.3
161.13245	0.7
172.05225	1.0
175.03944	1.5
175.07520	0.6
175.14850	0.8
177.05405	3.0
181.06480	0.8
183.04454	0.9
183.08070	0.6
185.09558	1.3
187.03870	0.6
187.14713	0.9
191.14323	0.7
196.05202	1.0
198.06749	4.8
203.03404	1.1
203.08684	0.9
205.04945	1.1
212.04575	0.7
213.05499	1.3
213.09059	4.7
216.04167	15.8
222.03096	0.8
223.03908	1.3
224.04659	9.8
227.06955	1.5
227.93410	0.6
231.06458	25.6
232.08904	0.9
239.06998	21.4
240.04112	2.6
242.05667	1.2
243.08147	0.8
245.09650	1.8
247.07532	1.2
249.09224	1.2
250.02617	2.3
251.06848	0.7
255.06412	0.8
258.06775	1.3
258.19626	0.6
259.07486	3.5
260.08331	3.8
261.09024	2.3
262.06424	0.8
265.05109	1.1
268.03662	11.1
269.04361	0.8
271.07553	1.9
272.08249	1.7
273.05466	2.4
273.09097	1.8
275.07065	3.1
275.10629	1.3
276.07880	1.4
277.08649	5.9
283.05978	45.3
284.06223	1.1
285.05499	1.0
285.08798	0.6
287.06992	9.1
288.07800	6.8
289.05103	1.3
289.08441	6.2
290.05817	1.3
290.09198	1.5
291.02979	1.0
300.07721	1.1
301.04892	1.9
301.08578	3.1
302.05731	1.9
302.09329	1.3
303.06528	5.7
303.10162	5.5
304.07285	1.7
304.10745	1.3
305.08084	10.4
305.11511	1.2
306.05209	3.4
306.08282	0.7
314.06085	0.9
315.06488	5.1
315.09808	0.9
316.07272	7.6
317.07983	4.8
318.05328	1.6
318.08853	2.1
319.06195	0.8
319.09653	2.5
320.10211	3.8
321.07541	10.8
321.11035	1.1
329.08017	1.9
330.08859	4.4
331.05933	3.0
331.09659	8.2
332.06775	4.3
333.07593	9.9
333.11246	1.4
335.12784	2.9
335.17599	1.0
339.08856	1.2
345.11252	2.2
346.08337	13.6
347.09094	13.9
348.09885	12.2
349.10266	0.6
353.19061	1.3
361.10681	31.1
362.10974	1.4
363.12225	17.9
374.07858	1.7
379.11792	6.0
389.10156	5.7
392.08957	1.7
407.11224	100.0
408.11533	5.3
425.12311	14.9
425.22595	0.7
425.34320	1.2
426.12540	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1131
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06586	0.6
71.61712	0.5
82.99448	0.5
82.99878	1.8
84.08124	0.6
85.02862	0.7
94.92989	1.7
94.99834	0.6
97.02867	0.6
101.00857	7.8
109.02780	0.7
112.33466	0.4
112.89600	1.6
113.00864	1.6
114.89413	0.6
117.66171	0.5
119.01907	22.0
120.02006	0.9
120.86925	0.4
127.02396	1.0
128.05087	0.5
131.01886	7.8
133.03439	1.0
137.02931	3.9
139.80162	0.5
143.01869	23.1
145.03439	7.6
147.01357	1.2
147.05009	0.8
149.02956	1.1
155.01872	9.8
156.02057	0.5
157.03439	5.0
161.02934	53.1
162.03006	1.8
163.04506	1.2
167.01834	5.4
169.03439	3.1
171.05058	2.6
173.02939	20.2
175.04477	2.1
179.01855	2.3
179.03972	1.4
181.03482	0.7
184.04504	1.6
185.02924	32.5
186.03163	1.2
187.04529	4.4
191.03979	5.1
196.04486	0.9
197.02922	13.8
198.03029	0.5
199.04501	0.7
203.03929	13.9
204.04012	0.8
208.04497	1.0
209.02962	0.5
215.03952	8.0
216.04077	0.5
221.05042	1.7
227.03955	6.0
230.88551	0.8
233.05017	0.7
239.03949	0.6
245.05040	100.0
246.05177	4.8
248.89665	0.9
250.89348	1.0
257.05023	5.8
258.05353	0.6
260.27087	0.5
263.06094	26.3
264.06158	1.4
275.06091	13.2
276.06232	0.6
286.07623	1.0
293.07065	4.5
305.07126	10.5
306.07187	0.5
317.07166	0.8
324.82346	0.6
335.08191	4.4
365.09509	10.5
425.06900	0.9
425.11346	4.9
425.20190	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1136
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96552	2.2
68.98298	0.7
69.03405	1.4
70.06585	0.7
70.26283	2.7
74.81801	0.6
82.99808	1.4
84.07666	1.0
84.08132	10.5
85.02900	3.1
86.09686	0.8
97.02879	2.2
98.97564	2.8
101.00864	7.8
109.02842	0.8
113.00847	1.5
113.03464	2.1
116.98566	0.8
119.01910	25.4
120.01982	0.7
123.05482	0.7
125.93104	0.6
127.02419	1.3
127.03867	1.3
127.12280	4.2
128.98636	0.9
131.01883	8.5
133.03464	1.3
136.46167	0.7
137.02911	3.0
143.01877	25.3
145.03456	10.1
145.04749	1.0
146.99632	0.8
147.01347	1.5
147.05002	0.8
149.02985	1.1
150.34792	0.6
153.03905	0.6
155.01863	11.1
157.03444	6.1
158.99620	1.1
161.02937	52.5
162.03062	1.8
163.04440	1.0
167.01891	7.2
168.95999	0.6
169.03436	2.6
171.05016	3.0
173.02934	20.7
174.03084	1.5
175.04456	1.5
179.01877	2.5
179.03886	0.9
184.04576	1.1
185.02930	35.7
186.03148	1.0
187.04451	4.4
189.00702	1.0
191.03937	4.6
197.02934	14.4
199.04541	1.0
203.03983	19.0
205.00107	0.8
209.02898	1.6
215.03990	7.6
216.04155	0.9
217.00209	0.8
219.01691	1.5
221.05086	2.1
227.03952	9.1
228.04274	0.7
237.02789	1.1
239.03993	0.9
245.05040	100.0
246.05284	4.8
257.04990	5.6
263.06097	28.3
264.06448	0.9
275.06085	13.7
276.06259	0.7
281.01819	0.9
286.07584	0.8
289.07526	0.8
293.07285	3.3
305.01691	1.4
305.07068	11.6
317.07053	1.6
323.02777	1.4
335.08200	3.7
365.05194	1.5
365.09274	9.4
383.10315	1.0
425.11722	4.5
425.22067	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.3778
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36351	0.3
53.03932	1.0
55.05261	0.6
55.05506	9.3
57.03438	0.5
57.07069	6.4
65.03918	0.6
67.05495	18.5
68.05025	0.5
69.03426	4.2
69.07064	10.2
69.33780	2.1
69.34206	1.9
70.06586	1.1
71.04985	1.0
71.08622	3.8
79.05480	8.5
80.27887	0.3
81.03411	0.5
81.07047	18.8
83.04964	1.0
83.08142	0.4
83.08616	6.1
84.04486	0.9
85.10173	2.6
86.06058	11.7
87.04459	21.6
89.06012	0.4
91.05471	3.1
93.07034	15.9
95.04950	0.9
95.08598	19.5
97.06529	2.7
97.10165	3.3
97.26996	0.4
98.06028	0.4
99.08088	0.6
102.05507	0.8
104.07095	27.8
105.07029	1.3
107.08583	10.5
109.06512	0.5
109.10145	7.5
111.08072	0.8
111.11672	0.9
113.09616	0.9
115.11174	0.6
116.07101	0.6
117.07017	0.5
119.08564	0.6
121.06561	0.5
121.10123	7.7
123.11692	2.2
133.10106	0.4
135.11673	3.7
137.13269	1.0
149.13255	1.9
151.14798	0.8
155.14322	0.5
163.14801	1.1
177.16373	1.3
179.14365	0.5
184.07375	0.4
195.17502	0.9
201.12852	0.4
205.19437	0.5
219.21005	0.7
268.22748	1.7
269.74173	0.5
277.28802	0.5
303.30396	1.0
321.31683	2.3
336.59866	0.5
338.28940	0.5
395.11240	0.7
396.12247	0.4
409.12827	1.4
410.13922	0.5
422.13510	0.4
423.14481	0.9
424.15808	4.8
424.37796	100.0
425.16324	7.7
425.32617	0.4
425.38129	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	424.3626
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03913	2.2
55.01827	2.7
55.05500	15.1
57.03406	4.2
57.07066	79.3
61.54221	2.1
67.05493	38.9
69.03412	11.3
69.07056	22.4
71.04994	4.0
71.08616	58.9
71.57975	3.7
71.58379	2.3
71.94114	2.0
73.02911	3.3
74.06061	2.3
79.05479	15.5
81.03378	5.3
81.07042	44.1
83.08601	15.9
85.02865	3.2
85.06538	2.7
85.10165	38.9
86.06042	5.6
86.42245	2.5
87.04450	14.9
89.06010	100.0
89.56101	2.2
91.05450	10.4
93.07024	23.0
95.04929	2.3
95.08588	33.2
97.02879	26.6
97.06514	3.1
97.10148	11.4
99.04419	11.6
99.11710	10.7
104.07072	15.7
105.06975	6.0
107.07061	4.4
107.08530	11.1
109.02809	4.0
109.10147	15.8
111.11673	4.1
113.13280	4.8
119.08556	8.5
121.10129	12.3
123.11662	5.7
125.23174	2.3
127.03873	12.7
130.08636	3.7
131.08551	4.9
133.08575	60.8
133.10107	4.0
135.11664	7.0
137.13188	2.9
145.04929	5.2
147.04300	2.9
149.13239	3.0
151.09622	6.8
163.14719	2.8
171.11612	3.3
173.13251	2.8
177.11232	18.4
177.99564	2.3
184.07040	2.8
193.02740	2.7
195.12239	4.8
210.11261	2.3
221.13504	2.9
239.14832	69.8
245.22618	3.5
247.18077	2.2
263.23593	12.0
268.22644	5.4
301.27322	3.8
371.91910	2.5
378.26297	3.6
380.37708	13.1
407.28442	5.0
407.33609	78.4
407.38989	3.7
408.33813	3.5
424.31738	9.6
424.37094	43.5
425.30408	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	424.2173
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	3.1
55.01855	1.6
55.05490	2.2
57.03412	1.9
57.07040	1.0
61.02894	2.6
67.05476	1.8
69.03423	12.1
69.07048	1.9
70.06577	6.0
71.04990	4.5
71.62722	0.7
71.63148	1.3
72.08120	1.3
73.02881	2.7
73.20379	0.7
75.84642	0.9
79.05457	1.6
81.03400	15.1
81.07037	1.9
83.04967	1.5
83.08588	1.1
84.04472	1.3
84.08124	5.6
85.02888	67.2
86.03236	0.9
86.09696	4.9
87.04440	1.3
91.03915	1.3
91.05460	2.9
93.07005	2.6
95.04950	1.2
95.08573	2.2
97.02879	25.2
98.03200	1.0
99.04440	40.1
100.04703	1.0
101.02357	0.8
103.03924	93.5
104.04255	1.6
105.07007	1.7
109.02863	14.4
109.10153	1.4
111.08051	2.0
115.03886	1.8
116.07106	0.8
119.08505	1.6
120.08034	2.1
121.10110	1.0
126.12750	3.8
127.03896	100.0
128.04210	1.9
128.10664	1.1
129.10149	1.1
136.07553	1.8
137.05937	1.7
139.07516	2.4
145.04935	60.0
147.97914	0.8
157.08623	2.1
162.23030	0.8
163.05989	65.1
171.11513	0.8
177.09175	1.0
187.06000	3.3
194.12529	1.0
205.06984	4.3
216.04109	3.1
224.04654	2.2
227.06989	2.1
227.12790	1.3
231.06537	4.7
239.07033	4.3
244.10555	1.1
246.04716	1.1
253.07014	1.9
258.06888	1.1
261.11145	1.0
262.11548	2.1
268.03629	2.0
268.40433	0.9
269.13754	4.2
271.08084	7.9
277.08643	1.3
283.06012	8.3
287.07156	1.7
287.14764	0.9
288.07690	1.9
289.09097	6.8
305.07935	1.8
307.10172	12.5
319.09579	1.1
321.07544	1.8
331.09467	2.1
333.07367	2.2
346.08228	2.4
347.08987	2.3
348.09952	2.5
361.10541	4.8
363.12177	2.9
389.18042	1.7
392.08740	0.9
406.25555	1.4
407.11221	18.1
424.26480	2.4
425.12109	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	424.2168
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	6.1
57.07069	1.1
67.05492	2.0
69.03407	3.8
69.07060	5.2
70.06577	4.0
70.70948	1.1
70.71298	2.9
71.04978	2.0
79.05471	3.6
81.07046	4.7
83.04977	1.4
84.08099	1.1
85.02896	3.1
85.06519	3.5
86.09692	1.2
90.60281	1.0
91.05480	1.6
93.07031	8.0
95.04941	1.1
95.08609	6.7
97.06541	4.6
99.04426	5.2
105.06998	7.1
107.08575	22.8
109.06498	5.8
109.10180	1.0
111.08057	1.4
113.05976	2.4
119.08578	2.1
121.06487	4.8
121.10108	6.5
123.08046	3.5
135.08067	1.5
135.11674	3.6
139.11134	1.0
145.04993	1.0
145.10094	5.9
149.09621	2.7
151.07544	3.3
153.12741	1.1
153.56213	1.1
163.11160	18.2
167.10664	8.2
167.95641	0.9
169.08571	59.7
170.08902	1.7
173.09627	1.7
178.47127	0.9
181.12219	11.7
185.11694	4.8
191.10625	7.7
209.11705	10.9
227.12740	100.0
228.13126	3.6
235.76013	1.1
245.13834	3.9
410.18347	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3098
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.3
55.01873	2.9
55.05502	10.2
57.03430	2.9
57.07069	5.2
65.03915	1.5
67.05495	18.1
69.03424	5.8
69.07060	15.6
70.14585	3.9
70.14979	3.1
71.04996	1.7
71.08623	2.9
71.61643	1.3
79.05488	12.1
81.03407	4.2
81.07047	21.2
83.04990	1.9
83.08629	5.9
85.02906	2.6
87.15451	1.2
89.06024	4.3
89.15088	1.3
91.05473	9.1
93.07035	15.8
93.39410	1.4
95.05016	3.1
95.08596	21.9
97.02937	2.8
97.06527	3.5
97.10152	1.8
105.07007	13.3
107.08588	13.2
109.06525	6.3
109.10145	10.0
111.04418	1.5
116.02959	1.4
117.07054	4.0
119.08558	13.3
121.06533	2.4
121.10121	11.0
123.08055	38.1
123.08931	2.0
123.11676	3.5
124.08449	1.6
128.06233	1.9
129.06999	3.4
131.08577	6.8
133.10124	8.0
135.08017	8.2
135.11710	4.6
137.09647	3.5
137.13255	2.2
143.08539	3.5
145.10129	8.6
147.08080	1.9
147.11723	6.4
149.09657	2.8
149.13303	3.5
151.07552	2.1
151.11166	1.5
157.10091	3.2
159.11652	8.3
161.13318	3.0
163.11200	2.5
165.09174	3.0
169.10136	1.6
171.11734	3.5
173.13292	2.4
175.11263	1.7
175.14845	2.9
177.12727	3.3
179.14314	14.7
198.06738	1.6
209.13420	1.4
213.09251	1.6
221.15366	1.9
226.06316	2.2
227.07124	5.3
239.14996	2.2
241.08728	1.8
259.20749	2.0
261.22141	2.1
269.08047	4.3
275.20135	5.0
293.21094	3.5
303.23138	2.5
303.26822	3.9
331.26257	21.2
349.27533	6.3
367.24841	2.2
369.24081	3.3
379.33780	9.2
387.25449	5.6
395.25830	5.1
405.26361	4.3
423.25787	4.3
423.31195	100.0
423.36728	18.7
424.31613	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	423.3097
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19509	0.5
52.04845	0.4
53.03922	1.1
55.01858	2.2
55.05501	6.1
57.03428	2.9
57.07066	4.8
58.60875	0.5
60.38133	0.5
65.03931	0.6
67.05493	15.4
69.03422	2.3
69.07053	6.6
70.15032	1.8
71.04975	2.6
71.08618	3.5
73.02892	1.2
73.06516	0.5
77.31334	0.4
79.05053	0.9
79.05480	12.1
80.05801	0.7
80.49123	0.5
80.88120	0.4
81.03382	2.1
81.07041	20.9
82.07374	0.5
83.04948	1.4
83.08611	3.2
84.11082	0.5
85.02872	0.6
85.06522	2.2
90.60301	0.4
91.05467	7.7
93.07027	15.2
95.04934	2.1
95.08593	16.4
97.02874	17.2
97.06494	1.5
97.10152	1.6
99.04431	8.0
99.08060	2.0
103.05439	0.5
105.07006	6.9
107.08564	9.4
109.02872	2.5
109.05769	1.0
109.06499	15.3
109.10131	6.9
111.08036	1.2
114.82890	0.5
117.06978	2.0
119.08559	6.9
121.06475	0.8
121.09309	0.6
121.10124	8.4
122.07254	1.6
123.08048	27.2
123.11658	2.9
127.03887	4.7
131.08565	3.2
133.10112	5.4
135.08028	6.0
135.11656	5.4
137.09578	2.1
137.13245	1.0
139.11203	0.8
145.04984	2.7
145.05949	0.4
145.10112	4.0
147.11674	3.2
149.09622	2.5
149.13242	3.1
151.14806	0.7
159.11670	3.4
161.13142	2.2
163.11179	0.7
163.14734	1.4
165.12711	1.2
167.14285	1.4
173.13225	2.5
173.61505	0.5
175.14821	1.0
177.12692	1.4
177.16376	0.8
179.14279	71.7
180.14612	2.1
187.14778	1.4
189.16434	0.5
191.14243	1.1
193.15822	2.5
205.15816	3.2
219.17465	0.7
233.18938	0.9
243.21056	0.9
259.20715	0.6
261.22092	5.0
275.20050	1.5
303.26794	1.7
331.26248	24.1
332.26663	0.9
349.27325	5.8
364.81631	0.5
367.24905	0.8
379.33951	1.1
405.30045	1.5
423.30997	100.0
424.31256	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	423.3096
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26099	0.6
53.03941	1.4
53.87827	0.6
55.01854	2.4
55.05498	6.7
57.03415	2.5
57.07063	3.0
65.03924	0.9
67.05162	1.0
67.05495	15.8
69.03421	5.6
69.07051	7.8
70.23017	2.8
71.04988	3.2
71.05351	0.7
71.08611	2.1
73.02897	1.5
75.04488	0.7
77.84216	0.6
79.05479	10.5
81.03402	5.6
81.07042	20.4
83.04974	1.6
83.08594	3.4
85.02902	1.3
85.06528	1.5
86.81058	0.6
87.04431	0.7
91.05453	8.6
93.07026	13.1
95.04960	1.5
95.08584	14.3
97.02867	8.8
97.06512	2.1
97.10140	1.6
97.11887	0.6
99.04439	7.7
99.08110	1.3
105.07018	6.3
107.08575	9.0
109.02861	4.4
109.06492	10.2
109.10145	6.9
111.08063	1.3
117.06993	1.8
119.01475	0.6
119.08562	6.4
121.06492	1.5
121.10112	7.3
122.07254	0.9
123.08044	32.4
123.11676	2.4
124.08383	0.9
127.03893	10.2
127.04795	1.0
129.06992	0.7
131.08554	4.2
133.10092	5.4
134.78557	0.6
135.08014	7.3
135.08813	0.6
135.11646	5.5
137.09578	2.1
143.08522	1.1
145.04985	1.0
145.10083	4.6
147.11647	3.0
149.09589	3.9
149.13228	2.9
151.11205	0.9
157.10114	1.1
159.11639	3.3
161.13235	2.1
163.11151	1.1
163.14778	0.7
165.12733	0.8
167.14270	0.8
169.10100	0.6
173.13264	1.8
175.11243	0.6
175.14876	0.9
177.12671	3.1
177.16475	0.6
179.14275	32.0
180.14540	0.8
185.13249	1.1
187.14911	1.0
191.14308	1.0
193.15944	0.9
199.14903	0.7
205.15759	2.9
213.12689	0.7
215.07043	0.7
218.04730	0.9
231.06540	0.8
232.06995	1.1
233.07146	1.1
244.59566	0.6
247.20541	0.8
258.14792	0.7
259.20462	1.2
261.21991	3.1
275.20023	4.3
277.21860	0.7
289.21664	0.8
289.25684	0.6
289.75424	0.7
303.26669	3.9
329.46756	0.7
331.26236	26.2
332.26694	1.2
349.27301	1.1
367.24930	1.8
369.24271	0.7
379.34048	1.8
387.25272	0.9
423.31021	100.0
423.35944	4.4
424.31390	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	423.2733
Annotation	spinosyn macrolactone
Peak:m/z	Relative Intensity
53.03937	11.6
55.01851	8.4
55.05508	37.8
57.03427	6.3
57.07064	15.4
67.05491	75.9
69.03421	34.7
69.07055	45.6
71.04977	10.8
71.08608	9.7
71.58279	8.4
79.05476	53.1
81.03396	46.8
81.07037	100.0
83.04950	12.1
83.08598	21.6
85.02895	15.4
85.06488	8.6
89.05997	13.1
91.05472	50.2
93.07011	68.3
95.04947	18.3
95.08591	82.4
97.02872	17.1
97.06525	11.2
97.10152	12.1
99.04417	6.5
100.93029	4.9
103.03908	6.9
105.07023	51.0
107.08559	46.3
109.02855	8.0
109.06513	19.3
109.10111	35.9
111.04446	15.8
111.08053	7.2
111.11675	8.1
117.07003	29.5
119.08556	43.7
119.09296	7.8
121.06471	8.7
121.10103	38.3
123.08070	14.1
123.11688	12.3
125.09616	5.6
127.03911	5.2
129.05409	5.5
129.06993	15.1
131.08543	41.0
133.06499	7.0
133.10118	30.6
135.08035	13.1
135.11641	27.5
137.09601	8.2
139.11177	8.0
143.08510	10.8
145.10101	30.3
147.08081	7.6
147.11638	27.1
149.09456	5.9
149.13249	15.2
157.10088	9.1
159.11649	29.9
161.13217	18.4
163.11162	5.8
169.02438	5.5
169.10068	12.3
171.11653	15.7
173.13252	16.1
175.11171	7.2
175.14767	8.5
179.14398	8.7
183.11670	7.7
185.13222	11.8
187.11121	6.7
189.12630	6.8
197.13298	7.5
201.16415	5.6
215.14304	6.0
221.15308	7.9
229.86684	6.4
235.16986	5.9
259.20544	9.8
261.22171	18.7
277.21716	10.2
291.23178	12.1
292.14111	5.5
303.23074	22.3
311.25952	9.3
315.23135	8.2
319.22595	7.3
327.23273	9.4
351.23224	9.2
369.24185	38.4
379.37650	11.7
387.25037	46.4
405.26215	39.3
423.27460	28.1
423.40240	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	423.2735
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	7.1
55.01615	1.4
55.01861	7.1
55.05506	16.3
56.96549	2.9
57.03428	7.2
57.07064	3.5
65.03928	2.7
67.05493	55.3
69.03419	13.5
69.07053	13.6
70.59722	4.6
71.04984	8.6
71.08607	1.7
73.02902	4.3
76.51907	1.3
79.05482	50.5
81.03399	12.3
81.07047	56.0
83.04967	3.4
83.08620	7.3
85.02419	1.5
85.02898	5.9
85.06496	1.7
89.06042	1.9
91.05463	27.0
93.07028	51.3
95.04951	5.9
95.08600	44.7
95.09225	1.6
97.02878	76.4
97.06490	2.9
97.10165	3.6
99.04441	37.3
103.03952	1.7
103.46865	1.8
105.07013	20.8
107.04922	2.1
107.08592	27.8
109.02883	9.1
109.06472	3.1
109.10139	21.0
111.04414	2.1
111.08122	1.6
113.09674	1.9
115.03902	1.8
115.05447	1.7
117.06991	10.2
119.08575	17.8
121.06465	2.1
121.10128	31.3
123.08087	3.8
123.11682	6.8
125.09652	1.4
127.03894	23.6
128.06210	4.5
129.05511	2.1
129.07021	15.4
131.08556	22.5
133.10114	12.7
135.08064	2.0
135.11671	17.7
137.13261	3.6
143.08539	3.2
145.04953	13.7
145.06436	2.2
145.10124	13.2
146.10484	1.3
147.08101	3.1
147.11668	11.0
149.09601	1.8
149.13232	13.1
157.06520	2.2
157.07690	1.8
157.10144	1.7
159.08031	15.2
159.11655	10.8
161.13275	9.2
163.14812	4.0
171.11644	2.5
172.05229	5.2
173.13222	11.4
175.14807	2.4
177.12752	2.2
179.14282	2.3
183.11731	2.0
185.13251	3.0
187.07518	47.7
187.14767	4.0
188.07761	1.7
189.12778	2.2
189.16254	1.9
191.14235	1.8
192.16489	1.4
200.04659	13.6
201.16431	2.4
205.08592	2.2
205.15852	1.7
215.05345	1.1
215.06998	99.7
216.07391	5.8
233.08060	100.0
234.08382	5.6
243.21021	4.4
259.20587	3.5
261.22119	27.1
272.97861	1.6
277.21646	1.8
279.23114	1.8
289.14746	5.2
291.23248	2.7
303.23254	2.7
307.15710	4.6
315.23083	1.8
319.22562	1.7
350.16705	1.7
351.22971	2.8
363.18448	1.6
369.24149	6.0
387.25189	8.5
405.26349	7.6
406.26489	1.6
423.17947	29.8
423.27374	5.7
423.31952	2.2
423.36533	2.8
424.18219	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2734
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	2.4
55.01848	2.5
55.05507	9.6
57.03414	2.9
62.47007	1.2
65.51400	1.2
67.05164	2.0
67.05492	25.8
69.03418	9.9
69.07059	10.9
69.84527	8.0
71.04947	1.9
71.89944	1.1
73.02882	1.7
79.05048	1.8
79.05478	20.2
81.03407	13.4
81.07041	27.8
83.04971	3.1
83.08595	3.8
85.02861	4.8
85.06519	1.9
91.05467	17.0
93.07025	22.4
95.04943	5.3
95.08594	21.4
97.02868	4.7
97.06518	3.4
97.10107	1.7
99.04407	2.3
99.08017	1.5
103.03940	2.1
105.07008	16.5
107.04941	2.5
107.08561	13.9
109.02827	2.1
109.06475	5.0
109.10133	12.4
111.04391	3.5
111.08062	1.8
112.30570	1.2
117.06977	10.2
119.08556	14.5
121.06479	3.0
121.10126	12.8
123.04430	1.1
123.08047	5.2
123.11691	4.6
125.09595	2.4
127.03889	2.7
128.06200	4.9
128.45155	1.2
129.06981	14.6
131.04959	1.9
131.08537	13.7
133.06468	2.0
133.10100	11.7
135.08032	3.3
135.11690	9.2
137.09517	1.5
137.13229	1.4
139.11130	1.9
141.06985	2.0
142.07681	1.3
143.08556	6.0
145.06442	2.4
145.10086	10.5
147.08009	5.2
147.11656	9.9
149.09546	3.1
149.13187	3.7
151.11154	1.2
155.08472	2.6
157.06462	2.1
157.10077	6.6
159.08025	10.4
159.11670	8.4
161.09604	1.6
161.13222	6.5
163.07504	1.9
163.14781	2.8
167.08575	1.8
169.10165	3.0
171.08008	1.7
171.11627	3.8
172.05168	4.3
173.11913	1.3
173.13148	6.0
175.07504	1.9
175.14803	2.5
177.12743	2.3
179.14296	3.3
183.11620	2.1
185.09637	1.8
185.13242	3.4
187.07512	43.4
187.11061	1.4
187.14774	2.9
188.07788	1.4
189.12708	1.8
197.13116	2.4
199.14792	3.5
200.04691	8.9
201.12686	2.2
205.08479	1.5
209.13159	1.4
215.06984	84.7
216.07257	3.8
225.12738	1.2
233.08041	100.0
234.08360	4.9
241.19386	1.9
243.21107	2.1
245.19162	1.2
257.18677	1.3
259.20563	3.4
261.22043	5.3
277.21548	2.2
279.23065	1.7
282.18948	1.4
285.21863	1.8
289.21442	1.8
291.23087	4.1
301.21524	1.8
303.23044	5.6
303.26254	1.5
308.17068	1.2
315.23245	2.8
319.22543	3.4
327.22977	3.0
341.24747	4.5
345.24203	3.1
351.23135	5.0
369.24258	12.6
379.34000	1.3
387.25308	16.1
405.26218	16.2
423.17996	26.4
423.26407	7.1
423.36575	3.1
424.18423	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2733
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	5.3
55.01871	8.5
55.05504	17.7
57.03433	6.2
57.07057	4.4
60.14830	1.4
65.03942	1.8
67.05493	46.0
68.61265	1.1
69.03420	19.3
69.07064	13.0
69.44518	5.3
69.44952	6.1
71.04980	7.2
71.08624	1.5
73.02909	4.6
79.05482	32.7
81.03405	19.5
81.07043	49.9
83.04972	3.5
83.08614	5.9
85.02894	4.6
85.06516	2.1
88.62154	1.3
91.05464	20.3
93.07026	40.1
95.04953	3.8
95.08589	37.2
97.02872	39.3
97.06527	3.8
97.10162	3.2
98.21520	2.8
99.04448	32.9
99.08066	2.4
105.07024	17.3
107.08579	22.6
109.02866	14.1
109.06516	10.8
109.10137	18.0
111.04420	2.3
111.08063	2.5
117.07003	5.3
119.08562	17.1
121.10116	21.8
123.08051	37.0
123.11712	7.8
127.03893	39.7
127.04780	2.4
131.08545	12.2
133.10095	12.6
135.08072	6.1
135.11673	16.7
137.09615	3.9
137.13251	3.5
143.08511	2.4
145.04932	6.3
145.10088	9.5
147.11642	7.5
149.09648	3.0
149.13205	8.1
157.10156	2.2
159.11659	9.7
161.13235	8.2
163.14835	2.6
165.12715	2.1
173.13193	7.1
175.14848	2.8
177.12761	3.9
179.14285	24.9
187.14838	2.7
241.19473	1.9
243.21019	2.9
247.20924	1.7
259.20572	3.5
261.22116	20.2
275.20175	4.4
293.21112	3.4
303.26810	2.7
329.24728	1.7
331.26294	22.2
339.23129	2.1
349.27438	5.7
353.27246	1.6
357.24179	2.8
405.26343	1.9
423.31107	100.0
424.31454	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	423.2731
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	7.9
53.67590	2.8
55.01853	9.1
55.05503	33.4
57.03418	9.4
57.07060	7.3
65.03924	3.4
67.05494	87.2
69.03421	35.1
69.07058	27.7
71.01345	5.0
71.04970	9.9
71.63615	3.6
73.02914	4.8
79.05000	2.8
79.05476	77.9
81.03407	43.5
81.07040	100.0
83.04977	14.1
83.08172	2.3
83.08602	15.6
85.02885	16.4
85.06496	6.0
87.04457	5.7
91.05465	56.7
93.07027	86.2
95.04940	14.7
95.08587	80.9
97.02872	13.3
97.06503	9.9
97.10153	9.2
97.24319	2.3
99.04435	9.7
103.03915	6.5
105.07013	53.9
107.04926	9.8
107.08574	47.9
109.02863	4.7
109.06501	14.1
109.10127	31.0
111.04398	9.1
111.08028	5.9
115.05461	3.6
117.06989	31.7
119.08562	50.8
121.06465	8.6
121.10126	39.2
123.04448	2.8
123.08031	12.2
123.11677	11.0
125.09557	3.8
127.03912	6.4
128.06200	6.9
129.05476	5.3
129.06996	16.0
131.08539	37.1
133.06464	7.3
133.10098	34.0
135.08006	7.3
135.11668	27.8
137.09589	7.6
139.11209	3.2
141.06938	3.7
143.08568	17.0
145.04997	3.2
145.06432	7.2
145.10094	31.6
147.08028	10.0
147.11658	28.7
149.09590	4.2
149.13205	17.2
151.07593	3.3
155.08521	9.2
157.06418	4.4
157.10063	17.2
159.08026	8.4
159.11691	30.4
161.05943	3.1
161.09593	4.5
161.13281	17.0
163.11119	3.4
163.14792	8.1
165.09039	4.0
165.12772	3.0
167.08595	3.3
169.10100	9.0
170.64037	2.6
171.07996	3.4
171.11641	11.6
173.09589	3.3
173.13220	19.6
175.11214	5.6
175.14807	9.4
177.12732	6.9
179.14331	9.7
181.10210	5.8
183.11710	8.9
185.09517	3.8
185.13216	9.2
187.07520	11.4
187.11166	3.4
187.14792	8.8
189.12691	3.9
191.10600	4.4
195.11729	5.4
197.13225	5.5
199.11124	4.8
199.14745	7.0
201.12737	2.9
201.16304	4.2
205.15865	2.5
209.13264	3.5
213.12579	4.4
213.16351	3.9
215.06978	21.5
215.14354	2.8
231.06505	3.3
231.13744	2.9
233.08058	23.7
235.16963	3.3
239.18004	2.5
241.19461	5.2
243.21054	6.4
249.14731	5.7
259.20615	18.0
261.22046	24.7
271.20554	3.3
273.22165	2.4
275.20267	4.8
275.23569	3.5
277.21661	9.3
283.20404	2.6
285.22250	2.9
289.21664	7.0
291.23267	5.1
301.21469	4.4
303.23132	15.6
315.23068	5.4
318.33792	2.6
319.22491	5.2
323.23798	4.1
327.23132	5.2
331.22687	3.0
331.26248	4.7
341.24612	9.5
345.23996	5.6
351.23160	9.6
357.24368	4.7
359.25949	5.9
369.24103	37.1
378.33698	3.8
379.33978	42.5
387.25235	30.4
405.26315	39.8
422.51334	2.4
423.17941	10.6
423.26553	27.2
423.31619	9.9
423.36304	57.7
424.34302	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2734
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34841	1.3
53.03927	9.2
55.01867	11.9
55.05252	2.2
55.05502	30.2
57.03418	5.7
57.07054	6.1
59.04982	2.1
65.03925	4.1
67.05494	89.6
69.03419	23.5
69.07056	21.9
69.28064	18.0
71.01337	3.5
71.04975	11.0
73.02892	5.0
73.92976	1.5
77.03899	2.0
79.05481	88.6
81.03410	25.8
81.07043	97.1
83.04945	5.2
83.08601	10.0
85.02885	8.5
85.06509	3.1
91.04888	1.9
91.05466	53.9
93.07030	100.0
95.04964	11.4
95.08591	79.3
97.02876	99.1
97.06502	4.8
97.10138	5.6
98.03194	1.9
99.04441	31.1
101.02377	3.5
103.05493	1.6
105.07019	34.9
107.04901	2.7
107.08574	55.7
109.02875	19.0
109.06482	6.0
109.10138	32.6
109.10727	0.9
110.10505	1.3
111.04430	3.4
111.08070	5.2
111.11692	2.1
113.09621	2.1
115.05386	1.5
117.07011	17.9
119.04882	1.7
119.08563	37.0
121.06506	2.2
121.10121	57.6
122.10492	2.1
123.08027	4.1
123.11684	14.6
125.05988	1.5
125.09622	2.0
127.03897	48.2
129.06972	6.5
131.04909	4.6
131.08542	29.3
131.97420	1.5
133.06477	2.5
133.10126	28.1
135.08017	3.3
135.11673	34.5
137.05911	1.8
137.09621	3.4
137.13216	4.0
139.11148	2.4
143.08543	3.8
145.04974	7.4
145.06508	6.8
145.10110	22.6
147.08000	1.7
147.11662	23.3
149.09616	3.5
149.13229	19.9
151.11125	2.3
155.08543	2.1
157.10114	4.8
159.07959	2.7
159.10437	1.7
159.11685	24.4
161.09575	2.8
161.13220	15.1
163.11130	2.4
163.14819	6.8
165.12791	1.6
167.14261	1.7
169.10068	3.1
171.08020	2.5
171.11681	3.7
171.71678	1.4
173.09590	5.4
173.13216	14.5
175.14812	5.8
177.12779	1.9
177.16364	2.2
179.14212	3.7
181.10089	1.5
183.11603	3.2
185.09529	1.8
185.13176	4.3
187.11179	1.8
187.14801	7.4
189.12791	2.3
189.16400	3.2
191.10555	2.8
197.13196	2.7
199.14755	3.3
201.16371	4.8
209.13290	2.5
213.12747	1.9
215.14175	2.2
215.17795	2.1
243.21080	10.8
259.20569	10.8
261.22095	58.5
262.22372	1.5
269.22540	1.7
273.22049	4.6
277.21735	1.8
285.22229	1.6
287.23657	4.1
311.23618	2.8
313.21741	1.7
320.35883	1.7
321.22229	2.3
327.04135	1.6
329.24689	6.8
339.23050	9.6
357.24323	15.0
369.24231	3.8
371.00000	1.6
379.33932	2.8
387.25168	2.3
405.26260	1.7
423.26706	7.1
423.36511	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	423.2734
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	7.1
55.01856	7.0
55.05497	34.6
56.73967	3.1
57.03412	10.1
57.07064	7.3
65.03922	7.1
67.05492	97.2
69.03418	33.1
69.07061	44.7
71.04963	12.0
79.05060	4.6
79.05482	66.4
81.03402	41.6
81.07043	95.1
81.53904	3.2
83.04959	15.3
83.08607	16.3
85.02904	19.9
85.06534	6.3
87.04455	3.7
91.05463	65.7
93.07026	76.4
95.04958	22.9
95.08585	77.5
97.02882	16.6
97.06514	12.4
97.10153	7.4
98.21511	6.2
99.04433	10.5
99.08043	6.9
103.03903	4.5
105.03377	3.6
105.07011	73.4
107.04938	15.1
107.08570	48.8
109.02851	9.7
109.06490	19.1
109.10137	35.7
111.04411	15.4
111.08028	7.1
115.03901	4.2
115.05368	4.8
117.06985	32.7
119.08561	49.3
121.06462	13.2
121.10117	36.7
123.04419	5.5
123.08029	25.5
123.11678	12.0
125.09624	5.3
127.03837	8.8
128.06154	9.0
129.05460	8.4
129.07005	24.4
130.07750	6.1
131.04912	4.6
131.08530	43.6
133.06483	5.1
133.10100	45.0
135.04407	10.1
135.08015	9.7
135.11633	28.6
137.05939	4.5
137.09583	10.9
139.11130	3.3
141.06895	6.4
142.07776	3.9
143.08514	23.7
145.06436	8.3
145.10097	42.6
147.08000	11.9
147.11644	29.9
149.05948	11.6
149.09610	6.3
149.13206	14.6
151.07597	5.4
155.08531	10.7
157.10103	15.1
159.08031	11.6
159.11668	27.2
161.13287	17.5
163.11147	11.2
163.14810	9.2
165.09094	3.7
165.12714	3.8
167.08452	4.2
169.10106	10.3
171.08124	4.1
171.11667	12.6
173.09572	15.7
173.11937	3.9
173.13206	20.2
175.11169	6.6
175.14818	8.5
177.12709	6.8
177.16263	5.0
179.03426	6.5
179.08513	4.5
179.14320	31.6
183.11630	5.4
185.13248	10.3
187.07492	32.5
187.14778	10.5
191.10645	100.0
192.10980	6.1
195.11736	4.2
197.13158	6.8
199.11250	3.7
199.14813	6.2
200.04671	5.9
201.12706	4.4
203.10622	3.9
211.14854	6.7
215.06998	68.1
215.14192	3.9
216.07434	4.1
233.08031	97.5
234.08345	4.3
243.21022	6.5
259.20569	11.0
261.22101	20.9
273.21936	5.8
275.20227	5.1
277.21558	9.6
285.22079	5.4
289.21671	7.6
291.23239	4.8
301.21588	7.5
303.23093	22.1
311.19867	5.4
313.21744	6.2
315.23221	9.3
319.22568	5.0
323.24014	3.3
327.23065	6.8
331.22632	6.2
331.26279	13.7
333.17490	4.7
341.24707	9.3
345.24155	7.6
349.27280	5.8
351.23203	13.7
358.44720	3.5
359.25360	5.0
369.24124	30.4
370.24127	3.7
387.25214	51.3
388.26010	4.5
405.26218	54.5
406.26236	4.1
423.18152	28.6
423.26837	24.8
423.31085	42.9
423.36530	12.5
424.18530	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	423.2523
Annotation	Unknow
Peak:m/z	Relative Intensity
54.45935	1.1
55.05503	11.6
57.07064	8.1
57.86354	1.1
64.83897	1.1
67.05495	10.4
69.03393	1.2
69.07053	11.0
70.15524	3.4
71.08621	4.7
74.19355	0.9
79.05496	2.1
81.07033	13.3
83.08604	6.4
85.10165	2.8
86.09682	1.3
91.05476	1.8
93.07035	2.9
95.04934	1.0
95.08601	17.7
97.10149	3.6
100.99266	1.0
105.06984	1.8
107.08572	1.5
109.10130	6.4
111.63609	0.9
115.05439	1.8
117.07049	1.3
121.10130	1.8
123.08063	1.1
123.11696	1.6
128.06223	2.5
129.07018	3.9
132.31984	1.2
141.06973	5.5
142.07764	1.1
143.08539	3.3
145.06453	1.1
147.10060	1.0
153.07010	1.6
155.04916	1.6
155.08635	1.7
157.06487	2.0
161.05969	3.6
165.07057	1.2
167.08548	2.3
168.05701	2.1
169.06406	5.5
170.07211	1.2
171.04428	2.3
171.08005	12.2
173.05994	1.6
175.03883	1.6
178.07697	1.4
179.08546	1.2
181.06458	8.6
182.07262	4.0
183.04401	3.2
183.08008	2.2
183.54935	1.0
184.05194	7.8
185.05957	7.2
185.09680	2.3
186.03102	6.7
187.07510	2.2
193.06468	1.9
194.07402	1.4
195.04466	1.2
195.08076	5.2
196.05263	1.3
197.05890	7.3
198.06754	14.4
199.03868	8.8
199.07487	16.2
200.04620	7.2
200.07881	1.1
201.05434	30.6
201.09062	1.1
202.02626	1.5
203.03343	7.3
205.04924	1.7
207.08044	1.3
207.77795	0.9
208.05199	1.2
209.05966	9.6
210.06760	4.4
211.03932	1.7
211.07475	7.1
212.04672	20.3
212.08267	3.9
213.05452	27.0
213.09024	11.8
214.06183	8.4
215.06999	21.5
215.10474	1.1
217.04945	5.7
219.07936	1.4
221.05922	6.3
222.06766	4.5
223.03896	3.0
223.07396	6.2
224.04700	2.3
224.08286	2.0
225.05463	10.7
225.08995	7.5
226.06203	15.4
227.06992	57.7
227.10675	2.4
228.07706	9.2
229.04977	9.1
229.08473	5.8
231.06543	1.8
235.07503	3.3
236.04764	1.5
236.08356	1.2
237.05403	5.4
237.09129	4.0
238.06224	6.2
239.03268	1.9
239.07016	5.7
239.10628	4.0
240.07811	3.6
241.04956	2.1
241.08560	37.4
242.09106	2.3
243.06558	3.6
243.10057	1.1
249.05405	1.9
249.09090	2.7
250.06299	3.4
250.09756	1.3
251.06932	5.2
251.10683	2.9
253.04951	7.2
253.08601	14.6
253.12161	2.5
254.05672	5.5
255.06461	7.1
255.10210	7.1
255.12590	1.2
257.08032	2.6
263.07306	1.0
263.10739	2.4
264.07748	1.6
265.08554	7.0
265.12271	1.1
267.06531	1.3
267.10184	4.9
267.13785	1.0
268.07382	2.2
269.08057	78.0
270.08450	2.6
271.09644	1.9
279.10165	3.0
281.11646	6.3
283.09567	6.0
293.11694	2.9
307.13336	1.6
331.26611	1.1
349.21616	1.7
363.23212	1.6
364.56653	1.0
366.21887	1.8
377.24710	3.6
379.22375	8.7
379.26276	1.6
380.23477	4.9
381.24200	18.9
382.24100	1.0
391.22659	1.7
395.25760	58.6
396.25851	2.9
405.24222	21.2
423.25272	100.0
423.30511	4.4
424.25626	7.4
444.10193	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2005
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81893	1.2
53.03930	3.6
53.46848	1.4
53.86408	1.2
55.05494	7.5
57.07053	1.9
58.69948	1.0
67.05492	14.9
69.03407	5.9
69.07054	9.4
70.06568	3.3
71.04978	2.4
71.62701	1.5
71.63127	1.1
77.03893	1.0
78.34820	1.2
79.05465	4.7
81.03406	15.7
81.07053	14.6
83.04980	10.3
83.08597	3.9
84.08119	2.0
85.02905	1.7
85.06544	2.0
86.09720	1.3
87.00828	1.5
87.04456	1.3
87.98193	1.0
91.05482	5.4
93.07036	8.9
95.04957	3.2
95.08031	1.9
95.08599	21.3
95.78562	1.0
96.91695	1.2
97.02882	100.0
97.06510	3.3
98.98470	1.4
99.08075	2.5
104.07051	2.0
105.07008	7.5
107.04972	1.3
107.08591	12.6
109.02872	29.1
109.06506	6.5
109.10143	65.6
110.10512	1.4
111.08069	2.5
113.09564	1.1
117.07001	1.2
119.08572	27.1
120.08069	1.8
121.10131	8.8
123.04411	3.6
123.08057	10.7
123.11732	5.6
125.09633	1.2
127.03905	33.8
129.10173	1.6
131.08540	1.9
133.10118	13.0
135.11676	66.9
136.11989	1.4
137.09604	10.8
142.68463	1.1
145.05003	1.1
145.10139	1.2
149.13239	6.1
151.03928	1.3
151.11176	7.1
151.14769	6.8
153.12727	1.1
157.10060	1.2
159.11647	1.5
165.16331	2.3
175.14806	29.9
193.15863	55.9
194.16118	1.5
211.16895	43.8
213.03912	10.9
260.09949	1.1
301.18021	1.3
372.47614	1.3
405.18835	1.4
423.06750	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1796
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51982	0.3
53.03918	0.4
53.95180	0.3
55.05472	0.4
56.24036	0.3
56.96545	0.9
58.68233	0.3
67.05473	1.2
69.03417	0.3
69.07034	0.6
70.51102	1.2
79.05452	0.8
81.03407	0.4
81.07024	1.2
83.05675	0.3
91.05484	1.6
93.07005	1.3
95.04921	0.4
95.08543	0.8
105.07000	1.0
107.08539	0.3
109.10062	0.4
115.05434	0.4
116.06246	0.5
116.95993	0.3
117.06970	0.4
119.08530	0.4
121.10150	0.5
128.06203	4.8
129.06987	9.9
131.04877	1.1
131.08553	2.9
141.06952	0.8
143.08534	0.5
144.05664	1.8
145.06409	0.7
145.10126	0.4
145.80185	0.3
147.07993	2.1
155.06018	0.7
157.06439	1.3
157.07597	1.0
159.08032	10.8
172.05164	4.5
173.05992	1.8
179.14316	0.5
185.05984	1.3
187.07518	46.2
188.07825	1.1
191.10583	0.8
200.04657	11.2
205.04851	1.5
205.08560	1.9
215.06995	90.6
216.07339	2.2
233.08049	100.0
234.08377	3.4
289.14719	2.9
307.15701	3.0
330.17261	0.5
363.18408	0.7
378.33615	0.7
379.34109	0.9
422.35959	0.4
423.17966	27.9
423.30695	1.0
423.36612	1.3
424.18250	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1797
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56254	0.4
53.03937	0.9
55.01865	0.5
55.05506	0.8
57.07066	6.9
67.05508	2.7
69.07036	0.7
69.94616	2.3
71.04980	3.3
79.05481	16.7
81.07042	1.5
85.06536	4.5
91.05467	13.0
93.07016	3.3
95.04964	0.8
95.08590	1.0
103.05455	4.1
105.03382	2.3
105.04496	0.5
105.07018	7.1
107.04945	6.5
107.08559	1.1
109.10152	1.0
115.05451	0.4
116.06194	0.6
116.90229	0.4
117.07013	3.0
119.08562	1.7
121.06467	2.7
128.06181	2.6
129.06996	4.0
130.07704	0.6
131.04868	1.3
131.08562	1.7
135.04393	20.2
135.11644	0.6
137.05949	0.9
143.08551	0.7
144.05634	1.1
145.06453	2.0
145.10081	7.6
147.08058	1.1
147.11615	0.5
149.05960	18.4
155.08548	1.4
159.08029	4.3
160.08482	0.4
163.11169	2.6
172.05162	2.0
173.05940	0.9
173.09612	2.2
176.30544	0.5
185.05882	0.5
187.07513	16.4
187.09146	1.0
191.10640	100.0
191.38197	0.4
192.10962	2.2
200.04652	3.3
205.08624	0.5
215.06989	33.7
216.07381	1.1
224.84796	0.5
233.08051	81.3
234.08307	2.3
280.45447	0.4
343.23166	0.5
423.17972	4.3
423.26935	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1795
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20787	0.4
55.05486	1.3
57.03423	0.5
57.07051	0.8
67.05481	3.3
69.03396	1.0
69.07043	1.1
70.14243	0.5
70.14531	2.4
71.04977	0.8
76.06257	0.6
76.60533	0.4
79.05482	4.4
81.03393	1.3
81.07046	3.7
83.04964	0.6
83.08582	0.6
85.02901	0.6
91.04937	0.8
91.05463	6.9
93.07045	3.7
95.04955	1.1
95.08594	1.3
97.02857	0.6
103.05446	0.9
105.07008	4.1
107.04944	1.1
107.08575	1.8
109.10145	1.2
115.05457	1.1
116.06203	0.7
116.67634	0.4
117.07004	5.6
119.08550	2.0
121.06480	1.4
121.10083	1.5
126.37579	0.5
128.06206	3.6
129.06990	7.1
130.07770	1.0
131.04875	1.0
131.08554	2.8
133.10104	1.2
135.04378	1.2
135.11688	0.9
137.30603	0.6
143.08478	0.8
144.05641	1.2
145.06442	1.5
145.10095	5.7
147.04390	0.5
147.08011	1.5
147.11588	0.9
149.05965	2.4
149.73340	0.5
155.05907	0.5
155.08507	1.6
157.06467	1.3
157.07614	0.7
159.06810	0.7
159.08025	7.7
159.11620	0.6
161.13210	0.8
163.11143	2.1
172.05183	3.8
173.05920	1.1
173.09590	9.6
177.12657	0.5
185.05931	0.7
187.07510	27.7
188.07848	1.3
191.10641	57.8
192.11009	1.8
200.04648	6.8
205.04968	1.4
205.08592	1.6
215.06989	59.7
216.07327	2.9
233.08047	100.0
234.08313	3.0
261.22086	0.5
306.27576	0.5
369.24298	0.9
387.25189	0.5
405.26456	0.9
423.17838	1.4
423.26849	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1795
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	0.8
55.01844	0.6
55.05486	1.6
57.07050	1.0
59.09120	0.4
67.05220	0.4
67.05492	4.6
69.03413	1.2
69.07036	1.3
70.91628	1.4
79.05484	4.7
80.04983	1.4
81.03409	0.8
81.07038	3.0
83.08585	0.8
87.04449	4.2
91.05468	9.8
93.07034	5.3
93.37254	0.4
95.04928	1.3
95.08609	2.5
97.02895	1.2
98.06019	1.3
103.05442	2.1
103.08746	0.5
105.07014	6.0
107.04947	1.5
107.08550	1.8
109.10116	1.2
115.05429	1.6
116.06196	1.3
117.06998	8.1
119.08534	1.8
121.06451	1.4
121.10110	1.2
123.08039	0.5
128.06158	3.2
129.07002	8.1
130.07791	2.6
131.04916	1.2
131.08536	2.2
133.10214	0.5
135.04330	0.8
135.11658	0.9
143.08485	0.7
144.05641	1.4
145.06477	2.3
145.10097	8.7
147.08032	1.6
147.11707	0.6
149.05980	3.4
153.06958	0.8
155.08502	3.0
157.06416	1.2
157.07550	0.7
159.08022	7.2
162.06737	1.2
163.07446	0.7
163.11139	3.9
166.08665	1.3
167.08974	0.7
172.05191	3.9
173.05962	0.9
173.09598	19.0
178.15884	0.6
185.05916	0.8
187.07520	27.7
188.07813	1.3
191.10641	100.0
192.10982	2.7
195.12216	0.6
200.04636	8.2
205.04922	0.8
205.08574	1.4
205.12296	0.6
215.06990	60.1
216.07301	2.0
233.08046	81.7
234.08383	2.6
264.19690	0.6
290.28442	0.9
291.28610	1.0
292.22778	0.6
292.29935	0.9
293.30380	0.8
303.06418	0.6
378.33643	10.3
379.33939	22.8
422.36243	8.4
423.17966	42.2
423.31314	1.1
423.36563	27.4
424.18552	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	423.1796
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51982	0.3
53.03918	0.4
53.95180	0.3
55.05472	0.4
56.24036	0.3
56.96545	0.9
58.68233	0.3
67.05473	1.2
69.03417	0.3
69.07034	0.6
70.51102	1.2
79.05452	0.8
81.03407	0.4
81.07024	1.2
83.05675	0.3
91.05484	1.6
93.07005	1.3
95.04921	0.4
95.08543	0.8
105.07000	1.0
107.08539	0.3
109.10062	0.4
115.05434	0.4
116.06246	0.5
116.95993	0.3
117.06970	0.4
119.08530	0.4
121.10150	0.5
128.06203	4.8
129.06987	9.9
131.04877	1.1
131.08553	2.9
141.06952	0.8
143.08534	0.5
144.05664	1.8
145.06409	0.7
145.10126	0.4
145.80185	0.3
147.07993	2.1
155.06018	0.7
157.06439	1.3
157.07597	1.0
159.08032	10.8
172.05164	4.5
173.05992	1.8
179.14316	0.5
185.05984	1.3
187.07518	46.2
188.07825	1.1
191.10583	0.8
200.04657	11.2
205.04851	1.5
205.08560	1.9
215.06995	90.6
216.07339	2.2
233.08049	100.0
234.08377	3.4
289.14719	2.9
307.15701	3.0
330.17261	0.5
363.18408	0.7
378.33615	0.7
379.34109	0.9
422.35959	0.4
423.17966	27.9
423.30695	1.0
423.36612	1.3
424.18250	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1795
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	1.0
55.01855	0.9
55.05487	1.5
65.03886	0.7
67.05500	5.7
69.03405	1.6
69.07042	2.6
70.14183	2.7
71.04960	0.7
79.05112	0.5
79.05477	5.7
81.03388	1.3
81.07043	5.1
83.04944	0.8
83.08576	0.9
86.92427	0.5
91.05464	10.3
93.06545	0.6
93.07037	6.7
95.04942	1.7
95.08592	3.2
97.02860	1.6
99.04443	0.5
103.05459	2.5
105.07013	7.4
107.04924	2.0
107.08556	3.1
109.06500	1.1
109.10153	1.0
115.05442	1.9
116.06213	0.9
117.06991	8.1
119.08537	3.1
121.06480	1.9
121.10111	1.9
123.08009	1.6
123.11669	0.8
128.06172	4.0
129.06975	9.2
130.07733	2.2
131.04897	2.0
131.08569	3.3
133.10085	1.7
135.04333	1.0
135.07968	1.1
135.11664	1.6
143.08505	2.2
144.05664	1.5
145.06454	2.1
145.10092	10.4
147.07993	2.1
147.11630	1.3
149.05937	3.2
155.08514	3.5
157.06464	1.2
157.07610	1.0
159.08026	7.3
159.11620	1.0
161.13293	0.6
162.06715	1.7
163.11154	4.5
171.11708	0.6
172.05179	3.5
173.05930	1.0
173.09598	19.0
173.13232	0.8
175.14784	0.6
179.14281	1.7
183.11633	0.7
183.58383	0.6
187.07513	31.3
188.07915	0.8
191.10638	100.0
192.11005	2.7
200.04655	7.1
205.05040	1.0
205.08589	1.6
215.06993	62.5
216.07376	1.9
233.08047	86.1
234.08389	2.1
261.22083	1.0
282.25381	0.6
297.55750	0.5
303.23206	0.7
315.26819	0.5
331.26083	0.9
369.24118	1.2
387.25061	1.5
405.26370	1.2
423.17938	40.8
423.31274	4.0
423.36511	1.0
424.18073	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	423.1795
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.6
55.01854	0.6
55.05507	2.6
57.03437	1.0
57.07068	7.3
67.05491	4.3
69.07056	2.5
69.33555	0.4
69.93452	2.5
71.04982	5.5
71.08603	1.1
77.03915	0.5
79.05479	17.6
81.07039	4.1
83.04979	0.5
83.08607	0.9
85.06535	5.3
90.35628	0.4
91.05470	12.3
93.07021	4.9
95.04957	1.2
95.08598	3.0
97.06479	0.7
97.10167	0.5
98.20711	0.7
99.08080	0.7
103.05446	4.5
105.03349	2.6
105.04481	0.6
105.07005	7.4
107.04947	4.7
107.08569	2.2
109.06492	4.0
109.10168	1.0
111.08063	0.6
115.05470	0.7
117.07013	4.1
119.08582	2.5
121.06491	3.5
121.10138	1.6
123.07192	0.5
123.08051	6.9
123.11671	0.4
123.54817	0.4
128.06197	3.0
129.06996	4.3
130.07758	0.7
131.04893	1.4
131.08554	1.7
133.06473	0.4
133.10110	1.3
135.04393	22.9
135.08009	1.2
135.11661	1.2
136.96190	0.4
137.05933	0.9
139.24469	0.4
143.08572	0.7
144.05663	0.9
144.08080	1.1
145.06438	1.8
145.10089	9.2
147.08040	1.4
147.11682	0.6
149.05963	17.9
150.06311	1.1
155.08563	1.3
157.06447	0.6
157.07611	0.7
158.07233	1.4
159.08049	4.4
159.11710	0.5
161.09633	0.5
161.13342	0.5
163.07503	0.5
163.11218	2.8
167.07010	0.9
172.05124	2.7
173.05894	0.5
173.09604	2.1
173.13147	0.5
179.12698	0.9
179.14278	13.8
179.15800	0.9
185.05969	0.5
186.25288	0.4
187.05818	0.9
187.07512	17.3
188.07753	0.5
191.10641	100.0
192.11008	3.4
193.15834	0.6
200.04675	4.3
201.09077	2.9
205.05061	0.6
205.08577	1.5
215.06996	37.5
216.07384	1.2
219.10112	7.6
220.10555	0.5
233.08052	76.7
234.08386	3.1
236.23624	0.4
275.19925	0.5
279.06430	0.5
293.21158	0.7
295.05960	1.4
303.26758	1.0
331.26248	6.5
349.27448	2.3
405.16748	0.8
423.18161	7.5
423.30954	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	423.1787
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15020	1.2
58.99563	3.0
61.01137	7.9
62.01362	1.1
69.03406	1.7
69.82653	5.5
71.04954	1.0
72.04497	7.8
72.08125	1.1
76.02217	1.3
78.03783	15.6
81.03399	1.4
83.04944	1.8
84.04496	1.4
85.02893	7.2
85.06517	2.0
86.06062	2.5
86.09693	2.5
86.99019	1.6
88.02219	5.3
91.05466	7.7
91.10015	1.0
91.18388	1.1
92.05803	2.1
92.47128	1.0
92.99550	1.1
97.97755	1.0
98.02405	1.6
98.20757	1.1
99.04440	3.7
99.05550	3.8
100.02193	5.9
102.03741	21.1
103.02124	2.1
103.03924	12.8
109.02860	3.4
113.05945	1.8
114.03732	3.8
114.05563	1.6
120.04787	5.3
124.07572	1.1
126.05502	14.8
127.03938	5.3
131.06340	9.5
132.04753	12.3
132.10150	1.6
136.07555	4.5
142.08592	5.7
146.02702	7.9
147.05829	1.4
149.07420	43.0
152.01572	1.3
152.07091	2.3
154.08588	2.1
159.05849	2.2
162.91391	1.2
175.05330	3.5
180.06540	11.3
181.06761	1.2
184.09613	2.0
198.07532	1.7
216.08635	1.8
218.08154	2.5
231.11552	3.0
257.09589	1.6
260.09006	1.5
261.12650	5.2
275.10559	1.6
278.10046	1.3
293.11606	100.0
294.12048	2.1
318.12054	1.1
325.03400	1.1
363.09848	1.5
405.11713	2.6
405.16849	37.7
405.22229	1.9
406.16800	1.5
423.12140	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	423.179
Annotation	Unknow
Peak:m/z	Relative Intensity
57.10401	0.4
65.94106	0.4
67.05495	2.1
68.30686	0.4
69.07047	0.8
70.09135	2.2
79.05473	2.7
81.07027	1.1
88.11282	0.4
91.05465	5.5
93.07015	3.2
95.05008	0.5
95.08601	0.8
98.21405	0.5
103.05463	0.7
105.07001	3.6
107.04947	1.4
107.08559	1.4
115.05460	1.6
116.06212	0.5
117.06993	5.0
119.08562	1.4
121.06400	1.0
121.10112	0.6
128.06198	3.1
129.06972	7.2
130.07721	1.7
131.04901	1.2
131.08490	2.3
133.10109	0.6
135.04393	1.4
135.11676	0.8
141.06927	0.6
143.08545	0.9
143.16545	0.4
144.05667	1.5
145.06398	1.2
145.10100	6.0
147.07999	1.4
147.11621	0.6
149.05943	2.6
153.06903	0.6
155.08521	1.8
157.06435	0.8
157.07585	1.0
158.07166	0.6
159.08032	6.7
162.06714	0.7
163.11189	2.3
172.05142	4.5
173.05956	0.8
173.09592	11.4
173.13196	0.5
185.05898	1.1
187.07503	29.1
188.07932	0.7
189.09003	0.5
191.10623	67.0
192.10899	2.1
200.04645	7.5
205.04852	0.6
205.08534	1.3
205.12187	1.5
215.06975	60.3
216.04147	0.7
216.07307	1.8
231.06543	0.8
233.08026	100.0
234.08363	3.4
261.22043	0.6
282.20255	0.4
302.30478	0.4
365.77808	0.5
367.87802	0.6
419.47803	0.5
423.17786	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	423.0949
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02387	0.4
53.03940	2.0
55.01861	0.9
57.03420	1.2
60.04511	0.4
61.01121	0.3
64.58456	0.2
69.03413	0.6
69.07056	0.3
69.59651	1.7
70.06583	3.1
71.04977	0.5
72.08134	0.4
73.02908	0.9
75.07826	0.3
77.03891	0.6
78.03790	0.3
79.05476	2.1
81.03399	0.8
84.04471	1.2
84.08131	1.5
85.02914	1.4
86.09694	1.8
89.20378	0.3
95.04959	4.8
97.02886	0.5
97.06524	0.6
99.04431	0.8
102.03731	0.4
102.05505	0.4
105.03376	100.0
106.03698	2.9
107.44495	0.2
109.02843	1.9
110.03642	0.8
111.04432	0.3
120.08105	0.7
123.04414	3.5
126.05505	0.5
127.03896	1.3
129.10240	1.0
129.22014	0.3
130.04945	0.4
132.04762	0.4
132.10112	0.3
132.95935	0.3
132.99626	0.3
136.07547	0.6
146.02664	0.3
147.07782	0.3
149.07446	1.0
158.97350	0.8
161.13225	0.3
168.95874	0.3
176.98499	0.5
179.07008	29.9
180.07423	0.4
182.08136	0.4
186.96841	0.3
191.00110	1.0
196.14491	0.3
197.08063	14.3
198.08424	0.5
205.04922	0.3
211.14291	0.3
213.12305	0.5
216.97850	0.4
217.04823	0.3
218.08412	0.3
231.06610	0.3
234.98883	1.7
244.16284	0.4
291.05399	0.3
293.11606	2.0
308.29285	0.3
309.06403	0.8
310.17743	0.4
321.79538	0.3
358.16434	0.3
393.08453	0.9
405.16803	0.5
405.21454	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.238
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.0
55.01854	3.0
55.05510	7.0
56.05017	1.6
57.03422	2.5
58.99575	1.3
60.04516	3.0
61.02911	1.6
67.05486	5.4
69.03411	5.3
69.07059	3.2
70.06586	34.3
70.73946	3.4
70.74297	1.4
71.04974	7.7
71.06884	1.3
72.08133	5.1
73.02895	2.1
79.05483	9.4
81.03408	3.9
81.07030	9.8
83.04959	5.4
83.06100	2.1
84.04497	6.7
84.08138	18.5
85.02903	15.4
85.06522	2.9
86.09702	26.9
86.86308	1.5
86.99056	1.3
87.04472	2.7
91.05454	7.8
93.07052	10.2
95.04552	1.1
95.04972	11.6
95.08611	9.4
97.02880	4.3
97.06522	79.1
97.10102	1.4
98.21391	1.7
99.04435	5.4
99.08100	1.4
100.02148	2.0
101.05960	1.4
102.03755	2.6
102.05529	3.2
103.03924	2.4
105.03381	58.5
105.07027	16.5
107.04948	2.3
107.08575	16.1
109.02836	4.1
109.06487	4.9
109.10125	7.5
110.07149	1.8
111.08064	6.8
113.06037	1.6
115.07604	1.4
116.07080	1.5
117.06987	2.7
118.21476	1.4
119.08565	19.1
120.08105	6.5
120.08798	1.4
121.06467	2.7
121.08418	1.6
121.10130	14.5
122.02722	2.3
123.04404	4.3
123.08022	4.5
123.11699	2.7
125.09635	3.2
126.05511	3.8
127.03920	4.2
129.07005	1.5
129.09213	3.1
129.10219	12.7
130.04938	1.8
131.08571	1.8
133.10129	11.8
135.08049	3.2
135.11691	7.0
136.07576	4.7
137.06003	1.9
137.09599	3.6
139.08641	1.3
139.11221	1.6
143.08559	3.3
145.04921	2.8
145.10158	7.3
146.02734	1.9
147.08002	4.2
147.11688	20.9
149.07428	3.8
149.09579	4.2
151.11192	1.9
153.09068	5.2
155.10657	3.8
157.12276	1.8
159.11591	4.9
161.09618	3.0
161.13277	13.0
163.03757	1.6
163.11168	5.6
165.09068	2.0
165.12755	9.1
167.10646	2.7
171.10202	1.4
171.11642	4.3
173.09172	4.9
177.12741	4.1
179.07028	16.9
179.10579	2.0
179.14336	3.2
182.08159	1.8
185.11702	6.4
186.12291	2.5
189.12720	15.3
195.13850	1.7
196.14360	2.3
197.08110	9.4
205.04880	1.6
207.10190	1.5
207.13777	23.2
211.13219	2.4
214.15486	1.4
215.13882	2.8
217.04904	4.1
218.43283	1.5
224.00099	1.4
225.11189	4.5
225.14827	34.5
227.11432	1.5
231.06477	2.9
234.99036	1.8
241.09601	4.0
243.15900	100.0
244.16313	2.6
255.11192	3.5
259.06210	2.9
259.10800	1.7
260.09265	1.6
283.10764	1.9
290.17456	2.7
293.11551	9.2
301.07016	2.4
301.11804	8.5
405.16537	2.9
422.13681	5.6
422.21957	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	422.3622
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03896	0.6
55.01831	0.5
55.05452	2.5
55.70499	0.3
57.07062	1.7
65.03871	0.4
67.05493	7.4
68.04971	0.8
69.03369	1.1
69.07054	3.3
69.90231	2.1
70.06544	0.7
71.04938	0.4
71.08570	1.0
75.54269	0.3
79.05477	5.5
80.05006	4.3
81.03403	1.9
81.07043	6.6
82.06546	0.6
83.04932	0.5
83.08614	1.6
85.02843	0.5
86.05997	1.4
87.04456	14.4
87.04955	0.6
88.04782	0.3
91.05473	5.0
93.07027	6.9
94.06483	0.7
95.04891	0.8
95.08591	5.2
96.08044	1.3
97.02876	3.5
97.06481	0.4
98.06037	3.2
99.04449	1.5
103.05399	0.7
105.03271	0.3
105.07000	3.3
107.04926	0.5
107.08588	4.0
108.08027	1.4
109.02812	0.8
109.08894	0.4
109.10116	2.4
110.09631	0.4
112.07536	0.5
113.09569	0.4
117.06993	2.4
119.08558	2.3
121.05591	0.3
121.06431	0.7
121.10141	2.6
122.09551	0.6
123.11633	0.8
124.07523	0.9
127.03898	2.1
128.06181	0.8
129.06976	2.0
130.07751	0.6
131.04887	0.8
131.08578	1.7
133.10092	1.5
135.11665	1.8
136.07523	1.6
142.28258	0.3
143.08531	0.4
144.05621	0.7
145.06314	0.9
145.10094	3.4
147.07968	0.6
147.11594	1.2
149.05907	1.3
149.13133	1.1
150.09096	0.6
155.08452	0.7
157.06390	0.5
159.08043	2.2
161.13191	0.4
162.06728	0.5
163.11174	0.9
163.14738	0.3
164.14320	2.0
166.08607	5.4
166.15862	0.8
168.10066	0.5
172.05116	0.7
173.09604	4.8
173.13181	0.7
177.16296	0.4
178.15811	1.5
179.14229	0.3
180.10208	1.8
180.17419	0.5
181.10880	0.9
182.11710	0.9
183.11778	0.3
184.09634	1.7
187.03825	0.3
187.07516	8.0
191.10638	24.6
192.17403	1.4
194.11740	3.7
194.18976	1.0
195.12355	0.7
200.04668	2.3
202.90053	0.3
205.08528	0.5
206.19072	2.1
208.13203	0.8
208.20433	0.5
215.06982	16.0
216.04092	0.4
220.20439	0.8
233.08043	21.8
234.22133	0.4
236.16423	0.4
240.19478	0.8
248.19992	0.5
250.18028	1.6
252.19533	0.7
259.20407	0.4
260.24161	0.3
261.22208	2.0
264.19550	2.3
266.21170	0.5
268.22723	0.8
278.21082	1.2
280.22650	0.8
290.28378	3.9
292.22684	3.4
292.29880	7.5
293.30179	0.6
294.24188	0.7
325.66333	0.3
329.24948	0.5
331.81650	0.4
339.22998	0.4
357.24249	0.6
376.32050	0.6
378.33600	90.0
379.33948	6.8
380.35123	0.8
422.36227	100.0
423.17941	11.9
423.31091	0.5
423.36581	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	422.2378
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76302	0.6
53.03924	0.8
55.05501	2.5
56.05042	0.8
57.07056	0.8
61.02917	0.7
67.05488	2.0
69.03404	2.5
69.07043	1.9
70.06581	4.2
71.04984	1.2
71.06944	0.6
71.62371	0.8
71.62756	0.9
72.08137	2.7
79.05467	2.5
81.03418	7.5
81.07041	9.2
82.07368	0.7
83.04948	0.8
84.04474	1.1
84.08122	1.9
85.02898	7.4
85.06529	1.0
86.09698	3.6
91.05460	4.3
93.07036	6.7
95.04928	0.8
95.08601	4.2
97.02877	1.5
97.06506	0.7
99.08071	1.0
104.13236	0.6
105.07016	38.1
106.07294	0.7
107.08591	4.2
109.02816	1.1
109.06482	1.1
109.10143	2.1
111.88734	0.7
117.06997	0.8
119.08563	42.8
120.08886	1.2
121.10133	13.6
122.02713	1.0
123.08036	1.2
125.09514	0.7
127.03892	1.5
129.10210	1.5
131.08522	0.9
133.10124	5.0
135.11676	0.8
137.09589	1.6
137.13242	0.9
145.04944	0.9
145.10147	0.9
151.14812	0.7
155.14262	0.8
159.11649	1.2
161.09599	2.1
161.13229	100.0
162.13606	3.2
179.10739	1.4
179.14285	33.4
181.08571	1.5
181.12218	0.8
189.09076	0.9
189.12758	1.0
197.15352	1.6
207.10086	1.8
207.13766	22.6
208.14034	0.7
217.04865	0.8
225.11209	2.4
225.14818	37.4
226.15201	1.7
231.75372	0.6
243.12326	1.0
243.15887	5.4
255.11201	0.9
261.11179	0.9
292.64804	0.6
299.51736	0.8
301.11710	0.7
422.23099	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.2276
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	0.4
56.05026	2.6
57.07056	0.4
67.05485	0.4
69.03436	0.3
69.07053	0.5
70.06572	1.0
70.59821	1.0
74.06066	8.7
81.03390	0.4
81.03861	0.2
81.07027	0.4
83.08597	0.5
84.08125	0.4
85.02888	0.6
85.06531	0.9
86.09688	100.0
87.09517	0.2
87.10026	1.0
91.05467	0.7
93.07009	0.4
94.61115	0.3
95.04965	0.3
95.08561	0.3
95.26124	0.3
97.02856	0.4
97.06512	0.4
98.06048	1.3
99.05565	0.3
103.05459	0.5
105.01856	0.4
109.02806	0.3
112.11209	0.3
116.07078	1.1
120.08086	13.3
124.11214	0.2
126.05489	5.8
127.03894	0.4
129.10248	0.3
131.04892	0.3
139.12309	0.5
144.06577	0.7
149.81897	0.3
151.02194	0.3
160.91264	0.3
166.08617	6.2
169.13377	0.4
181.88402	0.2
187.14401	0.5
193.12296	0.8
195.11244	3.1
211.14505	1.3
225.14799	2.2
233.16548	0.4
239.13863	16.0
240.14159	0.5
257.14975	1.0
279.16971	11.7
280.17468	0.4
360.19125	1.9
381.28674	0.2
404.21756	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.2379
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67619	0.5
55.05495	2.1
57.03416	0.9
61.02906	1.3
67.05497	2.7
67.66545	0.5
69.03423	2.9
69.07060	2.7
69.57783	1.4
69.58197	3.6
70.06590	5.2
71.04984	1.4
71.24905	0.5
71.79374	0.5
72.08143	3.5
74.06072	0.6
79.05465	2.3
81.03411	1.8
81.07049	9.0
83.04967	1.0
83.08604	1.0
84.04496	1.6
84.08106	2.9
84.29807	0.6
85.00854	0.6
85.02894	10.1
85.06520	0.8
86.09699	3.9
87.61927	0.5
91.05465	3.3
93.07014	6.4
95.04971	1.3
95.08584	5.3
97.02866	2.0
97.06490	1.1
98.21539	0.6
99.04427	1.2
105.07015	35.2
106.07331	1.0
107.04944	0.7
107.08571	6.2
109.02851	2.0
109.06506	1.0
109.10132	4.7
111.04419	0.9
116.05324	0.7
117.06987	0.8
119.08565	42.5
120.08119	2.8
120.08845	0.7
121.10128	14.6
123.08041	1.9
125.05980	0.8
127.03852	1.5
129.10229	1.4
133.06413	0.9
133.10121	7.7
135.11671	1.3
137.05995	1.2
137.09589	9.3
137.13216	0.9
139.11153	1.9
145.04942	1.8
145.10042	0.8
147.07973	0.8
147.11655	0.7
151.07518	2.0
151.11197	1.1
151.14856	0.8
155.10623	1.1
161.09639	4.0
161.13231	100.0
162.13565	3.5
163.11205	3.5
165.09073	6.0
179.10686	6.8
179.14285	32.5
180.14629	1.0
181.12137	2.2
189.09068	2.0
189.12753	0.8
197.15332	1.3
199.13283	0.8
202.45711	0.6
207.10197	5.9
207.13768	19.8
217.05107	0.7
219.06496	0.8
225.11374	9.8
225.14812	42.1
226.15205	1.7
232.06885	0.6
234.98943	1.5
243.12180	1.7
243.15834	6.5
252.99954	0.8
312.07181	0.7
317.06784	0.7
331.09210	1.0
369.15170	3.0
387.16541	3.3
404.11459	0.9
422.15039	0.6
422.24066	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.2014
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	2.9
55.05489	3.4
56.96515	1.9
61.02943	2.3
66.91933	1.8
67.05476	6.7
69.03412	4.9
69.07045	3.1
70.06590	11.2
71.04990	3.7
71.06248	4.6
71.06580	2.5
72.08134	6.2
79.05479	14.4
81.03413	2.4
81.07037	18.5
83.04966	1.9
84.04481	3.5
84.08116	7.8
85.02885	8.7
86.09711	13.3
91.04946	2.2
91.05437	9.4
93.07021	5.0
95.04945	4.4
95.08573	8.7
97.02867	3.0
97.06492	6.2
99.04430	8.3
105.07011	17.1
107.04947	19.0
107.08575	5.0
109.02859	3.1
109.06499	2.0
109.10121	24.7
119.08563	13.5
120.08050	2.3
121.06543	2.4
121.10096	2.6
123.04414	4.9
123.08038	2.2
128.06204	3.2
132.06407	2.0
133.06447	2.0
133.10088	17.9
135.11731	3.2
137.06007	2.3
137.09584	44.7
143.07018	2.9
143.08534	11.0
145.10132	3.6
147.08012	16.5
147.11621	2.4
151.07510	6.5
161.09593	80.5
162.09875	3.2
163.11150	13.3
165.09090	80.3
165.10498	4.2
165.12743	2.2
171.07986	3.0
177.05435	4.0
179.10699	19.1
181.12225	3.6
182.05885	2.0
189.09111	17.6
195.06461	5.9
197.11685	3.6
207.10132	100.0
217.04857	5.1
225.11195	55.6
243.12253	5.6
243.15807	4.9
302.04800	5.9
312.06818	2.9
349.67136	2.3
373.10403	2.6
377.85071	1.9
404.11987	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	422.2014
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	2.9
55.05489	3.4
56.96515	1.9
61.02943	2.3
66.91933	1.8
67.05476	6.7
69.03412	4.9
69.07045	3.1
70.06590	11.2
71.04990	3.7
71.06248	4.6
71.06580	2.5
72.08134	6.2
79.05479	14.4
81.03413	2.4
81.07037	18.5
83.04966	1.9
84.04481	3.5
84.08116	7.8
85.02885	8.7
86.09711	13.3
91.04946	2.2
91.05437	9.4
93.07021	5.0
95.04945	4.4
95.08573	8.7
97.02867	3.0
97.06492	6.2
99.04430	8.3
105.07011	17.1
107.04947	19.0
107.08575	5.0
109.02859	3.1
109.06499	2.0
109.10121	24.7
119.08563	13.5
120.08050	2.3
121.06543	2.4
121.10096	2.6
123.04414	4.9
123.08038	2.2
128.06204	3.2
132.06407	2.0
133.06447	2.0
133.10088	17.9
135.11731	3.2
137.06007	2.3
137.09584	44.7
143.07018	2.9
143.08534	11.0
145.10132	3.6
147.08012	16.5
147.11621	2.4
151.07510	6.5
161.09593	80.5
162.09875	3.2
163.11150	13.3
165.09090	80.3
165.10498	4.2
165.12743	2.2
171.07986	3.0
177.05435	4.0
179.10699	19.1
181.12225	3.6
182.05885	2.0
189.09111	17.6
195.06461	5.9
197.11685	3.6
207.10132	100.0
217.04857	5.1
225.11195	55.6
243.12253	5.6
243.15807	4.9
302.04800	5.9
312.06818	2.9
349.67136	2.3
373.10403	2.6
377.85071	1.9
404.11987	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2427
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53758	0.9
53.03942	1.7
53.27863	0.9
55.01856	2.5
55.05501	36.2
57.03432	5.1
57.07064	18.7
67.05486	7.8
68.04891	1.0
69.07058	31.2
70.06580	1.3
71.01337	1.6
71.04974	3.4
71.08620	3.3
71.60442	0.9
71.60860	1.8
73.02929	1.7
78.52319	0.9
79.05496	4.6
81.07051	11.6
83.08604	100.0
84.08942	1.5
85.02880	1.5
85.06485	1.1
87.04459	3.1
88.54293	1.0
89.02384	2.9
91.05466	3.9
93.07048	3.7
95.08588	11.6
97.09531	1.6
97.10156	30.7
101.02367	5.1
103.05431	1.0
105.07019	2.2
107.04989	1.5
107.08549	1.6
109.06505	0.9
109.10155	6.9
111.11740	1.1
115.03915	11.4
117.07011	1.5
119.08580	1.6
121.06468	1.3
121.10112	1.6
128.06276	1.0
129.01794	3.1
129.07013	1.5
131.08516	1.5
135.04407	3.8
139.14804	1.6
141.06866	1.1
143.03384	7.2
145.10120	2.1
147.04385	1.4
148.09586	1.0
149.05920	2.5
157.01321	9.0
161.04491	2.1
161.06001	2.3
163.14836	2.7
165.15193	1.1
165.16353	6.0
171.17418	74.0
172.17773	3.7
183.17404	1.1
187.07526	3.2
189.03903	27.3
189.05519	1.8
191.07001	1.6
191.10640	33.5
192.10970	2.3
197.07318	1.6
199.07494	1.1
203.03322	10.2
207.04994	5.2
213.05739	1.2
213.09048	1.2
215.06934	6.3
215.19920	1.0
216.04141	15.6
216.07365	1.1
225.09067	4.2
231.06479	43.7
232.06845	2.7
233.08061	3.6
239.62662	1.0
289.24979	1.0
291.10266	0.9
315.10156	1.4
331.09448	1.2
359.09039	2.2
371.20499	1.2
375.15829	2.4
377.17358	3.8
385.14612	1.4
388.13220	1.7
403.15308	11.2
421.16446	13.2
421.31146	1.2
422.16513	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1848
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02343	0.3
53.03928	1.5
55.05506	1.5
55.38252	0.3
56.33001	0.2
57.03434	0.6
57.07060	0.5
59.65006	0.3
65.03933	0.5
67.05502	2.9
68.99773	0.5
69.03421	5.4
69.07059	1.8
69.97835	0.5
69.98241	1.3
70.06577	1.0
71.04986	0.5
75.34246	0.3
75.34720	0.3
77.03888	0.3
77.81666	0.3
79.05045	0.4
79.05482	5.5
79.97604	0.3
81.03407	2.6
81.07042	6.1
83.04967	2.6
83.08599	0.5
84.08132	0.7
85.02911	0.9
85.06518	0.4
86.09692	0.4
87.00795	2.0
91.05469	6.1
93.07029	3.3
95.04954	1.4
95.08592	2.0
97.02881	3.3
97.06493	1.7
97.95280	0.3
99.04448	0.9
105.01848	0.6
105.07015	7.5
107.04935	3.7
107.08578	18.4
108.08832	0.4
109.02864	4.5
109.06490	2.3
109.10138	6.1
109.98029	0.3
110.10509	0.3
111.08123	0.4
115.05444	1.2
117.06984	2.0
118.07774	0.5
119.06022	0.5
119.08575	3.4
121.06475	1.9
121.10123	10.0
122.07263	5.8
123.08111	1.3
126.97189	0.3
127.03896	11.0
129.07063	0.3
131.08563	2.5
133.10107	100.0
134.10449	2.5
135.08032	6.4
135.11684	1.4
137.09593	53.7
138.09940	1.6
143.08513	0.7
144.09288	0.3
145.04932	1.0
145.10110	1.4
147.07993	0.4
147.11642	2.5
149.09587	1.8
149.13232	7.8
154.55872	0.3
158.10892	1.4
161.09541	0.3
163.03851	0.6
163.14804	1.9
169.04993	0.4
173.09581	0.5
173.13245	5.2
179.07010	0.3
189.12630	0.4
191.14275	49.4
192.14630	1.8
195.05780	0.4
199.12273	0.4
201.12729	0.3
210.09117	0.4
213.03889	3.4
213.10239	0.6
215.06851	0.4
224.07166	0.5
225.06544	0.4
226.05362	0.3
226.07167	1.5
227.08205	0.4
227.11774	1.4
231.04932	2.0
240.08859	1.1
241.06406	0.5
241.09695	0.9
255.11237	4.5
255.13812	0.4
255.45694	0.3
259.09576	0.8
273.12347	0.4
280.11557	0.3
283.08209	0.3
283.10748	1.8
301.11798	7.9
317.17407	0.6
335.18454	0.6
403.17490	1.4
421.18466	1.3
421.23392	0.4
440.78455	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1637
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60197	0.2
55.05498	0.3
57.07061	0.2
59.59407	0.2
63.92090	0.2
67.05487	0.6
70.06575	0.2
79.05457	0.6
81.07042	0.4
91.05480	1.6
93.07017	0.6
95.04935	0.3
95.08585	0.4
103.05421	0.3
105.03356	0.3
105.07028	0.8
107.08585	0.4
115.05444	0.2
115.25969	0.2
117.07009	0.6
119.08591	0.2
121.10155	0.3
128.06204	0.2
129.06920	0.4
130.07805	0.2
131.08472	0.3
144.05656	0.3
145.02835	0.3
145.10095	0.9
149.02316	0.4
155.08540	0.4
161.05865	0.2
163.11168	0.4
173.02332	0.9
173.09572	1.4
174.03085	1.7
175.03801	0.3
175.07350	0.2
187.03882	0.8
188.04660	0.4
191.10634	7.8
191.12302	0.5
200.04727	0.4
201.01744	0.6
203.03372	1.2
203.06940	0.7
210.06738	0.6
211.07660	0.2
213.05402	0.8
215.07111	0.3
216.04140	77.3
217.04494	3.2
222.10268	0.3
231.06482	100.0
232.06819	4.8
234.15468	0.2
251.06932	0.2
253.12213	0.2
284.40646	0.3
304.07220	0.2
316.14734	0.5
318.08807	0.6
333.11136	0.9
337.08746	0.2
347.16406	0.3
421.16370	6.8
421.24863	0.4
422.16580	0.5
422.29172	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.164
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	0.9
55.05495	1.8
57.03421	0.7
57.07054	1.6
62.77163	0.4
64.30202	0.5
66.55453	0.5
67.01191	0.5
67.05485	2.2
69.07054	1.5
69.64886	2.8
69.65297	1.1
71.04966	0.5
79.05465	2.5
81.07044	1.8
83.04963	0.5
83.08607	3.7
87.04429	0.5
88.07581	0.5
91.05467	5.1
93.07027	2.8
95.04961	1.2
95.08602	1.8
97.06523	0.6
97.10130	1.3
98.14679	0.5
100.54403	0.6
101.02367	0.8
103.05428	1.2
105.07005	4.0
107.04934	1.1
107.08556	1.0
109.06569	0.5
109.10134	0.8
115.03907	1.5
115.05408	1.0
117.07004	4.1
119.08528	1.8
121.06474	1.5
121.10094	0.7
129.06975	0.7
130.07741	1.9
131.08592	0.9
133.10056	0.6
135.08028	1.5
135.11687	0.7
143.08595	0.8
145.10109	5.6
147.11690	0.8
149.05930	2.0
155.08504	2.2
163.11201	1.4
171.17392	3.0
173.09605	9.7
174.03064	1.7
187.03880	1.1
189.03903	2.4
191.10638	49.9
192.10985	2.1
195.11278	0.6
203.07083	0.5
213.05508	0.7
216.04141	73.0
217.04468	3.2
231.06480	100.0
232.06793	3.7
246.56627	0.5
263.87122	0.6
305.24695	1.2
347.25610	1.3
389.74344	0.6
421.17963	1.7
421.23163	0.6
421.28995	3.1
421.34753	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.2222
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.8
53.91966	1.1
55.05501	9.9
57.03427	1.9
57.07050	2.2
57.36965	1.0
59.05001	1.4
65.03946	1.1
67.05497	4.5
68.64725	1.0
69.03421	13.3
69.07045	3.3
69.89310	1.0
70.06585	6.2
70.28082	2.5
71.04985	1.9
72.08147	3.0
74.06065	2.8
78.95261	0.9
78.99829	0.9
79.05483	5.3
81.03410	1.7
81.07037	4.0
83.04967	16.1
84.04486	1.6
84.08128	3.9
85.02892	19.7
85.06536	3.6
86.09700	3.3
89.03912	3.2
91.05472	4.7
91.48563	1.0
93.07042	10.4
95.04945	3.5
95.08604	10.8
97.02874	3.6
97.06516	9.5
99.04441	2.9
99.08086	6.7
104.05269	0.9
105.07007	3.1
107.04945	3.0
107.08562	6.0
109.02856	4.6
109.06498	5.2
109.10155	3.3
111.04424	2.4
113.05976	3.4
117.03371	1.9
117.07013	1.5
119.08555	11.3
121.06515	4.5
121.10134	8.1
123.08061	16.1
125.05970	7.5
125.09662	1.0
127.03888	3.9
127.07526	1.8
129.05460	4.8
129.06987	1.7
129.10243	3.3
131.08534	1.8
133.10071	1.5
135.04395	6.4
135.08063	5.8
135.11671	2.7
136.07558	1.5
137.05969	9.4
137.09593	11.5
139.07573	1.8
143.07008	7.5
144.09399	1.6
145.02837	2.3
145.04965	2.8
145.06483	1.2
145.10121	3.5
147.08035	9.2
149.09550	1.5
155.07030	1.7
157.13402	1.5
158.97336	1.0
159.10172	4.1
159.11676	17.3
161.09601	2.3
162.10353	1.8
163.03900	29.4
163.07579	3.2
163.11162	25.4
164.04205	2.7
165.09099	26.1
167.07018	1.5
169.25989	0.9
172.08801	1.2
175.11142	1.7
177.11212	2.6
177.12735	10.4
181.12216	1.3
187.07480	1.2
187.11111	7.3
193.12148	1.1
195.13908	1.1
201.05574	1.6
205.08527	3.3
205.12210	56.6
206.12486	1.5
223.13266	100.0
224.13597	3.4
234.99042	3.2
251.09145	1.7
274.99771	2.7
290.99445	1.8
323.02209	1.5
385.18332	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.2222
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01828	0.8
55.05497	1.0
57.03429	1.1
57.07065	62.5
58.07410	0.6
61.02908	1.6
67.05494	1.7
69.03410	2.7
69.07027	0.7
69.56143	2.5
69.56575	2.9
70.06567	2.3
78.48140	0.7
79.05480	18.3
80.00674	0.6
81.03398	3.2
81.07017	1.7
83.04966	0.7
84.08120	3.0
85.02888	10.7
85.06525	100.0
86.06878	1.5
86.09698	1.4
91.05461	1.9
95.04970	1.2
95.08578	1.0
97.02300	0.8
97.02858	4.1
97.06520	2.0
100.07575	0.9
105.07014	0.9
107.04934	63.2
108.05231	0.9
109.06551	0.8
110.07133	0.7
120.08067	1.0
121.10129	1.0
123.04437	1.1
127.03896	2.0
131.35638	0.7
133.10112	3.2
137.09526	1.4
139.07515	30.2
139.08612	1.5
145.04924	1.7
147.11665	1.4
163.04053	0.6
163.10999	0.7
191.10612	0.8
191.14322	1.8
211.13280	0.8
219.10167	0.7
223.13245	54.0
224.13608	2.0
225.77408	0.8
231.49295	0.6
238.48096	0.7
241.14238	1.3
252.97726	0.7
259.09647	0.9
274.08008	0.7
274.10886	0.7
282.15805	0.7
299.10004	0.9
355.73166	0.7
402.22629	0.6
420.24002	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.2219
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.2
55.05499	0.6
57.03418	0.4
57.07064	1.8
58.27318	0.4
61.02914	0.4
67.05493	3.7
68.99800	0.6
69.03410	3.1
69.07058	4.2
70.06542	0.4
71.04979	0.7
71.23599	0.8
73.02876	0.7
79.05476	8.1
81.03419	2.4
81.07041	100.0
82.07378	0.6
85.02890	9.0
87.00813	3.5
91.05486	0.6
93.07039	1.0
95.04929	0.6
95.08590	20.7
97.02877	5.7
98.21409	0.4
99.04456	1.1
105.01852	7.9
109.02876	2.2
109.10155	1.5
127.03899	10.2
132.25281	0.4
137.13229	24.1
145.04935	6.0
149.02348	1.0
149.74683	0.3
154.15883	0.6
159.02885	1.3
193.04999	1.5
205.32774	0.4
231.04977	4.3
237.07524	0.6
248.07616	0.5
249.06064	1.8
266.08676	0.4
284.09793	0.9
356.35577	0.4
396.76224	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.2222
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.9
55.05501	11.9
57.03415	1.2
57.71254	1.0
59.04982	1.4
60.04518	1.9
61.02909	1.1
67.05483	2.6
69.03414	11.6
69.07040	3.0
69.97753	5.7
70.06592	1.2
71.04980	2.3
72.08138	2.4
79.05473	5.5
81.03419	1.7
81.07027	4.2
83.04970	17.5
84.04465	1.0
84.08088	2.1
85.02425	1.3
85.02895	20.0
86.09682	2.4
91.05450	2.7
93.07021	9.8
95.04943	4.2
95.08585	12.9
97.02872	2.4
97.06512	10.6
98.21363	1.5
99.04427	1.5
99.08052	6.3
105.06990	4.2
105.89136	1.0
107.04920	4.4
107.08593	5.9
109.02861	5.3
109.06487	3.4
109.10123	5.3
111.04433	1.2
113.05986	4.0
117.07036	1.2
119.08562	11.0
121.06510	5.1
121.10134	9.3
123.08061	16.4
125.05963	8.3
125.09617	1.3
127.03892	2.2
127.07494	2.6
129.05466	4.7
131.08501	2.8
133.10085	2.5
135.08046	7.5
135.11662	2.3
137.05946	8.0
137.09601	18.8
139.07524	2.0
140.29666	1.0
143.07033	8.8
144.09332	1.2
145.04938	1.6
145.10107	4.1
147.07997	9.2
148.08766	1.6
155.06998	1.4
159.09271	0.9
159.11667	19.1
161.09555	3.2
162.10368	1.4
163.11156	28.6
165.09082	34.3
175.11111	1.5
177.12714	11.6
181.08694	1.3
181.12210	1.5
182.32266	1.2
187.11136	8.8
195.13676	1.2
205.12209	58.0
206.12529	2.1
209.17094	1.1
223.13252	100.0
224.13562	3.2
234.98991	7.2
289.03732	2.2
335.04303	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1901
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	9.1
55.01855	15.9
55.05497	14.8
56.08786	4.3
57.03420	11.3
57.07067	73.6
61.02906	11.5
63.01584	4.9
67.05486	10.8
69.03429	29.0
69.07049	16.5
70.06577	16.7
70.75276	7.7
70.75615	10.6
71.04985	8.9
72.08147	9.8
73.02899	4.5
75.12980	5.6
79.05483	11.6
81.03400	35.2
81.07050	56.9
83.04971	11.2
83.08591	6.4
84.04473	8.8
84.08147	7.6
85.02891	57.9
85.06521	26.3
86.09694	24.5
87.00813	27.2
91.05461	11.3
93.07019	14.6
95.04936	8.8
95.08607	15.7
97.02872	35.1
97.06528	14.0
99.04436	17.6
99.08086	56.8
105.01842	18.9
105.07008	13.6
106.13770	4.9
107.04911	6.3
107.08598	8.1
109.02850	24.3
109.06522	12.0
109.10149	17.3
111.08068	7.5
120.08046	5.9
121.06480	8.8
121.10075	7.2
127.03895	47.9
127.11148	12.3
130.04939	7.9
133.10126	8.5
135.08020	18.1
145.04959	25.3
147.07671	6.4
147.11658	6.0
149.02361	6.2
149.09573	6.6
151.11102	12.3
153.12723	39.5
155.14275	100.0
156.14616	6.7
159.02847	21.9
169.12268	7.2
171.13748	12.4
177.09175	6.6
189.12688	6.8
195.13791	17.0
231.04912	7.2
235.13277	7.2
417.68924	4.6
419.12677	7.3
419.17422	8.1
434.06448	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	420.1857
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70325	1.1
57.03427	20.9
58.65133	1.1
59.04993	3.1
60.04507	2.3
61.02915	1.4
69.03417	72.4
70.03806	1.2
70.58376	2.0
70.58727	2.9
71.01341	1.7
73.02905	4.7
73.62192	1.0
75.04465	2.1
79.05485	2.4
81.03394	3.4
85.02892	55.2
87.04455	50.3
89.82285	1.0
91.05465	100.0
92.05800	3.3
95.30410	1.2
97.02879	71.8
98.03206	1.6
98.21429	1.5
99.04459	3.7
103.03886	1.4
105.07024	4.7
107.04936	8.2
109.02877	1.6
111.83940	1.2
115.03910	85.1
116.04234	2.2
117.05475	2.5
119.04913	1.1
122.84501	1.2
127.03909	6.4
129.07010	1.8
133.04942	91.8
133.06526	3.6
134.05353	1.3
145.04930	11.5
145.06464	3.1
150.07608	11.9
161.04466	3.6
163.06036	2.9
169.05023	1.7
171.08078	1.1
175.07547	3.8
205.08551	2.0
217.08601	3.4
223.06123	2.7
223.09610	13.1
229.07043	1.6
235.09621	3.5
241.07074	4.0
253.10683	3.9
259.08151	7.5
271.11801	1.4
277.09180	3.3
295.10123	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	418.3674
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05439	0.1
81.07022	0.1
83.04870	0.1
85.27775	0.1
91.05445	0.2
93.07007	0.1
94.06551	0.2
99.32007	0.1
107.07322	1.4
119.06875	0.1
119.08608	0.1
120.08092	1.1
121.08839	0.4
134.08653	0.2
134.09630	3.2
135.10393	0.3
148.11159	0.6
151.09886	0.3
162.12737	0.5
164.10716	0.1
166.08594	0.3
176.14352	0.3
179.09390	6.9
180.06586	0.1
180.09711	0.2
182.89537	0.1
190.15852	0.3
191.12503	0.1
192.10179	4.5
193.10931	0.8
199.04343	0.1
204.17326	0.2
206.11736	4.8
206.18970	0.2
207.12109	0.2
218.19017	0.4
220.13371	0.7
232.20493	0.2
234.14928	1.1
246.22070	0.4
248.16463	0.7
262.18021	1.0
276.19470	0.4
278.21072	0.2
288.26810	0.4
290.21149	1.2
304.22549	0.3
318.24124	0.3
332.25681	0.5
332.32648	0.2
344.32993	0.2
346.34622	5.9
347.35010	0.6
358.34366	0.1
372.36142	0.5
373.22757	0.1
374.37772	0.8
418.36591	100.0
419.37027	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	418.1702
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.2
55.01849	1.1
55.05503	100.0
60.04484	1.1
61.02895	1.0
65.03914	1.2
69.03413	3.3
69.07059	1.3
70.06583	8.5
71.34155	1.5
72.08124	3.0
73.06542	21.0
79.05469	1.3
81.03416	2.2
81.07051	1.6
83.04975	1.0
84.04503	1.9
84.08128	3.1
85.02890	8.4
86.09702	7.2
87.00843	1.4
91.05484	1.5
91.07583	83.8
96.80983	0.8
97.02859	4.3
98.06040	1.1
99.08067	1.0
105.01844	1.9
105.07005	1.5
105.27352	0.9
107.08597	1.3
109.02863	1.3
116.07093	1.2
120.08088	2.8
121.02856	5.1
127.03885	4.5
129.10185	1.2
132.10294	0.9
135.08089	1.1
137.33867	0.9
145.02872	1.8
145.04993	1.9
149.02322	96.9
150.02652	1.6
153.05392	1.7
167.03372	2.5
177.05414	5.1
193.08699	1.0
196.10672	1.0
197.45160	1.0
221.08078	24.8
221.10092	1.7
239.09084	9.8
275.58231	0.9
287.05426	1.3
303.04996	1.7
380.30396	1.1
395.07248	1.3
418.25827	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.2064
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00932	0.4
66.19556	0.3
70.63570	0.9
72.08138	0.7
72.77271	0.3
73.06548	0.9
73.75819	0.4
79.05476	0.8
86.09687	1.4
87.53951	0.4
91.05450	0.8
93.07027	1.2
103.05432	5.1
105.99590	0.4
107.04918	1.8
120.08080	100.0
121.08445	2.5
129.90182	0.4
131.04868	3.1
149.05934	2.4
156.70992	0.4
166.08604	58.4
167.08954	1.2
170.31296	0.4
280.91324	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.3674
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05481	0.5
57.03410	0.3
57.07051	0.4
63.56339	0.2
65.55279	0.2
67.05496	2.4
68.05795	0.6
69.03387	0.4
69.07027	0.5
69.79755	1.2
79.05468	0.8
80.05785	0.3
80.36275	0.2
81.06583	0.2
81.07046	2.8
82.07346	0.8
84.08933	0.2
86.32946	0.2
87.04457	11.6
88.04742	0.2
91.05424	0.4
92.05762	0.2
93.05727	0.2
93.07032	1.0
94.06513	0.4
94.07360	0.3
95.04947	0.2
95.08588	1.9
95.26969	0.2
96.08920	1.1
97.06501	0.3
97.10118	0.3
98.97846	0.3
98.98447	4.0
105.07007	0.4
107.07317	6.8
107.08524	0.5
109.10143	1.0
110.10461	0.4
119.08540	0.5
120.08089	3.3
121.08884	1.0
121.10088	0.5
122.10434	0.4
123.11652	0.6
124.11989	0.2
133.10049	0.5
134.08635	0.3
134.09624	3.1
134.10524	0.3
135.11690	0.3
137.13251	0.2
143.08540	0.2
145.10170	0.2
148.11121	0.3
152.15103	0.2
155.01015	3.9
156.01318	0.7
159.11647	0.3
162.12662	1.0
164.15039	0.2
176.14270	0.4
179.55667	0.2
189.05840	0.2
190.15907	0.6
193.10963	0.5
204.17368	0.4
206.11716	0.2
206.19107	0.4
218.19060	0.8
220.13419	0.2
220.20633	0.3
229.51183	0.2
232.20505	0.5
246.22949	0.9
263.23694	0.5
264.23996	2.6
282.76620	0.2
296.11591	0.2
330.31662	0.3
331.31900	0.3
332.33054	50.7
333.33392	2.2
356.35098	0.4
418.36719	100.0
419.37082	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	418.1699
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	0.5
56.05030	0.6
59.04981	1.6
60.04515	0.4
61.02924	0.4
67.05471	0.3
69.03410	1.0
69.07043	0.7
70.06587	3.3
70.62945	0.8
72.08149	3.2
73.02922	0.3
73.08487	0.4
74.06065	0.3
79.05492	0.3
80.72684	0.3
81.03412	0.6
81.07068	0.3
84.04477	1.1
84.08119	2.0
85.02904	2.0
85.62482	0.3
86.09696	3.6
87.10045	0.8
91.05469	2.8
97.02862	0.7
102.05502	0.4
105.07042	0.5
107.04910	0.8
107.08579	0.6
109.02853	0.5
109.10102	0.3
110.07124	0.8
116.07034	0.4
119.08548	0.8
120.08067	0.8
121.02084	0.5
121.02860	4.8
121.06457	0.7
123.08071	0.3
124.96471	0.3
127.03915	0.5
129.06972	0.4
129.10226	1.3
135.07996	0.5
138.26892	0.3
139.03886	0.3
145.02823	5.9
145.04869	0.3
147.04410	0.5
147.08063	1.9
147.11652	0.9
157.06415	0.7
161.06004	0.8
163.03885	100.0
164.04222	1.8
165.01817	1.1
175.03947	1.0
175.07533	1.7
175.11171	1.2
185.05974	2.3
194.08871	0.3
203.07002	12.9
204.07365	0.4
221.08078	6.4
221.11671	2.8
232.06720	0.4
234.99049	0.3
239.12752	0.4
255.12144	0.8
256.12598	1.9
320.20380	0.3
330.43030	0.3
382.11929	0.6
419.14624	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.1701
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	1.6
55.05491	1.8
56.05017	1.0
57.03426	1.0
60.04511	0.8
61.02912	1.7
62.06060	2.5
67.05495	1.2
69.03401	2.6
69.07052	1.8
69.69625	5.0
70.06583	8.4
71.04972	2.4
72.08143	9.7
73.08476	1.6
74.06059	1.1
76.22719	0.7
78.83559	0.8
79.05499	1.1
81.03410	1.3
81.07014	0.9
83.04954	0.7
84.04499	2.1
84.08120	3.7
85.02896	5.7
86.09698	9.5
87.10000	2.3
91.05459	5.4
93.07035	0.8
95.04937	1.6
97.02872	2.1
99.04415	0.9
102.05507	0.8
103.05441	0.9
105.03365	1.4
105.06995	1.3
105.78271	0.7
107.04926	5.1
107.08538	1.4
109.02886	1.0
109.06527	1.1
113.05975	0.8
115.05419	1.0
117.07006	1.5
119.08525	3.6
120.08057	2.1
121.02802	1.6
121.10139	0.7
123.11697	0.9
127.03869	1.2
129.06987	1.9
129.10190	2.8
131.04909	1.2
131.08589	1.0
135.07941	0.9
136.07474	0.8
137.05914	1.0
143.11746	1.8
145.04887	1.5
147.04379	2.9
147.08020	25.4
149.09554	0.9
151.03891	9.0
157.06450	0.9
160.05235	1.0
161.05901	0.9
163.03934	4.1
163.05048	0.7
164.21774	0.6
165.01804	3.5
171.11441	0.8
175.07530	14.5
177.09062	2.4
179.03349	0.7
185.05908	1.2
187.08649	2.0
193.08572	28.5
194.08922	0.8
203.06987	29.3
203.10661	1.0
207.13768	1.2
221.08051	100.0
222.08380	2.2
239.07004	1.1
239.09166	4.3
246.14917	1.3
248.13100	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2782
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	5.0
55.05491	14.8
57.07070	7.1
65.03926	3.9
67.05498	48.0
69.03411	4.3
69.07056	20.6
71.04965	7.3
71.63396	6.7
75.66288	3.4
78.81315	3.4
79.05473	23.2
80.17562	3.9
81.07046	57.7
82.98720	3.4
83.08607	10.7
85.02861	5.1
86.06615	3.2
87.04431	3.8
88.56638	3.3
91.05461	38.1
93.07030	48.9
95.04924	10.8
95.08601	51.4
97.06475	5.0
97.10131	3.9
98.06043	5.3
98.98459	33.2
102.34042	4.8
105.07011	65.6
107.08573	50.9
109.06501	82.8
109.10143	31.0
111.08057	5.7
116.06243	4.6
117.06982	16.0
119.08574	66.7
121.06482	6.2
121.10118	60.1
123.08032	9.0
123.11667	23.1
129.06955	15.8
131.03363	4.5
131.08527	33.8
133.06468	5.7
133.10114	64.3
135.08022	15.7
135.11685	37.0
137.05931	6.4
141.06995	8.8
142.07762	15.6
143.08568	31.6
145.10114	35.7
145.29189	4.2
147.08020	11.2
147.11647	18.0
149.09605	8.7
149.13277	4.8
155.01044	39.5
155.08525	18.3
156.09293	10.3
157.10127	46.6
158.10730	4.3
159.07990	14.5
159.11685	23.6
161.09576	12.6
161.13248	6.7
163.07608	5.1
163.11174	4.4
163.14886	5.5
165.07014	6.5
167.08559	6.9
168.09349	6.2
169.10106	24.0
171.11714	20.3
173.09564	12.3
173.13268	24.1
175.11168	13.1
175.14783	18.1
179.08533	10.8
180.09340	7.8
181.10117	15.5
182.10884	7.3
183.11668	20.4
185.09549	6.7
185.13248	15.5
187.11191	6.5
187.14775	15.8
191.08481	5.5
192.09283	6.9
193.10083	21.4
194.10832	6.5
195.11696	22.2
197.09593	6.2
197.13184	12.6
199.11147	10.0
199.14795	10.0
201.16292	5.0
203.03273	4.8
203.10609	5.8
206.10774	7.0
207.11615	13.3
208.12292	5.9
209.13245	19.8
211.11194	6.0
211.14778	13.5
212.15485	4.2
213.12502	4.6
213.16266	10.7
215.10623	4.9
218.10844	3.8
219.11627	4.7
220.12326	5.0
221.13255	10.6
222.13783	4.4
223.11133	4.0
223.14847	8.7
225.12679	10.5
225.16367	5.3
227.14137	5.7
231.11607	6.5
231.17229	5.2
233.13284	11.2
235.14783	15.0
237.12596	7.9
237.16286	8.7
239.14148	9.8
239.17818	6.8
242.21085	5.0
243.21455	6.1
245.13216	6.4
245.22607	5.0
247.14708	7.2
249.12779	5.4
249.16283	7.5
251.14284	8.4
251.17957	4.8
253.15790	8.8
253.19511	4.4
257.08160	6.2
259.14661	6.5
261.16321	5.4
263.18176	4.3
263.23660	17.2
277.15723	5.6
281.18979	6.5
288.26846	8.3
293.19217	4.5
295.16910	7.4
331.31696	5.1
341.22574	7.2
357.25507	10.0
358.27341	20.8
359.23547	10.8
374.25708	4.6
375.26794	13.8
387.31485	3.8
399.19992	3.4
399.21710	3.7
399.26810	28.8
417.27701	100.0
417.33484	6.0
417.35974	11.8
418.28915	13.0
418.33636	6.7
418.38406	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	417.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21018	0.5
55.05500	8.5
56.05019	0.9
57.05800	1.3
60.04521	0.8
69.03425	0.9
69.07058	6.1
70.06582	9.4
71.06927	0.7
71.38827	0.9
72.08142	100.0
72.71390	0.5
72.93789	0.9
73.08482	0.7
74.06060	0.8
81.03420	0.7
81.07012	0.7
84.04497	1.6
84.08144	3.3
85.02896	1.9
85.04023	0.9
86.09690	48.7
87.05590	0.9
87.10033	0.9
88.03970	8.9
90.94824	0.7
91.05462	0.7
93.07078	0.6
95.04924	0.6
96.08128	2.0
97.02876	0.8
98.02415	1.8
100.03975	0.6
102.05549	0.7
110.07117	1.3
110.09668	0.7
113.10780	0.8
120.08109	1.1
129.10254	2.3
132.95837	2.5
133.06111	2.1
138.09157	1.1
141.10194	6.7
142.08627	1.6
143.11812	2.4
144.95872	1.0
145.04916	0.7
147.04410	1.1
148.06010	1.1
150.96858	1.5
156.10170	13.6
157.13339	0.7
158.97411	1.0
162.96855	1.1
166.08630	0.7
171.11281	1.4
174.96921	2.5
176.98395	0.6
183.11246	3.0
184.09753	1.6
185.16513	1.9
187.10780	1.1
189.12306	39.2
192.97960	0.7
201.12303	61.3
202.12657	0.8
203.13892	1.0
204.85078	0.6
205.10094	0.5
205.11789	1.1
213.15994	1.9
215.10283	0.9
216.97975	0.9
221.08044	1.1
229.11794	41.8
230.12112	1.5
234.98926	5.6
242.99538	1.7
243.13499	0.7
247.12880	1.9
255.15817	1.0
270.18036	0.5
271.02621	0.6
273.00656	0.8
275.02045	0.5
282.18002	0.6
283.16479	1.2
312.22791	0.6
328.18674	9.0
328.22266	0.8
331.04736	3.0
407.72101	0.6
417.11771	0.8
417.23703	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	416.3878
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67960	0.2
70.49783	0.3
70.50169	0.3
70.92031	0.2
84.58459	0.2
87.04436	0.2
107.07317	0.3
117.05761	0.3
118.06531	4.0
119.07375	0.2
130.06497	0.4
131.07349	0.3
132.08061	2.4
133.08852	0.4
144.08076	0.4
146.09627	6.2
146.10744	0.4
147.03592	0.2
151.09915	0.3
160.11221	0.8
162.09122	5.3
164.10725	0.2
174.09167	0.4
176.10690	5.1
177.11505	0.8
188.14314	0.4
190.12238	8.3
202.15999	0.3
204.13823	1.8
216.17535	0.5
218.15352	0.5
230.19089	0.3
232.16920	0.5
232.20644	0.2
244.20683	0.4
246.18625	0.5
246.22208	0.3
258.22266	0.3
260.20175	0.6
272.23785	0.2
274.21661	0.8
288.23364	0.5
302.24847	0.5
316.26486	0.3
316.29895	3.5
316.33041	0.2
317.30524	0.2
330.31506	0.9
333.37482	0.2
372.36179	8.1
373.36545	0.4
416.38971	100.0
417.39362	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	417.222
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	2.2
55.05503	3.6
56.05015	6.2
56.70961	1.3
67.05485	5.2
69.03453	1.6
69.07054	4.4
70.06577	5.4
71.04977	3.6
72.08156	2.4
79.05466	4.9
81.07049	17.2
83.04961	7.2
83.06088	12.2
83.08619	2.3
84.04491	94.1
84.08122	1.9
85.06542	2.0
86.09698	19.7
91.05475	6.9
93.07030	19.7
95.04958	4.7
95.08603	8.3
96.75654	1.3
97.02911	1.5
97.06519	8.2
98.21542	2.9
99.04435	4.4
100.07593	2.1
101.07123	15.3
102.05527	13.8
105.07018	13.5
107.04935	3.0
107.08569	11.9
109.06506	7.9
109.10119	2.7
111.08041	9.6
117.06982	2.1
118.23399	1.5
119.08558	6.1
121.06504	15.5
121.10114	2.1
123.08047	2.6
123.11651	3.1
125.05956	7.6
127.07506	3.0
129.06566	29.0
130.04985	100.0
133.10141	7.9
135.04420	2.2
135.08073	8.1
137.05943	2.0
139.07498	7.5
143.07011	3.5
143.08536	3.0
145.10088	2.0
147.07619	57.6
147.11655	16.0
151.11189	1.7
157.08604	3.3
157.10083	4.3
161.09619	1.6
161.13257	2.7
165.12767	5.6
167.07036	5.3
169.12210	5.9
170.55312	1.4
171.10277	1.7
171.11661	6.5
173.09503	1.8
175.11185	13.1
181.04872	1.6
189.12709	9.9
191.14250	3.4
193.12259	10.4
199.11134	7.7
207.13817	4.3
211.13275	7.5
217.12218	25.2
218.12607	1.6
226.10805	1.9
229.14304	1.6
234.14879	2.9
235.13190	13.7
247.12799	3.3
252.15970	8.4
253.14314	12.0
270.16980	16.1
288.18042	6.6
318.17026	1.8
336.17981	4.2
345.18115	2.9
346.16553	1.6
354.19165	8.3
363.18964	6.2
364.17578	4.1
381.20221	8.0
382.18842	4.0
399.21280	25.4
400.19577	1.8
417.22006	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	416.388
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43344	0.1
63.93634	0.1
69.49389	0.6
69.49816	0.7
105.57096	0.1
118.06542	4.0
124.71252	0.1
131.07341	0.2
132.08058	2.0
133.08868	0.5
144.08115	0.4
146.09630	5.0
146.10724	0.3
147.77153	0.1
151.09920	0.2
160.11201	0.9
162.09135	7.3
163.09573	0.3
172.11325	0.2
174.09276	0.2
174.12880	0.3
176.10695	4.2
177.11490	1.0
188.10522	0.2
188.14410	0.4
190.08725	0.6
190.12241	8.3
191.12816	0.2
202.15909	0.4
204.10246	0.5
204.13795	1.8
216.17467	0.2
218.11714	0.9
218.15411	0.6
230.19072	0.3
232.16818	0.9
244.20712	0.5
246.18619	0.6
246.22250	0.3
250.70111	0.2
258.22220	0.3
260.20163	0.6
260.23547	0.2
272.23691	0.4
274.21677	0.7
274.24606	0.2
288.23172	0.9
302.24908	0.5
315.38528	0.2
316.26422	0.4
316.30048	0.5
344.33182	0.4
372.36194	7.4
373.36752	0.5
398.37781	0.3
416.38962	100.0
417.34363	0.3
417.39313	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	416.3518
Annotation	Soladulcidine
Peak:m/z	Relative Intensity
50.01099	0.1
55.01866	1.1
55.05493	1.2
57.03405	0.5
57.07043	0.5
66.44482	0.2
67.05168	0.2
67.05491	3.2
69.03392	0.2
69.07056	2.5
69.75898	1.0
71.04954	0.2
79.05475	1.0
81.06573	0.2
81.07039	3.5
83.04973	0.2
83.08602	1.4
85.06533	0.2
86.09638	0.2
87.04453	12.7
91.05461	0.8
93.05772	0.2
93.07028	1.1
95.04935	0.3
95.08586	3.1
97.06493	0.3
97.10127	0.3
98.98450	4.1
99.08012	0.2
99.46353	0.2
100.99377	0.1
105.06993	0.5
106.06533	0.2
107.07293	0.5
107.08585	0.8
109.10137	1.5
115.05428	0.2
117.07030	0.2
118.06520	7.5
119.07318	0.2
119.08547	0.5
120.08064	0.3
121.10089	0.7
123.11649	0.6
125.09589	0.2
130.06474	0.2
131.07214	0.3
132.08070	3.9
133.08823	1.4
133.10080	0.7
134.09628	0.2
135.11626	0.4
137.13217	0.3
144.08046	0.3
145.06491	0.2
146.09619	8.9
147.10443	0.2
147.11609	0.3
149.13182	0.4
151.14732	0.3
153.12706	2.3
153.80899	0.2
155.01019	5.7
160.11205	1.5
161.05919	0.2
161.13229	0.4
163.14758	0.4
165.16324	0.4
173.02119	0.2
174.12755	0.7
175.14783	0.4
187.03807	0.4
188.14279	0.7
189.05420	0.5
191.03308	0.2
202.15836	0.6
203.03357	0.2
203.07022	0.3
204.10162	0.9
204.17372	0.2
215.03271	1.2
216.17351	0.7
218.11774	0.6
218.18813	0.4
219.06476	1.3
219.12498	0.2
230.19029	1.0
232.03651	0.4
232.13358	0.8
232.20573	0.6
244.20598	0.8
245.22647	1.3
246.22141	0.8
247.06001	5.9
258.22256	0.2
263.23639	3.3
265.06970	0.2
274.93311	0.2
330.31488	47.9
331.31842	3.1
332.09827	0.2
365.41937	0.1
416.35141	100.0
417.18906	1.1
417.35486	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	416.3002
Annotation	Arg Lys Leu
Peak:m/z	Relative Intensity
52.12476	0.2
53.03942	0.5
53.97255	0.3
55.01871	0.3
55.05504	2.0
56.05024	0.8
57.03431	0.4
57.07055	1.1
60.04515	0.9
64.87505	0.3
67.05498	2.7
68.05015	1.2
69.03415	1.8
69.07050	2.1
70.06583	4.7
70.08583	1.5
71.04971	0.4
71.08618	0.4
72.08163	0.4
78.21136	0.3
79.05498	1.8
80.04997	1.8
81.03411	5.1
81.07053	2.5
82.06561	1.1
83.04971	2.7
83.06087	0.5
83.08611	1.2
84.04493	0.8
84.08141	0.4
85.02898	0.7
86.06058	4.5
86.09695	0.5
87.04458	10.1
91.05450	1.4
93.07050	1.9
94.06548	1.2
94.11692	0.3
95.04961	1.7
95.08585	1.8
96.08127	0.8
97.06542	0.3
97.10129	0.6
98.05402	0.6
98.06043	12.4
98.21408	0.3
100.07622	0.5
102.05521	0.9
103.05448	0.5
103.20243	0.3
105.07010	0.9
107.08612	0.6
108.08119	1.2
109.10127	0.9
110.06025	0.5
110.07157	0.4
111.04420	1.7
111.59110	0.3
112.07603	0.6
116.07090	2.0
119.08575	0.7
120.06557	0.4
120.08102	0.5
121.06493	5.4
121.10106	0.6
122.06815	0.4
123.08047	0.3
124.07587	1.9
126.05490	0.5
128.07079	2.4
129.06569	0.5
133.10101	0.4
136.07568	1.8
140.06992	0.5
142.08665	0.9
146.08035	0.5
148.07594	0.9
150.09116	0.7
154.08649	0.6
162.09157	0.9
166.08640	2.1
168.10153	0.3
170.08139	0.9
177.05426	0.8
178.08649	0.4
180.10173	0.9
184.09700	0.7
184.20590	0.9
188.09148	0.8
194.11682	0.7
206.10205	3.2
214.10767	0.7
234.22139	0.4
248.23746	1.1
252.23112	0.8
264.23279	1.0
266.24783	0.4
269.03241	0.6
270.24261	2.8
276.23108	0.4
294.24258	1.0
310.27368	2.7
312.25351	0.4
315.06549	0.3
316.26315	0.6
320.25842	1.2
334.27280	2.2
336.25198	0.4
338.26892	0.6
340.69629	0.3
350.26837	1.0
352.28262	1.9
362.26740	0.4
371.07874	0.7
380.27881	3.9
381.28815	0.3
398.28952	4.8
399.10709	0.4
416.30017	100.0
417.22070	0.5
417.30399	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	416.3517
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88239	0.1
55.05484	0.7
57.03416	0.4
57.07042	0.3
57.44551	0.2
65.51900	0.1
67.05500	2.4
69.07032	0.7
69.46379	1.6
71.08572	0.2
79.05489	0.8
81.07048	3.0
83.08572	0.5
87.04458	13.9
91.05439	0.7
93.05795	0.2
93.07018	0.9
95.08032	0.3
95.08594	3.2
97.06496	0.2
97.10143	0.3
98.06014	0.2
98.97869	0.3
98.98455	3.6
105.05448	0.2
105.07011	0.5
106.06555	0.3
107.07307	0.5
107.08554	0.7
109.10139	1.2
111.08020	0.2
113.62276	0.2
118.05683	0.4
118.06529	7.2
119.07355	0.2
119.08544	0.5
120.08050	0.3
121.10110	0.6
123.11668	0.7
130.06476	0.3
131.07338	0.2
131.08409	0.2
132.08069	5.4
133.08821	1.3
133.10083	0.7
134.09613	0.3
135.11697	0.3
137.09575	0.2
137.13243	0.6
144.08040	0.3
146.09625	9.9
147.10034	0.3
147.11638	0.3
149.13248	0.2
151.14783	0.4
155.01024	5.4
160.05054	0.2
160.11205	1.8
161.13223	0.3
165.16331	0.4
170.09143	0.2
174.12776	0.7
188.12698	0.2
188.14236	0.8
189.16489	0.2
202.15886	0.7
204.10143	0.5
204.17468	0.2
216.17366	1.0
218.11711	0.7
218.19017	0.9
230.19040	0.8
231.06578	0.2
232.13344	0.9
232.20517	0.8
242.21211	0.3
244.20514	0.4
245.22661	0.9
246.22102	0.3
258.22021	0.2
263.23645	3.0
288.19556	0.2
330.31509	45.2
331.31769	3.5
416.35184	100.0
417.16968	0.5
417.35480	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	415.1594
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.7
55.01852	2.6
55.05491	1.5
57.03427	2.1
60.73124	0.7
61.02910	1.9
65.03925	1.9
67.05489	2.0
69.03067	1.0
69.03420	11.8
69.07059	1.9
69.53909	6.4
70.06581	7.8
71.04998	5.0
72.08150	5.1
73.02886	1.8
79.05485	3.8
81.03406	17.4
81.07037	4.9
83.04973	2.4
84.04480	2.0
84.08121	4.2
85.02893	61.2
86.09695	14.1
87.00789	0.9
87.04446	1.0
91.05468	100.0
92.05786	1.8
93.07034	7.3
95.04942	2.3
95.08575	2.2
97.02875	14.7
97.06535	3.9
99.04443	34.4
102.05494	0.8
103.03927	76.9
105.01858	1.5
105.07025	6.1
107.04967	1.7
107.08562	4.2
109.02869	16.5
109.06496	2.1
109.10155	1.5
111.08047	1.2
113.05968	0.8
115.03919	0.9
117.07015	0.9
119.04926	0.8
119.08551	3.5
120.08037	1.9
121.06516	3.7
121.10132	2.4
123.08038	1.4
123.11665	1.1
125.06033	1.3
127.03902	84.2
128.04224	1.2
128.06203	1.1
129.06990	4.1
129.10197	2.0
130.04942	1.2
130.06516	1.2
131.08560	1.4
133.06482	0.8
133.10147	2.8
135.08081	1.6
137.05956	1.3
139.07495	1.6
141.05363	1.0
143.08572	2.0
143.11816	1.4
145.04939	48.0
145.10104	2.0
146.05315	1.0
147.11681	5.9
148.95404	0.8
149.09598	1.4
151.07562	0.8
157.08670	1.2
157.10109	1.8
157.13254	0.9
159.09224	0.9
161.13248	0.9
163.05997	36.8
165.12733	4.4
167.03558	0.9
167.07018	1.2
171.08022	2.0
171.11548	2.5
175.07570	1.4
175.11140	2.2
177.05534	1.7
183.14902	0.8
186.07669	1.5
187.05997	6.5
189.12575	1.8
191.14247	0.9
193.12231	2.8
199.07568	3.1
199.11221	1.2
199.18037	1.2
205.07097	4.4
206.57933	0.7
207.13774	0.9
213.15625	0.8
217.08664	5.0
217.12186	5.9
229.14430	1.7
231.17113	0.8
235.09624	1.6
235.13251	6.0
235.16962	0.8
245.18584	1.2
253.07253	0.8
253.14352	3.3
271.08078	2.9
284.19687	0.9
289.09128	1.6
307.10135	1.3
397.18448	2.9
415.14801	1.7
415.20319	3.7
415.26782	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	415.1958
Annotation	Dichotomoside E
Peak:m/z	Relative Intensity
51.02377	0.9
53.03939	4.2
53.64764	0.8
55.01853	2.7
55.05505	5.8
57.03410	1.3
59.05003	1.1
65.91759	0.8
67.05494	5.8
69.03412	2.2
69.07059	4.4
69.64619	2.3
69.65045	4.3
70.06582	1.9
71.04978	6.9
72.08082	1.1
73.68990	0.9
77.03886	1.1
79.05481	24.0
81.03409	16.0
81.07046	41.8
83.04960	3.8
83.57809	1.0
85.02888	1.7
85.06516	7.8
86.09676	1.3
91.05463	19.3
93.07030	65.0
94.07372	0.9
95.04957	8.7
95.08580	3.5
97.06520	22.0
98.85892	0.8
99.04442	24.6
101.06004	2.5
103.05431	1.0
105.07018	31.7
107.04942	3.2
107.08585	12.2
109.02863	10.7
109.06500	23.8
109.10137	2.6
111.04456	1.1
111.08076	1.6
113.05988	2.6
115.07545	3.0
117.07025	2.5
119.04920	2.8
119.08560	24.2
121.06488	72.0
121.10140	2.9
123.04439	1.9
123.08064	2.3
125.05981	2.0
127.03893	3.0
127.07536	16.5
128.06194	2.1
129.06978	8.0
131.08540	6.9
133.06497	6.5
133.10109	13.8
135.04387	3.2
135.08031	3.2
135.11687	2.0
137.05980	6.8
137.09692	1.1
139.07526	31.3
141.05423	2.7
141.06940	1.6
142.07756	9.7
143.08540	13.9
145.10091	8.7
147.08046	6.0
147.11664	33.6
149.05923	1.3
151.07469	1.1
155.08543	2.8
156.09314	7.1
157.06442	0.9
157.10114	30.8
158.07161	0.9
159.08031	1.2
159.11664	2.1
161.05945	1.0
161.09627	5.0
161.10751	0.9
161.13219	8.1
166.07809	2.3
171.07974	1.1
171.11667	27.0
173.09596	4.4
173.13242	1.4
175.07585	1.7
175.11157	25.2
176.11423	1.0
181.10135	2.8
184.08838	1.7
189.12714	48.6
190.13094	1.0
193.12231	5.3
199.11160	26.1
207.13788	23.5
211.16856	2.0
217.12210	100.0
218.12547	2.1
235.13260	69.8
236.13618	1.9
253.14326	23.2
283.11646	1.5
361.16159	1.2
379.17429	16.9
397.18561	19.5
398.18951	1.1
415.24365	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.0995
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93607	4.2
53.06675	3.6
55.01863	4.9
56.96560	19.0
61.02917	5.1
66.74352	3.8
69.03399	11.4
70.06583	25.5
71.04974	3.2
71.61990	6.5
72.08138	12.4
81.03391	5.6
84.04499	9.4
84.08125	14.7
84.96036	7.6
85.02891	32.9
86.09694	14.2
87.04463	3.9
97.02876	12.6
98.97565	32.9
100.44191	3.7
102.05508	3.7
107.04919	6.0
109.02886	4.8
110.07143	5.8
112.99148	10.8
116.98610	32.3
117.03339	4.3
119.01900	5.0
119.04868	4.6
123.05536	4.7
127.03893	8.0
128.98576	16.2
129.10229	5.2
131.00157	24.5
134.99632	14.6
135.04362	7.4
136.06134	21.5
145.04994	6.5
146.99644	10.2
147.04384	4.7
149.01198	26.0
152.05634	16.8
156.90559	3.8
157.09631	4.0
158.99599	7.6
161.01187	6.3
163.03862	21.9
165.00659	6.4
175.02837	8.0
177.00662	14.0
177.02211	3.6
177.71201	4.0
189.00716	6.2
192.78513	4.5
193.01886	4.0
193.03796	16.0
202.04947	4.9
211.02840	4.1
211.04770	8.1
219.01823	14.5
227.02312	4.7
229.00241	4.2
234.00371	3.8
235.04781	38.6
236.96474	3.8
237.02776	31.8
241.03275	4.4
253.05969	9.1
279.04071	6.9
284.12512	6.5
294.05957	6.2
294.30768	3.6
355.06989	16.4
373.03973	7.6
373.08127	19.7
415.04950	4.9
415.09940	100.0
416.10434	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	415.0944
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05482	4.3
69.07045	1.7
70.06571	2.4
71.28976	1.9
71.29333	1.3
79.05486	3.1
81.07046	4.2
84.08119	2.9
84.91166	1.3
85.70317	1.1
91.05444	2.7
93.07018	2.3
95.04980	1.2
95.08612	2.1
97.06511	1.0
98.09684	1.9
98.20866	1.4
102.85258	1.0
105.06980	2.5
107.08584	1.4
117.06973	1.8
119.08546	1.7
121.10170	1.2
129.07005	3.5
131.04869	1.4
131.08578	1.8
132.05679	1.0
133.10123	1.2
137.05962	1.3
141.06969	1.9
142.08638	4.9
143.08534	1.9
145.10081	1.4
149.02260	1.4
155.08548	2.2
159.11700	1.3
163.03870	3.2
165.05446	8.1
165.06790	1.4
167.08549	1.8
169.10052	2.2
170.19786	1.3
171.11658	1.5
175.03949	1.4
187.11299	1.6
190.09483	1.9
193.04964	7.0
199.07535	1.1
206.05701	1.7
207.06526	2.3
210.14685	1.1
211.07649	1.2
213.09142	1.7
220.98901	1.5
221.04466	3.1
229.08498	1.2
232.99051	1.5
244.99040	2.5
247.00679	1.5
257.08115	3.3
262.99957	2.9
272.98425	8.7
273.01367	1.6
278.99457	2.4
284.98581	1.8
285.01978	2.1
287.03659	3.6
289.01596	1.9
290.99490	15.8
299.00153	1.3
301.01508	1.7
303.03058	2.9
304.97302	2.3
305.01526	1.1
305.04608	6.0
309.00574	8.5
313.01590	2.9
313.98630	2.8
314.99689	1.6
315.03012	8.9
317.00946	1.3
321.04147	2.4
323.05872	1.6
323.19992	2.4
326.99490	2.6
329.00961	5.8
331.02707	1.7
333.00211	1.7
333.04181	27.6
334.04385	2.4
341.20993	3.5
347.01978	11.2
351.05215	34.5
356.05774	5.5
369.06354	2.7
374.06802	100.0
375.07019	6.6
383.07565	6.1
392.07767	11.9
393.08282	1.5
415.09485	16.4
415.19742	2.0
415.24680	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	414.1963
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	2.1
57.03429	17.4
57.07057	2.5
59.04973	3.3
60.04493	2.7
60.71851	1.7
64.65990	1.6
69.03419	69.2
69.07053	3.5
70.06584	27.0
71.06928	2.2
71.61855	2.1
72.08148	10.6
73.02896	2.2
74.06050	1.7
74.09691	4.8
81.03379	5.8
81.07021	1.9
84.04484	5.7
84.08128	20.1
85.02888	60.8
85.03407	2.9
86.09689	16.5
87.04454	50.4
87.05566	2.9
88.03917	1.8
91.03963	2.1
91.05439	6.0
93.07027	2.6
94.06517	1.7
97.02277	3.4
97.02878	60.7
97.06448	2.3
102.05508	3.9
103.05486	2.2
105.07011	2.9
107.04915	2.2
107.08557	1.7
109.02808	2.5
110.07181	2.7
110.09756	1.8
115.03909	88.0
116.07057	2.1
120.08083	6.1
127.03900	9.0
129.10196	11.5
130.04979	2.2
131.08493	1.9
133.04948	100.0
136.07561	4.1
145.04924	17.3
147.04364	4.4
147.06400	2.0
147.07617	2.5
149.05971	2.1
149.50879	1.7
150.07588	7.6
155.08078	1.9
162.07642	1.9
163.05968	7.6
173.12875	2.3
175.07417	1.9
177.09096	4.7
179.03323	3.2
180.08594	2.1
189.09085	8.1
207.10123	3.5
217.08565	12.7
217.10295	2.1
221.07991	3.4
235.09578	12.3
241.06932	3.0
247.11783	2.3
253.10675	31.3
259.08072	6.6
277.08929	3.1
295.10071	3.2
414.17688	2.8
414.25330	2.1
415.02972	2.3
419.99567	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.1748
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91589	1.4
53.03931	4.5
55.01870	7.5
55.50146	1.4
57.03425	1.7
58.08927	1.5
61.02909	2.9
62.97157	1.5
65.03923	5.3
67.05476	2.7
69.03423	7.7
70.03720	1.9
70.06583	13.6
71.01331	1.6
71.02451	1.9
71.02800	3.0
72.28908	1.6
73.02869	2.0
77.03960	1.9
79.01833	2.5
79.05473	5.6
80.18085	1.5
81.03404	10.9
83.04969	4.0
84.08126	5.6
85.02880	10.0
86.09689	5.2
91.05466	13.6
93.03387	6.0
93.07014	3.7
95.04945	5.3
95.08554	2.4
97.02858	5.7
97.06487	1.9
99.04418	2.0
103.05470	4.4
105.03381	4.1
105.07008	12.1
107.04946	9.6
107.08557	1.6
109.02851	11.5
109.06498	1.6
115.05439	12.4
117.06994	5.2
119.04923	2.4
119.08556	2.5
121.06513	2.3
121.10182	1.6
127.03889	5.9
127.05389	3.3
128.06197	100.0
129.07033	29.2
129.10199	2.9
130.07323	2.1
131.04900	3.5
131.08553	3.0
133.06374	2.3
133.10213	1.9
135.07932	2.0
137.11917	1.6
141.06979	4.8
143.08528	20.4
145.04955	3.4
145.06465	10.5
146.06946	2.2
147.08034	3.8
147.11699	5.0
149.06010	2.7
150.34961	1.7
152.06194	14.0
153.06999	17.3
154.07643	2.5
155.06010	7.7
157.06471	28.7
158.06868	2.2
160.05164	2.7
161.05502	2.1
161.09601	2.5
167.07066	12.4
169.06451	3.9
171.08032	30.5
175.07487	9.4
176.07878	2.6
181.06406	1.7
185.05963	2.6
186.06229	3.5
188.04639	9.2
189.04985	18.7
190.05206	8.9
191.05417	6.8
194.84488	1.5
199.07492	20.4
203.07019	22.1
204.07320	36.3
205.07506	19.5
206.07724	15.9
208.09372	1.7
217.08528	5.2
231.06506	16.0
232.06807	33.8
233.06995	19.9
234.07259	24.9
249.07512	11.8
250.07875	29.5
251.08093	20.5
252.08318	30.0
253.14346	2.8
271.15195	1.6
329.03317	2.2
361.12952	2.1
378.24640	2.6
397.18207	2.9
415.15164	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2313
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	12.6
57.07053	8.0
58.65099	1.6
59.59236	1.7
64.82757	1.7
67.05486	12.1
69.07038	9.2
70.49799	1.5
70.50147	7.0
71.08607	6.1
79.05494	2.5
81.07040	13.9
83.08593	8.0
85.10155	2.4
91.05413	2.2
93.07002	4.5
95.08579	13.2
96.47920	1.9
97.10146	5.2
105.88853	1.9
109.10123	5.4
119.68970	2.1
119.75063	1.8
124.29873	1.7
128.06126	3.1
129.06984	3.8
140.97050	2.2
141.06956	6.7
143.08510	4.0
153.06923	2.4
155.08525	3.7
157.06473	5.1
161.02213	2.0
161.05960	10.7
167.08488	2.6
169.06491	5.5
171.04387	2.9
171.08043	18.5
172.05196	2.6
173.05968	2.6
175.03905	4.0
175.07529	4.0
181.06441	13.6
182.07089	3.0
183.04308	2.7
183.08005	2.5
184.05132	12.7
185.05869	7.1
185.09651	4.1
186.03152	2.5
186.06641	3.6
187.07463	4.6
195.07980	6.0
195.85524	1.8
197.05983	5.1
198.06731	14.3
199.03842	18.1
199.07480	18.6
200.04657	11.9
201.05444	22.4
201.09111	2.1
202.05946	1.8
203.03328	7.4
205.04892	5.5
209.05920	11.7
209.09596	1.9
210.06767	4.1
211.07515	8.9
212.04637	36.7
212.07922	2.2
213.05417	23.7
213.09033	15.1
214.06226	16.6
215.06969	22.7
216.04149	12.4
217.04951	7.4
221.05919	5.7
222.06728	4.9
223.04010	2.6
223.07518	8.8
225.05421	8.4
225.09023	4.1
226.06195	18.4
227.06979	85.0
227.10393	3.2
228.07564	11.0
229.04869	10.5
229.08522	6.4
231.06432	11.4
235.07550	2.5
237.05379	5.2
237.09052	5.4
238.06264	4.4
239.06949	5.9
240.07639	4.3
241.08557	40.6
242.09128	2.8
243.06500	3.5
243.10118	2.5
251.06926	3.5
251.10750	4.6
253.08531	14.3
254.05745	5.1
255.06450	4.8
255.10020	6.0
257.08008	2.9
265.08530	5.6
267.09995	4.2
268.07275	2.8
269.08026	61.6
270.08466	4.8
277.90521	2.0
279.10104	3.2
281.11603	3.7
283.09552	6.2
293.11624	2.4
349.21674	2.3
351.19540	7.6
351.23318	2.4
352.20215	4.7
353.21024	39.8
354.21475	3.6
367.22574	58.9
368.22946	6.1
369.24060	4.0
371.21970	5.8
377.20950	16.1
378.21402	2.1
395.22092	100.0
396.22412	10.2
413.32266	4.7
414.40903	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	413.2315
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	6.0
57.07067	5.3
67.05486	6.4
69.07069	5.6
70.14970	1.1
70.64095	2.3
71.08617	2.1
72.25809	1.1
75.89053	1.0
79.05456	3.7
81.07040	11.4
83.08601	3.3
91.05431	2.3
93.07048	2.0
95.08585	6.3
97.10120	1.5
105.07012	5.1
109.10162	3.0
115.08688	1.2
128.06209	2.1
129.06961	1.2
131.04837	1.5
136.04077	1.2
143.08522	1.9
145.02850	2.2
147.04311	1.3
155.08516	1.9
159.04376	1.9
161.02324	2.7
161.05934	6.0
165.06900	1.1
171.04515	1.6
171.08003	1.6
172.05132	2.0
173.02338	2.8
173.05885	1.7
175.03903	5.5
179.08615	1.3
182.07288	1.2
184.05206	2.5
185.06000	3.7
185.09560	1.3
186.03146	1.2
187.03865	1.7
187.07510	3.4
190.02586	5.1
195.08073	2.0
197.06007	2.7
198.03075	1.6
198.06757	5.9
199.07520	9.4
200.04672	3.6
200.08176	1.7
201.05444	7.2
201.09087	2.1
203.01440	2.6
203.03358	52.0
205.04907	22.6
205.06656	1.9
205.08205	1.3
207.08107	2.3
209.05983	1.9
210.06668	1.9
211.07547	4.8
212.08249	3.1
213.05440	13.5
213.09007	10.1
214.06212	2.1
215.07034	7.7
216.04141	46.9
217.04742	5.2
221.05934	2.1
222.06746	2.2
223.07495	4.6
223.09390	1.3
224.08185	2.2
225.05411	1.6
225.09090	4.7
226.06187	3.9
227.06978	7.8
227.10649	2.1
228.07748	3.2
229.04892	4.6
229.08502	3.1
231.06480	100.0
232.06749	2.8
235.07468	1.9
236.04730	1.4
236.08150	1.8
237.09109	3.1
237.74281	1.2
239.06998	2.7
240.07716	2.0
241.04781	1.2
241.08563	12.7
243.06500	2.5
250.06180	4.1
251.07112	1.6
251.10617	1.7
253.08551	2.2
255.10095	2.0
264.07669	1.5
265.08521	6.4
266.09073	1.6
267.06464	7.3
267.81329	1.2
268.07425	1.7
269.08011	5.0
279.10187	2.0
325.21707	1.6
339.23254	1.6
349.21487	2.6
351.23105	2.7
367.22656	14.2
377.21036	4.2
380.19528	2.0
395.22113	53.1
396.22583	2.2
413.23108	24.4
414.23257	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	413.2316
Annotation	andilesin C
Peak:m/z	Relative Intensity
55.01881	2.1
55.05499	13.3
57.07061	8.0
61.08908	1.9
67.05498	12.4
69.07053	9.8
69.92183	11.8
71.08627	7.7
79.05463	2.5
81.07049	14.9
83.01347	2.4
83.08604	5.7
91.05453	3.4
93.07031	3.0
95.08590	12.5
97.10182	2.4
105.07005	4.4
109.06482	2.9
109.10155	3.9
113.49641	2.2
128.06161	1.9
129.06990	5.6
136.45316	2.4
141.06958	4.4
143.08563	3.7
147.04370	2.0
153.07016	2.6
157.06386	3.9
159.08051	2.5
161.05956	15.1
165.06934	2.3
169.06483	5.7
171.04422	4.0
171.08049	15.9
172.05170	2.6
175.07579	3.1
181.06493	11.3
182.07098	2.5
184.05154	13.1
185.05971	7.8
186.03078	5.0
186.06790	3.5
187.07533	6.6
189.05424	9.0
195.08040	8.3
196.05194	2.5
197.05940	7.1
198.06699	11.6
199.03842	15.4
199.07481	18.3
200.04659	9.3
201.05438	23.1
203.03383	20.6
205.04903	17.1
205.06415	2.3
207.06543	5.6
209.05951	11.7
210.06812	3.6
211.07556	7.5
212.04660	36.2
212.08015	3.0
213.05423	28.1
213.09006	16.1
214.06187	14.0
215.06987	24.5
216.04150	17.5
217.04926	13.6
219.06491	25.8
221.05898	4.9
223.07472	6.1
225.05496	9.0
225.09097	8.7
226.06151	14.8
227.06996	76.7
227.10651	4.9
228.07626	10.8
229.05022	12.3
229.08595	8.7
231.06528	20.1
236.08255	2.4
237.05415	4.7
237.08994	3.6
238.06244	3.6
239.07034	8.7
240.07759	3.7
241.08557	37.4
242.05688	5.1
243.06459	4.2
247.05954	5.8
253.04703	2.4
253.08701	10.5
254.05867	3.8
255.06436	12.1
255.10193	8.0
257.08090	5.6
265.08600	6.7
267.06500	3.7
269.08041	51.1
270.08521	2.5
271.09607	3.8
279.10065	2.3
281.11673	5.4
283.09659	5.6
293.11731	2.8
335.19989	3.4
337.17657	2.2
339.23373	2.4
349.21698	3.3
351.19464	5.9
351.23355	2.7
352.20166	4.4
353.21048	36.8
357.55447	2.1
367.22623	60.5
368.22989	7.0
369.24237	5.2
371.22324	4.1
377.21069	19.1
378.21222	2.4
381.20508	2.8
383.22205	7.1
385.23621	3.9
385.33545	2.3
395.22122	100.0
396.22406	8.6
413.23212	34.1
414.23419	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	413.2317
Annotation	Unknow
Peak:m/z	Relative Intensity
53.98634	1.6
54.35456	1.7
55.05505	13.7
57.07059	5.4
58.51581	1.8
67.05486	12.0
69.06724	2.0
69.07048	11.8
69.31425	4.9
69.31830	16.0
71.08600	4.6
79.05486	3.3
81.07040	19.4
83.08607	8.5
93.07044	3.4
95.08595	15.8
97.06551	2.2
97.10172	2.6
105.07027	4.4
107.08571	4.0
109.06496	1.9
109.10143	8.1
112.61085	1.8
119.08589	2.7
123.11687	2.6
124.88303	2.0
128.06198	4.5
129.06985	3.3
132.21263	1.7
135.11697	2.1
141.06992	4.1
143.08519	4.7
155.04810	2.3
155.08574	2.2
157.06491	5.6
161.05983	7.7
165.06973	3.1
168.05661	2.3
169.06491	4.3
171.04352	3.7
171.08005	17.1
172.05202	2.8
175.03894	4.3
175.07549	5.6
179.17981	2.1
181.06470	11.5
182.07166	3.7
184.05200	12.2
185.05908	11.4
185.09563	4.7
186.03094	3.4
186.06665	4.0
187.07587	6.3
195.08017	5.7
197.05966	7.2
198.06752	18.7
199.03876	11.3
199.07501	18.4
200.04663	7.3
201.05428	24.2
201.09167	3.5
203.03362	10.8
203.07016	2.3
205.04930	5.6
208.05196	2.3
209.05959	15.6
210.06778	5.4
211.07520	5.4
212.04672	39.3
212.08192	3.3
213.05446	22.3
213.09018	13.4
214.06204	16.3
215.06992	25.8
216.04143	44.5
217.04898	10.1
221.05952	3.2
222.06824	2.0
223.07553	6.9
225.05418	8.7
225.09122	7.6
226.06108	16.0
227.06987	80.1
227.10638	5.3
228.07727	8.3
229.04944	11.0
229.08528	7.2
231.06483	67.3
231.08807	2.5
235.07362	2.2
237.05470	2.2
237.09076	5.3
238.06169	3.5
239.03412	1.8
239.06938	3.5
239.10590	2.6
240.07698	3.3
241.08572	37.9
242.09065	3.5
243.06465	3.4
250.06126	2.8
251.07002	6.2
251.10709	2.6
253.05099	2.4
253.08600	13.2
253.12190	2.6
254.05699	8.0
255.06586	4.8
255.10034	10.3
265.08673	11.0
265.11334	2.1
267.06375	3.0
267.10107	4.3
269.08060	59.8
270.08344	2.4
271.09625	4.3
279.10086	4.4
281.11664	4.6
283.09668	4.4
338.30704	1.8
349.21658	4.7
351.23203	2.7
353.21060	31.5
354.21100	3.8
367.22632	52.0
368.22885	2.9
369.24286	3.9
371.21970	5.2
377.20999	25.1
378.21167	2.8
395.22122	100.0
396.22513	5.6
413.23090	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	413.2315
Annotation	andilesin C
Peak:m/z	Relative Intensity
53.62164	1.3
55.01851	1.7
55.05491	8.0
56.12973	1.1
57.07060	4.8
67.05495	6.9
69.07050	7.1
70.14791	6.0
71.08616	3.5
79.05445	3.2
81.07039	11.6
83.08607	4.6
91.05457	3.7
93.07019	2.3
95.08572	9.7
97.10148	3.9
105.07022	3.2
109.10130	4.4
119.17644	1.3
120.02059	1.7
121.06496	1.3
128.06195	1.7
131.04939	1.5
141.06978	3.1
143.08513	2.0
149.05884	1.6
152.06213	1.7
155.08559	2.5
157.10176	1.8
161.02310	1.9
161.05949	12.1
165.16432	1.8
169.06438	1.9
171.08008	2.4
172.05167	3.9
173.02322	4.5
173.09755	1.9
175.03938	4.8
175.07492	1.4
181.15805	1.8
184.05186	2.4
185.05972	5.4
185.09584	2.0
186.03090	2.2
186.06694	1.8
187.03818	1.8
187.07545	6.4
190.02609	4.2
195.07938	2.1
197.05956	5.3
198.03131	1.9
198.06668	7.6
199.03877	3.0
199.07510	12.5
200.04688	3.8
200.08249	2.1
201.05429	7.8
201.09105	3.5
202.02487	1.7
203.03348	100.0
204.03726	3.2
205.04909	17.6
207.08043	1.9
209.05919	3.1
210.06738	4.8
211.07518	7.0
212.08292	3.2
213.05443	19.2
213.08989	11.3
214.06082	4.5
215.06975	11.9
215.10603	2.9
216.04140	24.3
217.04874	5.6
221.06007	2.6
222.06551	1.9
223.07423	2.5
224.08243	2.5
225.05576	2.4
225.09157	6.7
226.06189	8.0
227.06999	16.5
227.10669	3.5
228.07802	6.0
229.04964	6.0
229.08508	5.4
231.06474	61.3
235.07590	2.4
236.04683	2.1
236.08170	1.6
237.09059	4.2
238.06268	2.0
239.07024	4.9
239.10626	1.9
240.07799	3.4
241.08566	22.7
243.06526	7.3
243.10165	1.6
250.06267	2.3
251.07011	1.9
251.10620	3.0
253.08549	6.1
255.10036	2.6
265.08487	5.3
265.12146	1.4
267.06418	2.0
268.07224	2.2
269.07898	6.9
271.09711	1.6
325.21844	1.7
326.22577	2.1
336.20801	2.5
339.23087	1.7
349.21509	3.7
351.19321	1.9
351.23160	4.2
352.32455	1.5
353.20825	1.5
354.21890	3.3
367.22626	21.4
369.20395	4.9
377.20905	7.8
385.23624	4.4
395.22086	50.0
396.22366	5.6
413.23218	36.6
414.23578	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	413.1412
Annotation	t(6)a
Peak:m/z	Relative Intensity
53.54374	0.5
55.05478	0.6
58.53259	0.5
69.03437	0.6
69.90462	1.1
69.90869	1.8
70.06573	2.3
72.08133	0.7
74.06083	2.7
75.26067	0.5
84.08136	1.5
85.02885	1.5
91.05462	0.7
93.07019	0.6
95.04930	0.6
102.05570	1.3
117.06998	1.1
119.03506	1.8
120.06564	9.5
127.03883	0.7
129.06949	1.4
129.10217	1.2
131.08556	0.9
136.06166	100.0
137.04550	1.7
137.06581	1.0
145.06453	1.1
147.04404	1.6
147.08047	1.1
157.06485	0.7
159.08003	2.3
161.05980	0.7
162.04095	63.2
163.04254	0.7
163.07463	0.6
173.05968	1.3
175.07463	1.1
177.09077	1.1
187.07555	1.4
187.11111	0.7
190.06271	2.0
191.06923	0.6
205.08556	11.8
215.06998	0.7
219.06459	1.6
233.08058	27.2
234.08408	1.1
251.09108	36.5
252.09483	1.1
268.10471	0.8
281.09891	65.8
282.10159	1.3
321.58292	0.6
413.13855	0.7
413.24707	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.2172
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	3.5
55.01870	2.0
55.05508	2.6
57.03431	2.3
57.07067	1.5
61.02911	3.2
67.05488	2.2
69.03419	17.8
69.07057	11.9
70.06583	11.5
70.34950	2.5
70.35351	2.2
71.04990	5.8
71.08618	2.7
72.08144	1.9
73.02898	3.4
73.06537	2.3
79.05480	1.6
81.03405	13.5
81.07034	3.1
83.04946	2.4
84.08118	5.1
85.02894	72.4
86.09679	2.8
87.00820	7.6
91.05449	1.8
93.07018	3.4
95.08642	1.6
97.02879	25.2
99.04444	33.8
103.03931	79.7
105.01839	11.5
105.07021	2.2
107.08650	1.1
109.02869	16.0
110.07158	1.4
111.11707	10.2
115.03882	1.5
120.08086	1.8
123.08008	1.4
127.03900	100.0
129.10211	2.6
129.12737	18.7
131.04893	1.3
145.04938	53.3
147.13785	2.1
159.02892	2.5
163.06007	46.8
163.11101	1.8
184.57635	1.2
187.06007	5.1
187.07466	1.2
205.07095	2.7
212.16347	1.5
231.04935	10.2
271.08063	5.9
289.09149	4.7
307.10129	12.0
359.16891	5.3
377.17975	3.4
412.16415	22.2
412.26767	1.2
413.17050	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.2112
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.3
55.05484	3.7
57.03423	1.5
57.07061	3.8
67.05489	8.4
69.03409	1.5
69.07054	2.0
69.44574	1.3
69.44881	11.8
70.06589	1.4
71.04979	2.3
79.05464	4.9
80.38272	1.2
81.07034	5.0
83.04950	1.3
83.08586	1.6
85.06509	2.0
91.05470	10.1
93.06994	2.6
95.08582	2.5
103.05454	2.1
103.85458	1.2
105.07010	7.0
107.04902	8.1
107.08552	2.0
110.07124	2.8
117.06988	2.5
119.08546	1.3
121.02892	1.4
121.06441	2.0
124.03149	1.3
129.07016	1.6
131.08574	3.7
133.06458	1.6
133.10127	2.2
135.04379	4.6
141.06975	2.5
143.08612	1.5
144.05595	2.0
145.06459	3.4
145.10110	6.0
149.02303	6.0
149.05956	5.1
155.08533	2.5
157.06529	2.2
159.04347	1.5
159.07959	3.6
161.09581	3.8
163.11145	2.3
167.06943	1.4
169.06471	2.0
173.05917	2.1
173.09599	4.9
181.06477	1.6
184.85397	1.4
185.09627	2.3
187.07500	20.0
189.08963	1.9
191.10635	100.0
192.11002	4.5
194.07082	1.3
195.08008	4.9
197.05948	1.4
205.08572	40.3
209.09300	1.5
213.09038	6.3
223.07613	3.4
225.09218	1.3
231.10080	1.8
235.07549	1.4
237.09061	1.6
241.22958	2.4
244.08932	1.4
245.09482	1.9
247.07413	2.1
249.09056	2.0
251.06982	1.5
253.08566	2.3
259.10977	1.5
265.08554	2.1
279.06549	2.1
279.13605	2.3
293.08038	3.4
293.11374	1.8
294.12518	1.2
307.13171	5.3
313.23990	1.6
314.85956	1.4
321.11215	3.9
322.12134	1.6
322.25180	1.7
323.12646	5.0
335.12549	3.6
340.24673	1.5
348.12802	1.2
349.17975	5.2
351.19406	12.2
352.19925	1.5
359.16458	3.2
377.17386	31.2
378.17749	1.8
395.18451	56.3
396.18948	3.3
397.98511	1.4
412.26746	7.5
412.32315	1.8
412.37524	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.2171
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89737	2.2
53.03933	2.8
55.01853	5.0
55.05498	5.9
57.03428	19.2
59.04990	3.7
60.04505	2.2
60.99759	2.5
61.02908	5.9
67.05475	1.8
69.03419	60.5
69.07057	28.5
70.06586	14.1
71.04972	7.0
71.05806	3.9
72.08132	3.6
73.02903	13.4
79.05462	3.5
80.05701	2.0
81.03413	18.2
81.07037	2.5
84.08125	4.2
85.02895	100.0
86.09711	10.4
87.00809	20.4
87.04461	31.8
91.03885	2.3
91.05443	2.1
97.02265	4.0
97.02875	52.5
99.04410	11.3
103.03954	2.1
104.10733	11.6
105.01849	21.7
105.06992	2.4
109.02853	18.6
111.08091	3.9
111.11681	15.0
115.03141	4.2
115.03917	57.4
115.05363	1.9
119.08537	3.4
121.12288	2.2
125.97919	2.3
127.03906	50.9
129.10175	2.3
129.12741	30.2
131.08524	2.5
133.03986	3.8
133.04950	57.4
141.09081	2.2
145.04935	36.0
147.13788	4.7
150.07600	5.9
159.02876	5.7
163.05978	11.0
166.49039	2.0
167.10686	3.4
179.10608	2.6
184.07312	7.2
188.04588	3.7
189.05035	4.0
203.07001	10.1
204.07344	14.1
213.03879	4.1
226.25653	2.1
231.04659	12.9
231.06828	4.4
232.06725	12.8
249.07550	6.3
250.07889	11.8
259.08063	4.5
263.14798	3.8
288.54037	2.2
412.19543	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	412.2112
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01847	0.4
55.05501	0.7
57.03411	0.3
67.05488	1.1
69.03416	0.7
69.07056	0.6
69.94084	1.1
69.94476	0.4
70.06567	0.3
71.04974	0.4
72.08084	0.2
79.05495	1.8
81.07034	0.9
87.04439	0.3
91.05467	5.1
93.07027	2.2
95.04945	0.5
95.08603	0.6
103.05450	0.9
104.07066	0.3
105.03355	0.3
105.07011	3.1
107.04949	1.4
107.08569	0.7
109.06507	0.2
110.07124	0.8
114.52267	0.2
115.05429	0.7
116.06238	0.5
116.73296	0.2
117.06998	4.0
119.08560	0.9
121.06489	1.0
121.07938	0.2
123.04417	0.5
128.06230	0.3
129.06952	0.4
130.07756	1.1
131.08542	0.7
135.04379	0.5
135.11662	0.5
143.08514	0.4
144.05693	0.4
145.06509	0.5
145.10097	4.9
149.05972	2.0
155.08528	1.6
156.07619	0.2
159.07976	0.4
162.06766	0.6
163.11153	2.2
169.06454	0.6
173.09593	11.4
174.09920	0.4
187.07512	2.0
191.10640	100.0
192.10992	2.9
205.08571	6.6
232.13306	0.5
233.11897	0.3
241.22972	0.5
339.39130	0.2
345.01154	0.2
353.47943	0.2
412.26715	0.3
412.32016	1.2
412.37424	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.2112
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.3
55.05484	3.7
57.03423	1.5
57.07061	3.8
67.05489	8.4
69.03409	1.5
69.07054	2.0
69.44574	1.3
69.44881	11.8
70.06589	1.4
71.04979	2.3
79.05464	4.9
80.38272	1.2
81.07034	5.0
83.04950	1.3
83.08586	1.6
85.06509	2.0
91.05470	10.1
93.06994	2.6
95.08582	2.5
103.05454	2.1
103.85458	1.2
105.07010	7.0
107.04902	8.1
107.08552	2.0
110.07124	2.8
117.06988	2.5
119.08546	1.3
121.02892	1.4
121.06441	2.0
124.03149	1.3
129.07016	1.6
131.08574	3.7
133.06458	1.6
133.10127	2.2
135.04379	4.6
141.06975	2.5
143.08612	1.5
144.05595	2.0
145.06459	3.4
145.10110	6.0
149.02303	6.0
149.05956	5.1
155.08533	2.5
157.06529	2.2
159.04347	1.5
159.07959	3.6
161.09581	3.8
163.11145	2.3
167.06943	1.4
169.06471	2.0
173.05917	2.1
173.09599	4.9
181.06477	1.6
184.85397	1.4
185.09627	2.3
187.07500	20.0
189.08963	1.9
191.10635	100.0
192.11002	4.5
194.07082	1.3
195.08008	4.9
197.05948	1.4
205.08572	40.3
209.09300	1.5
213.09038	6.3
223.07613	3.4
225.09218	1.3
231.10080	1.8
235.07549	1.4
237.09061	1.6
241.22958	2.4
244.08932	1.4
245.09482	1.9
247.07413	2.1
249.09056	2.0
251.06982	1.5
253.08566	2.3
259.10977	1.5
265.08554	2.1
279.06549	2.1
279.13605	2.3
293.08038	3.4
293.11374	1.8
294.12518	1.2
307.13171	5.3
313.23990	1.6
314.85956	1.4
321.11215	3.9
322.12134	1.6
322.25180	1.7
323.12646	5.0
335.12549	3.6
340.24673	1.5
348.12802	1.2
349.17975	5.2
351.19406	12.2
352.19925	1.5
359.16458	3.2
377.17386	31.2
378.17749	1.8
395.18451	56.3
396.18948	3.3
397.98511	1.4
412.26746	7.5
412.32315	1.8
412.37524	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.25
Annotation	1-Palmitoyl Lysophosphatidic Acid
Peak:m/z	Relative Intensity
54.82380	2.6
55.05487	7.2
57.03416	7.2
57.07067	34.2
67.05495	13.7
69.07055	13.0
69.70843	7.4
69.71268	9.7
71.08620	30.9
75.09669	2.6
79.05441	2.4
81.07050	16.5
83.08607	12.5
85.10144	13.4
91.05463	2.6
93.07011	3.8
93.12922	2.4
95.08587	28.5
97.10161	6.4
98.98450	57.9
107.08533	3.4
107.15260	2.5
109.10153	12.9
120.27693	2.7
123.11668	5.1
124.52499	2.4
155.01013	100.0
173.02209	2.5
239.23676	23.4
243.70255	2.4
313.27313	49.0
393.24207	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	412.1961
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54847	0.2
56.36782	0.2
59.65810	0.2
64.25008	0.2
64.41959	0.2
68.05013	0.5
69.97546	1.1
70.06583	100.0
71.06908	1.1
73.10596	0.2
85.02888	0.4
103.79955	0.2
112.07548	0.3
123.04436	0.4
165.96046	0.2
189.09262	0.2
203.38390	0.2
232.11790	0.2
250.14348	2.4
251.09068	0.3
348.26291	0.2
403.02036	0.2
412.19601	29.9
413.20023	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.2113
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	0.4
57.07069	0.3
62.55004	0.2
67.05487	1.5
69.03422	0.4
69.07053	0.8
70.06582	0.3
70.33608	1.0
71.04980	1.8
79.05481	1.9
81.07037	1.0
83.04974	0.4
91.05471	4.5
91.06047	0.2
92.67393	0.2
93.07046	2.0
95.04945	0.5
95.08566	0.6
98.06053	0.3
103.05453	0.9
105.06380	0.3
105.07026	3.3
107.04922	0.8
107.08568	0.8
110.07171	0.5
115.05453	0.7
116.06216	0.5
117.07005	3.8
117.53742	0.3
119.08540	0.9
121.06493	1.2
121.10176	0.3
123.04384	0.3
128.06195	0.3
129.06976	0.3
130.07806	1.2
131.04912	0.5
131.08545	0.9
135.04388	0.9
135.11667	0.3
139.03854	0.2
141.06955	0.3
143.08514	0.5
144.05727	0.4
145.06435	0.8
145.10104	5.8
149.05984	1.7
153.06993	0.3
155.08530	2.2
158.07233	0.3
162.06732	0.7
163.11180	2.0
169.06476	0.7
169.15858	1.5
170.69463	0.3
173.09610	11.6
187.07529	2.2
191.10649	100.0
192.10995	3.2
205.08586	6.7
226.17982	0.6
232.13264	0.3
242.21092	0.3
256.22656	0.3
318.06818	0.3
372.08820	0.2
394.33154	0.4
412.32227	0.5
412.37753	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	1.3
55.01862	3.0
55.05482	0.4
57.03415	1.9
58.36812	0.4
58.43211	0.4
61.66791	0.4
67.05479	1.7
68.05817	0.6
69.03417	11.8
69.07050	0.4
69.51058	2.5
69.51483	1.1
70.06571	2.7
71.01321	0.5
71.04976	7.2
72.08143	1.1
72.79165	0.4
73.02911	0.5
81.03402	8.4
81.07037	0.6
83.08602	0.8
84.04494	0.7
84.08124	2.1
85.02887	3.8
85.06469	0.7
86.09678	1.8
87.00814	1.5
87.04424	0.6
91.05458	1.7
97.02856	1.0
99.04427	4.1
105.01836	1.7
107.93868	0.3
109.02859	0.8
109.10123	1.0
110.10473	0.6
115.66239	0.5
116.04963	0.7
117.05502	1.9
117.06974	0.8
118.06511	4.0
119.08543	0.8
120.08061	1.8
127.03874	1.4
129.06909	0.6
129.10191	0.9
136.07553	0.6
145.04959	0.6
145.06451	2.7
145.07578	6.4
147.04396	1.1
147.08023	1.1
147.09140	3.2
160.05177	0.4
162.10248	0.7
163.03868	0.6
163.08673	1.0
169.32666	0.4
171.04333	0.4
173.07066	11.5
175.07388	6.6
175.08920	3.0
176.04572	0.4
185.05933	0.8
188.04620	1.3
188.08136	4.3
190.09750	0.7
191.08116	100.0
192.08421	2.5
203.03552	0.8
203.05432	0.6
203.06978	7.4
213.10028	0.4
216.04080	2.0
231.06493	21.1
232.06775	0.6
234.05127	0.5
243.11183	0.6
249.07541	29.9
250.07756	0.7
271.10858	0.5
278.14941	0.7
289.08984	0.5
289.11765	2.9
307.12823	42.1
308.13107	1.5
317.13989	0.5
322.13922	7.7
325.13828	7.5
382.23114	0.5
393.12860	6.2
411.13959	7.7
411.19873	11.0
412.13824	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1278
Annotation	Aloenin
Peak:m/z	Relative Intensity
59.95959	0.8
61.02909	1.1
63.25597	0.8
69.03403	2.9
69.31116	2.3
69.31536	8.8
73.02877	1.1
85.02893	6.6
91.05464	1.8
96.42659	1.0
97.02863	2.5
109.02879	1.2
115.05477	1.0
117.06989	2.4
127.03965	1.4
128.06213	2.1
129.06982	1.9
131.04892	3.3
145.06487	7.8
145.75537	0.9
147.08032	2.2
149.55406	1.1
155.04877	1.8
159.04428	1.8
160.05156	5.6
161.05922	2.6
163.07521	3.0
172.05179	3.4
173.02319	3.2
173.05949	2.1
174.03014	1.3
175.07503	7.0
185.05952	7.1
188.04666	59.5
189.05040	1.8
203.07005	100.0
204.07352	4.0
205.08563	3.8
206.05728	1.0
231.06496	96.8
232.06857	1.9
249.07555	97.7
250.07863	1.7
403.96716	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.128
Annotation	Aloenin
Peak:m/z	Relative Intensity
55.01889	0.5
56.05020	0.6
57.03414	0.7
61.02911	0.6
67.05486	0.6
69.03399	1.7
70.06585	3.3
70.74006	1.0
71.04980	1.1
71.64460	0.4
72.08134	1.7
80.51456	0.4
81.03407	1.0
84.04479	1.0
84.08122	1.8
85.02897	3.7
86.09702	1.8
88.03971	0.6
91.05464	0.9
97.02882	1.9
98.20812	0.4
99.04408	0.5
107.04908	0.4
109.10120	0.7
109.37817	0.4
110.07122	0.7
115.05415	1.1
117.06995	3.0
119.08544	0.5
120.08040	0.6
127.03888	1.7
127.11153	0.8
129.06976	0.6
129.10216	1.1
130.04979	0.5
133.06470	0.4
142.68114	0.4
144.48474	0.4
145.04881	0.8
145.06462	4.9
147.04388	1.5
159.08043	0.7
161.05949	1.7
163.03825	2.0
163.13290	0.6
173.05974	4.3
175.07544	0.7
177.05432	1.1
178.06180	0.6
179.03427	0.7
189.05450	9.1
191.03355	1.3
203.07033	0.9
205.04941	16.1
206.05717	25.7
207.06216	0.7
213.05351	0.8
216.04156	0.9
217.04926	16.2
231.06544	3.0
234.05197	11.8
235.05618	0.8
249.07558	100.0
250.07939	3.6
260.81213	0.5
273.02417	0.4
304.79382	0.4
411.16443	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	411.1395
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	1.7
55.01876	2.2
57.03423	2.2
59.04981	0.9
61.02912	1.0
68.92675	0.4
68.99753	0.5
69.03069	0.6
69.03422	9.7
70.78002	0.5
70.78338	1.1
71.01311	0.5
71.04992	5.1
73.02895	1.0
81.03410	29.1
85.02902	2.9
87.00803	1.7
91.05472	2.2
97.02867	1.1
99.04432	8.1
105.01854	0.7
116.04982	0.4
117.05457	3.1
117.06993	0.9
118.06544	4.5
119.08569	0.6
127.03918	1.1
129.06984	0.8
145.06473	1.6
145.07590	5.6
147.08154	0.4
147.09152	9.6
159.04410	0.7
159.08008	0.6
160.05183	1.9
161.05968	1.0
162.07858	0.8
163.07474	1.2
163.08682	1.3
172.05165	1.7
172.06462	0.6
173.05721	0.9
173.07092	10.5
175.07506	1.4
175.08707	10.7
185.04477	1.0
185.05983	2.3
187.08688	0.7
188.03003	0.9
188.04666	16.0
188.06342	0.9
191.08131	100.0
192.08438	2.5
203.06992	30.3
204.07329	0.9
205.09950	0.7
206.05667	0.6
213.10327	0.8
215.08177	0.7
215.11795	0.6
216.04164	0.7
231.06494	47.3
232.06799	1.6
233.09149	1.4
243.11380	0.6
249.07556	41.7
250.07927	1.2
271.10727	1.9
289.11755	6.4
307.12836	18.3
325.13910	11.5
326.14139	0.6
331.12869	3.0
349.13922	3.1
375.11816	19.1
376.12079	1.2
393.12875	41.7
394.13208	2.5
411.14804	0.9
411.19788	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	411.1277
Annotation	Aloenin
Peak:m/z	Relative Intensity
53.03926	1.0
55.01859	1.9
55.05505	0.6
56.05005	0.4
57.03417	1.5
61.02911	0.8
61.83086	0.4
65.03908	0.7
67.05494	2.0
68.05817	0.6
68.51666	0.4
69.03417	7.6
69.07042	1.0
70.06579	7.2
71.04983	4.5
71.62749	1.0
72.08134	1.9
73.02894	1.0
74.06070	1.0
81.03403	4.5
81.07076	0.9
82.07378	0.5
83.08603	0.7
84.04475	1.5
84.08138	3.6
84.13208	0.4
85.02890	4.2
85.06528	0.7
86.03223	0.4
86.09675	2.5
87.00819	1.3
91.05464	2.4
93.07021	0.6
97.02863	1.4
99.04421	3.3
100.89088	0.4
102.05511	0.7
105.01868	2.1
105.07034	0.9
107.04900	0.6
107.08602	0.5
109.02859	1.2
109.10140	1.3
110.10468	0.8
115.05424	1.3
116.07113	0.5
117.07017	2.5
118.06559	1.4
119.08553	1.5
120.08069	5.0
127.03860	2.6
127.11148	0.5
128.06281	0.5
129.06966	0.5
129.10226	1.9
131.08563	0.7
132.05733	0.6
133.06480	0.5
135.04398	0.5
135.07971	0.4
136.07593	0.9
137.05983	0.8
145.04941	1.2
145.06459	9.3
145.07585	3.0
145.14288	0.4
147.04376	1.9
147.08018	3.2
147.09166	2.0
147.11638	0.4
159.07973	0.8
160.05180	1.8
161.05945	0.4
163.03876	1.4
163.07516	0.7
163.08716	0.7
171.04468	1.2
172.05096	1.2
173.05856	0.5
173.07100	7.4
175.07486	24.8
176.07831	0.5
177.05428	1.0
177.10210	0.6
185.05914	0.6
187.03938	0.7
187.07460	0.6
188.04633	3.4
189.05415	0.7
191.08121	51.8
192.08456	1.8
201.05434	1.4
203.03397	2.9
203.06987	30.4
204.07306	1.1
205.04926	0.9
216.04118	7.9
231.06483	77.7
232.06853	2.8
234.05104	0.9
249.07538	100.0
250.07884	4.0
259.11179	0.4
289.11716	1.5
294.26913	0.4
307.12827	24.3
308.13229	1.0
313.97208	0.4
322.13934	0.6
325.13852	4.1
393.12872	3.2
393.17548	0.6
400.22977	0.4
400.45795	0.4
411.12894	10.5
411.16107	5.0
411.20599	15.7
412.12830	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.2012
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.8
53.68745	0.9
55.01866	1.6
55.05498	2.6
57.03431	4.8
61.01131	1.3
61.02916	2.4
67.05496	2.5
69.03416	13.7
69.07056	11.7
69.33607	1.0
69.63503	3.0
69.63919	4.6
70.06578	10.5
71.04979	4.9
72.08144	2.7
73.02911	2.4
79.05467	2.1
81.03404	12.3
81.07053	3.9
84.04529	1.2
84.08131	7.1
85.02889	78.8
86.09676	7.1
87.00820	2.1
91.05486	2.3
93.07013	2.5
95.04995	1.2
95.08640	2.1
97.02878	23.6
99.04437	35.9
102.09122	1.0
102.80908	1.0
103.03925	97.1
104.04301	1.2
105.01852	1.3
105.07038	2.6
107.08585	2.2
109.02858	17.5
109.06528	1.1
110.07135	1.2
115.04043	1.1
118.06851	1.4
120.08057	2.7
121.10146	1.2
124.92567	1.0
127.03896	100.0
127.11167	8.7
128.04225	1.4
129.10236	3.6
130.06436	1.6
131.08560	1.4
133.10086	1.4
135.08014	1.4
136.85829	0.9
145.04936	62.6
145.12257	6.2
147.04388	1.4
149.13231	2.9
163.05989	82.4
164.06339	1.2
177.09076	1.2
185.27455	1.2
186.07617	1.2
187.06035	5.5
188.04681	3.5
195.10104	1.6
203.06952	7.6
205.07030	3.3
213.14807	4.7
231.06578	7.5
249.07510	7.8
271.08093	10.1
279.50760	1.0
289.09097	12.4
307.10172	31.1
308.10614	1.4
411.19922	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	410.347
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03916	1.0
53.85788	1.0
55.05493	3.7
55.93453	0.9
57.07068	38.1
57.38552	0.9
59.04993	0.9
63.52079	1.1
67.05490	2.7
69.07047	3.2
70.16206	2.6
70.16607	1.9
71.08620	24.4
73.06535	4.8
74.88036	1.0
79.05492	1.9
81.06606	1.0
81.07047	5.0
83.08609	2.7
85.09704	1.6
85.10171	21.8
87.04449	2.8
89.06016	100.0
91.05447	3.7
92.05813	1.1
93.07026	4.2
94.07370	0.9
95.04955	4.2
95.08584	2.8
97.10136	2.9
99.11702	3.4
103.05466	1.1
105.07006	8.9
106.07338	3.0
107.07036	3.4
107.08553	3.2
109.06485	1.3
109.10089	1.1
117.09101	1.3
118.07305	1.4
119.08572	5.5
120.08899	2.8
121.06498	2.2
121.10121	2.3
123.08017	1.2
124.16756	1.0
130.08627	2.3
131.08612	1.3
132.08842	1.0
133.08583	45.9
133.10085	2.0
142.07655	1.3
144.08821	1.2
145.10077	3.2
146.10536	1.3
147.11670	2.7
148.11957	1.9
149.09558	1.1
151.07545	1.9
151.09630	4.4
152.07951	0.9
155.17905	3.2
157.10062	1.5
158.10434	1.5
161.09633	1.0
165.09039	1.8
175.11043	1.9
176.11575	1.6
177.11191	13.9
183.11632	1.4
186.13708	1.2
195.12297	3.0
199.20457	2.7
221.15376	3.0
222.15680	3.7
235.16531	1.3
239.14845	36.8
243.23230	7.2
287.25690	2.5
349.29578	1.6
392.26312	1.0
393.32037	44.7
394.32220	1.9
410.27185	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	409.2732
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02361	2.1
53.03926	3.7
55.01855	2.7
55.05261	1.5
55.05503	19.8
57.03421	1.9
57.07067	7.8
59.04966	1.9
67.05496	18.7
69.03417	7.0
69.07065	10.4
69.48261	2.4
69.48661	9.9
71.05005	1.3
79.05481	19.6
81.03390	2.2
81.06571	2.0
81.07043	31.8
82.06561	2.0
83.04947	5.5
83.08592	3.4
85.06547	2.7
91.05469	35.8
93.06472	2.7
93.07030	44.6
95.04955	54.4
95.08588	25.2
96.08947	1.5
97.06513	7.2
98.21459	2.9
98.98420	2.2
100.07581	4.6
103.05437	5.2
105.07016	100.0
106.07291	2.0
107.04932	2.8
107.08576	22.2
108.08983	1.4
109.06500	12.2
109.10115	7.8
111.08055	3.6
113.05930	1.5
115.05436	1.4
116.06224	1.5
117.07000	9.9
119.04910	3.1
119.08564	64.3
120.08811	1.4
121.06493	19.1
121.10119	16.8
123.08070	14.1
124.07568	2.1
125.07915	1.2
128.06160	4.4
129.07014	8.3
130.07745	5.5
130.21414	1.3
130.82005	1.2
131.08545	18.2
133.06438	5.4
133.10123	19.5
135.08006	12.8
135.11650	6.2
137.09566	7.6
141.06975	3.6
142.07758	12.7
143.08557	13.6
144.09282	2.7
145.06435	2.1
145.10109	34.4
147.08006	17.2
147.11668	42.0
148.12045	1.7
149.05893	1.6
149.09601	11.7
151.07526	16.0
153.07086	1.5
153.09087	1.8
155.08540	8.3
156.09279	6.3
157.10104	21.5
158.10805	2.8
159.08003	5.7
159.11652	12.9
160.08830	1.3
161.09593	8.6
161.13200	5.1
163.11171	6.0
164.27574	1.2
165.06964	1.8
165.09081	27.6
166.07820	2.0
167.08517	3.1
168.09334	2.9
169.10121	8.5
170.10852	1.8
171.11644	8.3
173.09596	5.6
173.13229	7.7
174.10420	1.3
175.11153	34.4
175.14670	2.2
177.09030	3.2
178.09869	2.6
179.08531	2.7
180.09276	2.4
181.10060	4.3
182.10910	1.6
183.11696	10.5
185.09637	1.8
185.13237	5.2
187.11119	3.9
187.14734	2.8
189.12706	4.5
191.14224	2.6
193.09929	1.9
194.10938	1.7
195.11641	4.7
196.12456	2.0
197.13187	3.7
198.18520	2.5
199.11079	2.4
199.14737	2.0
201.12708	8.3
201.16304	2.8
203.14326	11.1
206.11008	1.6
207.11830	2.3
207.13741	7.5
208.12560	1.3
209.13187	3.4
209.15317	4.2
210.14108	1.3
211.11160	1.8
211.14717	6.4
213.12697	3.4
215.14290	2.0
216.14977	2.3
219.13765	4.9
221.13467	3.2
221.15318	71.4
222.15700	2.4
223.14746	2.8
225.12741	1.5
225.16339	2.0
226.21600	3.0
227.14403	2.2
227.21912	3.4
229.15869	6.2
231.13824	3.3
233.13071	1.7
233.15244	3.4
234.16159	17.5
239.14478	1.4
241.15813	1.4
247.14439	1.4
251.05371	1.4
251.21928	1.4
253.15773	3.0
257.04410	4.8
261.23996	1.4
269.18869	1.5
286.19260	2.5
287.20029	6.5
300.20679	6.0
317.20734	1.8
329.21060	6.9
332.74658	1.3
335.19986	1.7
365.36029	17.3
391.26105	5.5
409.09109	3.5
409.27267	53.7
409.38721	37.9
410.27524	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2729
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98408	2.5
53.03921	4.7
55.01871	2.6
55.05503	22.9
57.07065	9.4
59.05016	2.7
67.05493	24.6
69.03420	9.8
69.07057	7.8
70.20335	5.4
70.20741	7.1
70.95855	2.6
71.04977	4.1
79.05480	27.3
81.07047	41.0
83.04962	6.9
83.08632	3.2
85.06527	3.9
91.05459	44.0
93.07025	51.4
93.65290	2.3
94.07387	3.4
95.04952	54.2
95.08588	37.1
97.06508	14.6
105.07011	100.0
106.07373	2.9
107.04945	3.5
107.08582	25.9
109.06525	15.2
109.10129	20.3
117.06994	15.0
119.08560	71.8
121.06500	21.9
121.10137	21.0
123.08044	24.0
128.06213	5.8
129.06972	11.0
130.07787	3.3
131.08539	29.3
133.06468	7.1
133.10120	29.4
135.08038	16.1
137.09595	8.1
139.11163	3.6
139.17216	2.5
141.06993	5.0
142.07748	16.7
143.08521	21.0
144.09286	3.4
145.06491	4.4
145.10100	51.0
146.07224	2.9
147.08020	17.9
147.11653	34.2
149.09619	11.6
151.07526	26.4
155.08521	9.8
156.09261	6.7
157.10120	29.0
158.10722	3.7
159.08060	8.6
159.11670	17.9
160.08836	2.7
161.09595	9.3
161.13264	9.3
163.11147	5.7
165.09071	40.7
165.48569	2.5
167.08534	5.5
168.09296	6.0
169.10098	18.1
170.10806	3.6
171.11664	16.3
173.09621	6.3
173.13255	10.8
175.11148	26.6
179.08577	5.2
181.10110	6.0
181.12137	3.0
182.10786	5.2
183.11667	12.7
185.13214	10.0
187.11192	5.3
187.14801	4.1
189.12738	9.4
195.11591	5.8
197.13268	3.6
199.11230	4.1
199.14755	4.7
201.12724	13.5
201.16298	3.2
203.14265	16.5
207.11966	3.0
207.13786	10.5
209.13283	5.6
209.15379	6.6
211.14734	11.6
213.12740	4.6
215.14293	4.4
221.13324	3.6
221.15315	85.6
222.15694	4.8
223.14812	4.3
229.15871	8.8
233.15364	4.8
234.16171	11.9
249.16425	3.5
253.16022	2.8
286.19260	3.4
287.20099	13.2
291.17664	3.0
300.20813	5.3
317.21362	3.6
329.21051	6.1
335.20020	3.2
365.36212	3.1
373.25320	3.7
391.26147	8.6
409.27310	94.5
409.38629	3.1
410.27686	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2733
Annotation	10'-Apoviolaxanthal
Peak:m/z	Relative Intensity
50.01575	0.8
51.02372	0.8
53.03939	3.0
55.01854	2.1
55.05254	1.3
55.05502	18.0
57.03419	2.1
57.06853	0.8
57.07068	8.1
59.05001	3.9
65.03922	2.4
65.19000	0.9
67.05163	1.3
67.05495	16.5
69.03416	8.1
69.07066	8.2
71.04985	1.2
71.08601	1.5
71.63631	1.5
76.99909	0.8
79.05482	22.0
79.64874	0.7
81.03407	2.1
81.07043	32.4
82.06557	1.3
83.04951	4.3
83.08602	2.4
85.06530	4.2
89.06018	3.0
91.05464	36.2
92.05772	1.1
93.07027	47.2
94.07330	1.8
95.04954	51.2
95.08588	26.5
96.05262	1.4
96.13129	0.8
97.06514	7.7
97.10129	1.0
98.06039	1.4
98.98435	1.0
100.07587	0.8
103.05434	2.9
105.07013	100.0
106.07345	3.2
107.04959	2.4
107.08575	23.3
108.08907	1.0
109.06496	12.4
109.10149	7.7
111.08043	2.7
115.05436	3.5
116.06210	2.2
117.07002	13.4
119.04938	1.7
119.08562	64.8
120.08892	2.5
121.06488	16.9
121.10120	17.2
122.07298	1.0
122.10429	1.0
123.08054	16.3
123.11691	1.1
124.07555	1.4
125.05964	1.4
125.09620	1.0
128.06184	5.1
129.06990	9.1
130.07759	4.6
131.08548	22.9
132.09337	1.8
133.05605	0.9
133.06441	5.2
133.08568	1.2
133.10112	16.9
135.08031	15.7
135.08980	1.3
135.11670	3.9
137.05951	1.5
137.09596	7.6
141.06952	4.8
142.07756	12.1
143.08537	16.5
144.09351	4.0
145.06442	2.7
145.10103	36.0
146.07207	1.0
146.10539	1.0
147.08034	15.6
147.11670	38.1
148.11980	1.1
149.09604	9.9
149.13228	1.2
150.10370	0.9
151.07521	16.5
153.06992	2.2
153.09065	2.3
154.07686	1.2
155.00981	1.2
155.08546	6.8
156.09366	5.2
157.06619	0.8
157.10101	20.4
158.07283	1.3
158.10732	1.3
159.08028	5.3
159.11662	12.7
160.08817	2.3
161.09615	9.2
161.13237	3.5
163.11157	5.1
165.05684	0.8
165.06963	1.7
165.09088	28.1
166.07820	1.3
166.09464	1.9
167.08565	2.3
167.10605	1.0
168.09265	2.5
169.10095	10.5
170.10797	2.4
171.08096	0.9
171.11676	8.8
172.08833	1.3
172.12292	1.0
173.09576	5.9
173.13290	7.0
174.10391	1.9
175.11160	31.7
175.14685	1.5
177.09061	4.3
178.09856	2.7
179.08536	2.5
180.09271	1.1
181.10104	3.8
181.12233	1.8
182.10867	2.4
183.08096	1.2
183.11670	11.4
184.08795	0.9
184.12180	0.9
185.09508	1.5
185.13161	5.1
186.10347	0.9
187.11195	5.0
187.14810	2.6
189.12720	5.9
191.10689	1.9
191.14226	2.1
193.10040	2.8
194.10835	1.3
195.11705	3.8
196.12430	2.8
197.09492	0.9
197.13179	3.8
199.11153	3.1
199.14830	1.1
201.09079	3.2
201.12701	8.0
201.16412	2.4
202.13008	0.8
203.14265	12.6
207.11647	2.5
207.13797	5.8
209.13228	5.1
209.15335	5.3
211.11198	1.5
211.14841	4.2
212.11946	1.1
213.12683	2.9
213.16275	1.1
215.14268	2.3
216.14958	1.9
217.12096	1.4
219.10139	5.9
219.13689	4.6
220.12361	1.0
221.13380	2.9
221.15324	68.2
222.15706	5.3
223.14738	0.9
225.12552	1.4
225.16396	2.2
226.21753	1.0
227.14302	2.5
229.15820	4.7
231.13846	2.9
233.15369	2.1
234.16101	16.2
235.14735	2.1
235.16805	1.4
239.14687	3.1
239.17693	0.8
243.13884	1.1
247.16920	1.8
249.16350	1.1
251.17923	1.3
253.15831	2.2
255.25066	1.1
257.04422	3.6
259.14728	0.8
265.19650	1.0
269.18951	1.9
281.19122	0.9
285.18494	0.8
286.19354	2.2
287.19955	6.3
299.20132	1.4
300.20786	6.2
311.25748	1.1
312.20734	1.5
313.21722	1.0
329.21066	7.4
353.20856	1.4
365.36044	10.7
373.25140	1.8
391.26224	6.5
392.31454	0.9
409.09180	2.2
409.27277	51.2
409.38751	20.6
410.27557	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07051	1.0
70.06580	11.9
71.62356	1.4
72.08145	2.5
84.04483	2.9
84.08121	3.5
85.02913	1.2
86.09714	1.9
91.05479	1.1
102.05523	1.0
105.07051	1.0
105.97810	1.0
112.07619	1.6
114.05521	3.6
117.07037	1.0
118.05704	1.1
118.06519	18.1
120.08054	4.6
129.10205	1.7
130.05003	1.2
130.06511	2.7
132.08064	4.2
136.07532	2.9
139.04959	1.2
140.06981	1.9
142.06488	2.1
143.07271	2.1
144.08069	10.7
146.05981	54.5
147.04375	1.2
147.06308	1.5
149.04576	1.2
159.09163	6.0
166.07211	14.9
166.08521	1.9
169.04935	1.4
170.05940	4.6
188.07030	100.0
189.07445	4.5
205.09686	39.9
213.12404	1.9
234.12428	1.1
235.02118	1.4
244.08035	1.3
265.05353	1.2
344.85464	0.9
347.69186	0.9
362.16263	1.0
365.12076	1.6
367.08929	1.1
367.13953	1.1
409.10333	1.2
424.69562	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2731
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19917	1.2
51.88649	1.3
53.03930	4.7
55.01842	1.3
55.05503	17.6
56.05044	1.4
57.07071	9.5
59.05001	3.0
65.03918	2.6
67.05496	19.6
69.03413	10.2
69.07052	9.7
69.36859	11.4
69.37270	3.2
71.04974	2.4
74.06084	2.7
79.05479	25.1
81.03449	1.9
81.07047	41.8
83.04962	7.3
83.08599	4.7
85.06523	3.0
91.05461	37.6
92.05785	1.4
93.07031	57.4
95.04957	51.8
95.08593	33.5
97.06514	9.3
100.07579	2.1
100.84948	1.4
103.05457	4.9
105.04513	1.6
105.07014	100.0
107.08575	28.4
109.06494	13.9
109.08458	1.5
109.10146	11.0
111.08059	2.1
115.05429	2.9
116.06229	2.0
117.06998	14.9
119.04958	2.3
119.08565	62.4
121.06490	19.5
121.10149	18.9
123.08048	19.5
123.11667	3.1
124.07590	6.1
125.07938	4.8
125.09591	3.7
128.06197	6.9
129.06973	11.3
130.07779	4.6
131.08560	21.8
133.06454	4.6
133.10107	22.7
135.08015	13.8
135.11662	5.2
137.09599	8.5
139.11203	2.1
141.06996	5.2
142.07770	16.1
143.08540	24.3
144.09299	6.2
145.06474	3.0
145.10110	44.4
146.10815	2.8
147.08032	16.1
147.11661	40.6
149.09587	12.6
151.07526	16.9
152.10666	2.0
153.06924	1.7
153.09161	2.8
154.07733	2.5
155.08511	7.9
156.09322	7.2
157.10123	24.9
158.10849	2.7
159.08064	7.0
159.11674	18.0
160.08804	2.5
161.09621	10.4
161.13263	5.3
163.11194	6.3
165.09091	25.4
166.07654	1.7
167.03410	2.1
167.08568	4.4
167.10660	2.5
168.09341	6.2
169.10077	12.8
170.10838	5.2
171.11636	14.8
172.12541	1.5
173.09619	4.8
173.13258	8.3
175.11159	29.2
175.14774	1.9
177.09148	3.2
178.09866	1.8
179.08510	3.7
181.10130	8.2
181.12206	3.7
182.10899	2.9
183.11656	14.6
185.09644	2.5
185.13248	7.2
187.11174	6.8
187.14758	3.6
189.12752	5.9
191.14313	2.4
193.10049	3.8
194.10934	2.5
195.11726	5.5
196.12434	2.8
197.13239	5.8
199.11194	3.5
199.14818	3.0
201.12741	7.9
201.16359	2.4
203.14247	14.1
206.10880	2.2
207.11714	3.3
207.13785	6.9
209.13263	6.0
209.15204	2.7
211.14882	7.8
213.12700	3.6
215.14433	2.1
219.11862	1.9
219.13712	3.6
221.13275	3.7
221.15324	70.0
222.15845	2.8
223.14810	4.2
225.12589	2.2
225.16406	2.9
229.15903	6.0
231.13748	3.3
233.15434	3.1
234.16104	13.1
235.14735	4.0
237.16380	2.2
241.15619	2.0
247.17188	2.0
249.16705	1.8
251.18004	2.5
253.15923	5.3
257.04614	2.6
267.17377	2.2
271.16821	2.0
286.19299	4.4
287.20041	10.4
300.20853	4.9
311.19925	1.9
319.32031	2.0
324.19598	1.5
329.21191	6.7
330.21875	1.6
363.34314	1.8
364.35635	7.5
365.36017	89.1
373.25351	2.7
391.26248	7.4
408.12003	1.6
409.13165	16.2
409.17896	2.6
409.27344	51.1
409.38702	99.0
410.13434	8.9
410.27466	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	409.0889
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	3.6
56.05020	7.1
60.04517	4.4
69.03418	4.1
70.01212	11.4
70.01620	5.3
70.06587	23.4
72.08153	11.7
74.06090	4.2
84.04510	8.4
84.08128	34.1
85.02897	7.5
85.08450	3.5
86.09708	14.0
91.05489	4.9
97.02855	4.9
103.03937	2.7
107.04930	12.1
108.05279	6.2
110.07156	6.2
116.07133	5.3
120.08070	13.9
127.03864	5.8
129.10237	13.6
136.07579	7.4
145.05016	2.5
147.04387	3.1
155.63719	2.6
165.63629	2.7
176.98456	3.2
183.50169	2.6
189.38940	2.6
213.63095	2.7
234.98993	14.6
247.05748	4.9
247.15518	3.7
303.05176	9.4
336.18512	2.7
349.05917	3.0
365.09744	100.0
366.10141	5.8
379.46500	3.2
409.11182	28.0
409.20224	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	409.1123
Annotation	Fortuneanoside L
Peak:m/z	Relative Intensity
50.33683	0.6
54.23702	0.6
54.45359	0.6
57.01868	0.6
58.99794	0.6
68.72965	0.6
69.03395	0.7
70.06571	4.1
70.49293	2.5
72.08105	1.1
84.08105	1.3
85.02876	3.3
86.09692	0.8
90.05509	0.6
97.02857	0.8
98.21465	0.8
118.06754	0.7
149.09534	0.7
168.34070	0.8
170.03720	0.8
171.04378	1.0
173.05898	3.6
175.03877	1.7
186.03070	17.6
187.03806	1.2
201.05446	19.8
203.03322	8.0
214.02510	1.3
219.61697	0.8
229.04979	2.7
232.03627	32.8
233.03894	0.9
247.05978	100.0
248.06331	2.4
280.22556	0.8
343.80130	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1826
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77974	0.3
55.05502	0.4
56.05027	0.5
60.04501	0.4
65.40902	0.3
67.05487	0.5
69.03411	0.8
69.36510	1.3
69.36942	2.4
70.06574	1.8
71.04958	0.4
72.08144	2.4
74.72996	0.4
79.05483	0.6
81.03419	0.6
81.07028	0.7
84.04497	0.7
84.08128	2.4
86.09733	1.7
86.91335	0.4
91.05417	0.4
91.85190	0.4
95.08575	0.5
97.02885	0.7
97.06499	0.4
105.06993	0.4
107.08557	0.6
109.10152	0.5
112.25838	0.4
119.08581	0.5
120.08073	1.6
120.08804	0.4
120.58653	0.3
121.08437	0.6
129.10217	1.2
133.10094	0.4
136.07558	0.9
147.11635	0.5
161.02975	0.5
161.13087	0.4
171.04387	0.4
175.11143	0.5
201.05441	0.6
203.05208	1.7
212.13666	0.6
229.04993	0.6
229.11993	1.4
236.53786	0.4
247.05927	2.3
264.99930	0.5
266.99527	0.6
283.99921	0.6
285.00479	0.5
295.54608	0.4
307.00931	0.4
307.99442	0.4
374.11517	0.4
409.18253	100.0
410.02866	1.4
410.18555	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	409.0886
Annotation	Unknow
Peak:m/z	Relative Intensity
58.54754	1.7
70.44154	7.0
88.49450	1.9
98.86810	1.8
113.34613	2.2
127.01447	1.9
128.98869	1.7
140.73082	1.8
275.17584	1.8
331.90298	1.9
362.07831	2.2
365.09860	100.0
366.10123	2.8
409.01633	2.6
409.09372	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	408.3827
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05421	2.0
55.05708	0.7
56.04967	0.7
57.06983	1.6
64.49860	0.3
67.05404	2.6
69.03359	0.6
69.06962	2.1
69.07359	0.7
69.58849	2.3
70.06499	0.3
70.12215	0.3
71.08580	0.6
72.04411	1.3
72.08073	0.3
74.05974	1.9
79.05380	2.2
80.04936	0.6
81.03320	0.3
81.06948	3.9
82.06474	1.1
83.04900	0.5
83.08508	1.2
83.08954	0.4
85.10078	0.7
87.04293	0.3
88.07535	1.0
91.05368	1.4
93.07017	3.7
94.06436	1.6
95.04952	1.8
95.07262	0.5
95.08581	3.0
96.08022	1.0
96.35356	0.3
97.06449	0.6
97.10072	0.9
98.20738	0.6
99.86261	0.3
100.07495	1.1
105.07011	3.1
107.08556	1.8
107.94695	0.3
108.07980	1.0
109.06406	0.5
109.10007	1.3
110.83166	0.3
112.07484	1.1
114.44299	0.3
116.06976	0.4
117.06918	0.7
119.08550	3.6
121.06419	0.8
121.10014	1.0
122.09585	0.6
123.07962	1.1
123.11626	0.6
124.07560	11.1
126.09018	0.8
131.08456	0.6
133.09976	0.9
135.07927	0.6
135.11586	0.4
137.09505	0.5
138.09093	2.4
139.09764	1.5
139.10785	0.4
140.10693	1.9
142.07658	0.5
143.08463	0.6
145.09978	1.4
147.07928	0.6
147.11546	1.3
149.09500	0.6
151.07426	0.6
152.06860	0.4
152.10687	3.5
153.11353	0.7
155.08434	0.6
157.10048	0.8
159.11597	0.5
161.09547	0.5
163.11038	0.5
165.08972	1.2
166.12206	0.4
169.10013	0.6
171.11572	0.8
175.11026	0.8
178.15747	0.5
183.11620	0.8
185.13155	0.5
189.12645	0.4
192.17378	1.4
198.18394	0.7
203.14232	0.5
206.18970	1.5
207.13525	0.3
208.16824	1.2
210.18437	1.1
220.20450	1.5
221.15286	2.8
222.18384	1.5
224.19960	1.4
226.21469	1.0
234.22032	0.7
236.20018	2.4
238.21539	1.1
250.21622	4.5
252.23163	1.8
254.24678	0.6
264.23047	0.7
266.24561	0.7
278.24762	2.0
280.26343	0.5
318.31491	2.4
332.33157	0.5
346.34769	0.4
362.34064	2.5
364.35660	100.0
365.35934	5.2
366.37424	1.1
390.26517	0.4
408.38303	94.4
409.27124	2.8
409.38687	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	408.2225
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38630	0.8
52.96236	0.9
55.01869	1.2
55.05504	3.5
55.45091	0.8
56.05038	4.3
57.03425	1.6
60.99156	1.4
67.05495	8.4
69.03420	4.2
69.07051	3.0
69.34366	0.9
70.06583	11.1
71.04979	7.9
71.61520	1.6
72.08153	5.0
73.02896	0.9
74.06051	1.6
76.02214	1.6
78.01794	2.5
79.05486	10.1
81.03396	2.0
81.07053	13.9
83.04971	1.6
83.06087	1.8
83.08604	1.4
83.91851	1.0
84.04494	8.3
84.08134	11.0
84.72063	0.8
85.02896	8.4
85.04810	1.1
85.06525	10.6
86.09695	8.8
87.04417	1.2
89.03895	1.1
91.05468	12.6
93.07056	9.4
95.04930	1.3
95.08582	2.7
97.02877	3.4
97.06507	2.0
98.09676	2.6
99.04415	1.1
99.08078	1.4
99.47744	1.0
102.05487	1.4
105.07013	11.6
107.04944	43.2
107.08592	8.6
108.05248	1.6
109.06517	2.1
110.07184	2.2
111.04432	0.9
118.01250	1.5
119.04887	1.5
119.08585	7.9
120.08106	3.7
121.06503	1.1
121.10112	3.5
123.04410	1.9
123.08030	1.2
125.05981	1.6
127.03909	3.6
129.07010	1.4
129.10208	4.7
130.04994	1.9
131.08543	2.9
133.06464	1.2
136.07555	1.3
137.05975	3.3
138.06322	1.4
147.04414	1.7
147.07841	1.1
147.11670	47.3
148.12033	1.2
149.13239	4.5
151.07448	0.9
156.10188	2.5
157.10077	1.7
158.07988	2.1
161.06062	1.2
162.02132	1.6
164.01773	2.1
165.12727	6.8
175.11160	12.8
179.03456	1.0
186.82054	1.0
193.12216	37.4
194.12625	1.4
203.05261	1.1
211.13268	100.0
212.13617	2.5
229.14334	44.7
230.14688	1.3
259.11093	2.7
260.11386	2.2
261.10632	14.5
333.12808	1.1
408.20172	3.3
409.10815	4.5
409.18433	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.2893
Annotation	CHEBI:69654
Peak:m/z	Relative Intensity
53.03931	0.6
55.01871	0.2
55.05509	0.3
57.07056	0.4
67.05487	0.6
69.07036	0.5
70.05353	0.8
70.06583	0.2
71.08605	0.2
77.03912	0.3
79.05482	11.4
81.07035	0.7
83.08602	0.2
88.07624	0.5
91.05479	0.6
93.07023	1.5
94.06545	0.3
95.04964	0.9
95.08582	0.6
97.10155	0.2
103.05451	24.6
104.05788	0.5
105.04490	0.2
105.07011	1.8
107.04938	13.4
107.08560	0.3
108.08118	0.2
109.10142	0.3
118.06523	3.6
119.08566	0.2
121.06467	1.4
126.25076	0.2
131.04904	7.2
132.08057	2.3
133.08887	0.9
134.09671	0.5
144.08041	0.3
145.10075	0.2
146.09584	1.8
147.10396	0.2
148.11198	0.4
149.05977	0.6
158.09827	0.2
160.11198	0.8
162.12767	0.3
164.14380	0.4
167.03386	0.2
174.12714	0.4
175.04504	0.4
176.04759	0.2
176.07076	0.3
176.14417	0.2
176.46480	0.2
177.16350	0.2
178.15862	0.4
190.08600	0.4
192.17444	0.6
202.15837	0.2
206.19003	0.3
218.11720	0.6
220.20593	0.2
257.04272	0.3
260.23694	32.7
261.24011	1.6
266.11621	0.2
280.13290	0.4
288.26901	0.4
290.28415	1.1
295.15707	0.2
310.35178	0.2
327.56091	0.2
362.30508	0.3
364.32025	6.6
365.32230	0.2
408.28928	100.0
408.34238	6.1
409.29257	7.3
409.34509	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.2218
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	5.3
58.81012	0.6
62.06057	1.3
65.03928	1.3
67.05491	23.0
69.03419	0.9
69.07048	2.1
70.06570	1.4
70.08333	3.0
71.08617	38.8
79.05474	3.6
81.07036	13.2
83.04966	4.6
83.08602	5.3
84.08124	0.8
85.02895	3.6
86.09708	1.2
91.05479	4.1
93.03391	2.9
93.07034	2.2
95.01311	1.6
95.04974	2.1
95.08589	6.7
99.08073	100.0
105.07009	5.8
107.08537	1.1
109.06512	1.1
111.04424	15.7
119.08559	2.3
123.04399	1.2
133.10159	0.9
137.13235	30.1
145.04953	0.8
147.11664	22.5
148.12057	0.9
165.12726	23.8
175.11140	4.9
180.08713	2.2
182.15349	0.8
193.12207	34.5
194.12570	0.9
211.13257	44.9
212.13734	1.4
229.14346	8.2
251.24268	0.7
268.37091	0.7
272.66656	0.8
361.19699	0.8
371.02069	0.7
408.23483	1.0
408.32239	1.3
409.16046	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.2225
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38630	0.8
52.96236	0.9
55.01869	1.2
55.05504	3.5
55.45091	0.8
56.05038	4.3
57.03425	1.6
60.99156	1.4
67.05495	8.4
69.03420	4.2
69.07051	3.0
69.34366	0.9
70.06583	11.1
71.04979	7.9
71.61520	1.6
72.08153	5.0
73.02896	0.9
74.06051	1.6
76.02214	1.6
78.01794	2.5
79.05486	10.1
81.03396	2.0
81.07053	13.9
83.04971	1.6
83.06087	1.8
83.08604	1.4
83.91851	1.0
84.04494	8.3
84.08134	11.0
84.72063	0.8
85.02896	8.4
85.04810	1.1
85.06525	10.6
86.09695	8.8
87.04417	1.2
89.03895	1.1
91.05468	12.6
93.07056	9.4
95.04930	1.3
95.08582	2.7
97.02877	3.4
97.06507	2.0
98.09676	2.6
99.04415	1.1
99.08078	1.4
99.47744	1.0
102.05487	1.4
105.07013	11.6
107.04944	43.2
107.08592	8.6
108.05248	1.6
109.06517	2.1
110.07184	2.2
111.04432	0.9
118.01250	1.5
119.04887	1.5
119.08585	7.9
120.08106	3.7
121.06503	1.1
121.10112	3.5
123.04410	1.9
123.08030	1.2
125.05981	1.6
127.03909	3.6
129.07010	1.4
129.10208	4.7
130.04994	1.9
131.08543	2.9
133.06464	1.2
136.07555	1.3
137.05975	3.3
138.06322	1.4
147.04414	1.7
147.07841	1.1
147.11670	47.3
148.12033	1.2
149.13239	4.5
151.07448	0.9
156.10188	2.5
157.10077	1.7
158.07988	2.1
161.06062	1.2
162.02132	1.6
164.01773	2.1
165.12727	6.8
175.11160	12.8
179.03456	1.0
186.82054	1.0
193.12216	37.4
194.12625	1.4
203.05261	1.1
211.13268	100.0
212.13617	2.5
229.14334	44.7
230.14688	1.3
259.11093	2.7
260.11386	2.2
261.10632	14.5
333.12808	1.1
408.20172	3.3
409.10815	4.5
409.18433	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.0468
Annotation	Unknow
Peak:m/z	Relative Intensity
54.62083	0.3
65.66510	0.3
71.61395	0.3
80.98540	0.2
91.89307	0.2
98.97579	0.3
101.00848	0.7
108.90413	0.3
116.98579	0.4
119.01900	5.4
119.27919	0.3
127.96137	0.3
137.02942	2.0
146.82567	0.3
158.99873	0.5
165.99564	0.4
177.00926	12.8
178.01042	0.7
182.99860	0.4
195.01979	0.5
199.02974	0.4
201.00879	0.8
217.04016	2.5
219.01971	21.1
220.02176	1.7
225.00772	2.8
242.03499	0.7
243.01939	6.9
243.04250	0.5
244.02170	0.5
258.99786	0.6
260.00092	0.4
261.03021	100.0
262.03180	6.7
263.03162	0.6
264.98834	0.3
274.97354	0.3
277.01022	0.8
278.01010	0.7
279.00864	0.5
282.96802	0.3
283.00009	0.8
284.00046	0.5
284.04578	3.9
285.00070	0.7
285.04672	0.4
301.00977	2.3
302.01242	0.9
303.00778	0.5
342.95105	0.6
346.10956	0.3
361.27963	0.5
367.01984	2.5
385.03128	17.4
386.03555	1.7
403.04208	22.5
404.04346	2.4
408.04761	1.1
426.05801	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1906
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	13.1
55.05498	2.4
57.03421	1.9
57.07063	1.6
65.62430	0.9
67.05489	4.9
69.03414	3.0
69.07059	10.5
70.58601	3.5
71.04981	3.5
79.05470	6.7
81.03390	3.2
81.07040	8.4
81.84335	1.1
83.04977	1.9
85.02882	1.1
85.06531	6.6
91.05469	3.0
93.07037	17.7
95.04942	1.9
95.08592	13.9
97.06515	15.3
98.06864	3.4
99.04436	7.2
101.24517	0.9
101.90543	0.9
105.07018	11.6
107.04944	1.4
107.08573	32.8
109.02863	2.7
109.06511	7.3
109.10165	1.4
111.08073	3.8
113.06011	4.9
117.07021	1.1
119.08566	2.1
121.06483	7.2
121.10126	11.7
123.08075	8.0
124.95474	0.9
127.07539	1.2
133.06448	1.4
135.08083	1.9
135.11682	5.8
139.11171	1.4
145.10104	9.4
147.11665	1.6
149.09578	6.3
151.07510	8.1
153.12675	1.7
157.08562	1.2
163.11151	29.6
167.10638	11.5
169.08582	100.0
170.08878	1.2
173.09573	1.9
181.12212	19.2
181.13622	0.9
185.11728	7.0
191.10628	16.9
209.11708	11.6
227.12759	72.0
227.16336	1.8
228.13089	1.7
228.16716	4.1
287.12683	1.0
335.80942	1.1
353.15680	2.1
371.16989	3.6
389.17957	3.2
425.32690	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2428
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04343	0.8
52.02866	0.9
55.01853	1.9
55.05499	15.7
57.03415	1.4
65.73473	1.0
67.05470	2.0
69.03394	3.5
69.07056	2.1
69.42206	2.9
69.42634	5.9
70.06586	5.4
71.04961	1.8
75.57801	0.9
76.02196	1.9
79.05489	1.1
81.03379	1.6
81.07046	4.7
83.04966	18.8
83.08601	12.1
84.04462	1.6
84.08147	6.1
85.02885	7.0
85.06526	3.2
86.09700	5.9
89.54607	1.0
91.05461	2.5
93.07021	3.6
95.04951	10.9
95.08572	2.8
96.08110	1.5
97.02873	1.9
97.06491	2.9
97.10146	2.1
98.09675	1.3
99.04418	3.1
105.06979	1.6
107.04951	1.2
107.08586	8.9
109.02876	1.1
109.06473	2.5
109.10153	7.6
110.07114	1.1
111.04417	1.9
111.08061	2.9
113.09602	1.1
115.07558	0.9
116.10708	2.7
119.08545	3.0
120.08083	1.6
121.10099	4.0
123.08019	2.1
123.11668	4.3
125.09616	3.9
127.03832	1.5
128.10669	4.4
129.10199	2.1
131.08545	2.0
133.10101	3.0
135.08015	2.7
135.11693	1.1
136.62912	0.8
139.07516	0.9
139.11081	1.3
141.10205	0.9
145.04979	1.1
145.10135	1.8
147.11641	1.7
149.09592	1.0
149.13226	2.7
151.11159	22.1
153.05495	1.4
153.09132	4.5
163.11093	3.1
167.12985	1.8
167.14293	23.3
173.13223	2.8
175.14783	1.1
180.08652	1.8
181.12128	1.4
191.10629	2.7
191.14250	3.7
209.11723	5.7
209.15324	100.0
210.15697	3.0
226.14339	1.9
227.12651	5.0
227.16357	2.0
239.25522	1.0
244.15376	10.3
371.20694	2.1
406.20728	1.6
406.25641	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	406.3309
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05482	0.7
57.07050	0.6
67.05473	0.9
69.03407	0.4
69.07039	0.4
71.08601	0.4
71.63326	0.3
79.05466	0.7
81.07049	1.1
83.08573	0.2
83.65457	0.2
84.08118	0.2
87.04414	0.4
89.06022	0.2
89.79800	0.2
91.05471	0.6
93.07014	0.8
95.04932	0.2
95.08576	0.7
105.07003	0.5
106.06537	0.4
107.07314	1.2
107.08569	0.6
109.10126	0.4
111.00668	0.2
115.44865	0.2
119.08596	0.4
120.08086	1.4
121.10117	0.4
125.59310	0.2
133.08853	4.5
134.09624	0.8
143.08449	0.3
145.10136	0.3
146.09610	2.0
147.06784	0.3
147.10434	0.5
147.11443	0.2
160.11195	1.7
162.12741	0.3
165.07866	2.1
172.15903	0.2
174.12839	0.2
175.14774	0.2
177.07802	0.5
178.08627	1.3
179.09332	0.4
188.14317	0.6
190.08528	0.3
192.10146	1.6
195.08850	1.0
202.15863	0.4
208.09592	0.5
216.17427	0.4
218.18970	0.5
220.13239	0.4
220.20354	0.2
222.11212	0.5
232.20534	0.5
244.20566	0.3
248.16461	0.3
250.78212	0.2
258.22299	0.3
276.19540	0.5
318.31470	2.8
319.31735	0.5
320.32132	1.3
330.31537	1.0
344.33075	18.0
345.33405	0.9
358.30988	14.1
359.31226	0.5
362.37540	0.3
376.32062	18.7
377.32278	0.9
388.31967	2.7
402.27206	0.2
406.32986	100.0
407.25668	0.2
407.27792	0.3
407.33362	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	406.2065
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03915	2.0
53.31262	1.0
55.01855	1.4
55.05503	3.4
57.03410	1.8
61.02914	2.8
67.05499	6.6
68.88054	0.9
69.03419	8.7
69.07043	2.0
69.97959	3.8
69.98384	2.6
70.06569	2.1
71.04988	5.4
72.72102	1.1
73.02903	1.2
79.05467	8.5
81.03391	3.4
81.07043	6.2
83.04952	1.8
84.04532	1.0
84.08138	2.4
85.02894	17.8
85.06522	1.4
86.09698	1.8
91.05482	5.4
93.06464	1.4
93.07027	23.0
93.09065	1.1
95.04947	3.0
95.08573	2.9
97.02869	5.3
97.06548	5.2
97.07062	1.2
99.03829	1.6
99.04439	22.7
101.05993	3.2
105.06377	1.7
105.07017	24.8
107.08578	47.4
108.08871	1.4
109.06492	3.6
109.10143	1.4
111.04429	1.2
111.08052	5.3
115.20808	0.9
117.07002	2.2
119.08561	8.4
120.08086	1.2
121.06484	11.4
121.10125	36.0
123.08031	2.3
127.03912	2.7
128.10686	1.8
130.07744	2.4
131.08543	6.1
135.08012	4.0
135.11667	11.1
139.07535	1.6
145.04930	4.0
145.10101	27.4
146.10426	1.2
147.11650	2.8
148.21687	0.9
149.05972	2.7
149.09613	8.4
163.11159	76.2
164.11493	3.0
173.09610	9.7
180.08614	3.5
181.12215	23.5
182.12589	1.6
191.10637	100.0
192.10992	3.0
209.11690	32.8
227.12749	85.5
228.13155	2.4
240.28185	1.1
244.15457	1.2
283.88800	1.0
308.13635	1.1
340.10178	1.0
406.20834	1.2
406.25754	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	406.2431
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.6
55.01863	3.0
55.05507	11.6
56.05038	1.8
57.03410	2.6
57.07053	1.6
61.02917	2.3
65.03930	1.6
67.05502	13.7
69.03419	10.1
69.07058	4.8
70.06585	12.5
71.04984	28.6
71.62356	2.4
72.08152	2.3
74.07020	1.4
76.02220	1.5
79.05481	8.9
81.03404	4.9
81.07047	36.8
83.04961	8.2
83.08595	9.5
83.60954	1.3
84.04503	2.9
84.08123	11.0
85.02902	18.2
85.06526	3.8
86.09695	9.8
87.00827	4.8
91.05465	7.4
93.07021	9.1
95.04957	99.0
95.08590	8.7
96.05286	1.4
97.02882	3.7
97.06516	4.3
97.10203	2.4
99.04445	22.9
99.08077	7.5
103.05438	1.3
105.01842	3.8
105.07019	6.6
107.04939	3.3
107.08585	15.4
109.02866	5.3
109.06543	4.4
109.10130	7.8
110.07156	2.0
111.08083	4.4
113.35678	1.4
117.06940	1.9
118.96667	1.3
119.08583	5.9
120.08099	5.6
121.06490	2.7
121.10110	9.8
122.02758	2.0
123.04506	1.6
123.08031	3.6
123.11711	10.5
125.09622	3.8
127.03928	6.1
127.08693	1.7
128.10692	1.4
129.10231	2.4
131.08543	2.6
133.10110	11.8
135.08028	3.6
135.11705	4.2
136.07587	6.5
137.05945	3.4
137.09631	4.4
141.12712	16.4
145.04955	3.6
145.10110	4.2
147.11728	3.7
149.06023	2.3
149.09586	3.3
149.13263	2.3
151.07616	1.3
151.11162	15.8
153.09088	27.4
159.13785	4.0
161.13283	2.3
163.11145	9.7
165.09099	5.3
165.12759	1.7
167.14302	14.2
173.09648	1.8
173.13235	6.0
179.14294	5.8
181.12245	1.9
191.10660	12.0
191.12500	1.9
191.14252	14.0
209.11806	31.7
209.15332	100.0
210.12192	1.6
210.15672	4.5
225.06537	2.5
226.07022	2.0
227.12823	17.5
227.16370	13.8
240.08475	3.5
246.13126	3.3
249.18585	1.4
254.10059	3.3
255.75774	1.5
258.09308	1.6
268.07977	2.2
272.11127	1.9
282.09476	2.6
285.12259	2.1
299.10565	1.5
300.10452	4.2
310.08972	3.5
318.11444	1.7
327.09579	2.5
328.10043	9.6
330.11478	1.3
335.18823	1.5
346.11032	14.1
347.11337	1.5
353.15817	2.9
374.10587	19.2
375.56918	1.4
381.05182	1.6
388.12540	1.9
406.13062	3.8
406.17914	2.0
406.25681	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.1634
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	2.5
55.05488	2.0
56.05025	6.4
57.03421	5.3
58.99570	7.7
68.05003	1.0
69.07049	1.6
70.06563	1.1
71.01579	0.7
71.01888	1.0
72.08141	0.7
73.01107	1.5
74.00653	0.8
76.02215	18.0
76.03985	2.3
76.09912	0.6
79.05479	3.4
81.07040	15.5
82.06557	0.7
82.43568	0.5
83.06069	1.0
84.04488	23.5
84.08133	1.2
85.01109	2.1
85.06536	1.1
86.00631	3.9
86.09689	2.0
86.99036	5.7
87.02685	4.7
88.02195	1.8
91.05449	0.6
93.07050	0.9
94.06549	0.8
95.04918	0.8
95.08593	3.0
97.01074	0.9
97.06509	1.2
98.09674	10.6
99.05569	0.8
99.08079	4.1
102.05524	4.5
110.07095	1.0
110.09658	1.7
112.03928	3.9
113.04214	5.4
115.05754	1.9
116.01655	20.7
116.02480	1.0
122.09650	1.1
123.08028	1.1
127.05804	1.2
127.85836	0.6
129.06541	2.7
129.07349	1.3
130.04979	5.9
130.06836	4.5
130.08609	1.8
139.05698	1.0
142.03159	1.3
143.02660	0.8
144.01128	8.4
145.05957	0.7
156.08389	19.3
156.10162	10.7
157.06795	7.7
162.02174	21.7
170.02705	1.2
174.09453	11.6
179.03375	1.0
179.04808	8.7
188.03717	0.6
189.03206	2.0
191.10687	0.8
196.35240	0.6
209.11626	1.0
210.11165	3.1
215.04733	0.7
216.06841	6.1
227.12691	1.5
233.05826	0.8
242.08522	0.9
245.06068	0.9
259.11066	100.0
260.09177	1.4
260.11450	2.0
277.12036	0.9
285.12582	2.2
289.12845	0.6
291.06271	1.0
308.08987	1.1
313.11920	3.7
331.13156	6.5
388.15619	3.0
406.16425	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	406.2064
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77003	1.6
55.05496	4.5
56.05013	3.5
57.03424	2.3
58.99561	2.8
63.75402	1.6
67.05474	7.4
69.03413	5.3
69.07050	15.9
69.92548	8.8
70.06238	2.2
70.06583	20.2
71.04974	4.5
71.08596	2.0
72.08126	7.5
74.06066	2.5
76.02203	6.1
79.05125	1.8
79.05486	21.3
81.03390	5.8
81.07040	14.7
83.04962	4.4
83.08610	2.7
84.04492	8.3
84.08134	12.5
85.02892	10.9
85.06524	5.9
86.06036	3.0
86.09682	13.4
91.05469	21.9
93.07026	13.6
95.04932	12.5
95.08594	10.1
97.02875	6.4
97.06507	5.4
98.06005	2.2
98.09668	2.2
99.04431	2.3
99.08077	3.8
102.05499	2.1
105.07023	23.8
105.45063	1.8
107.04935	19.9
107.08569	14.3
109.06504	25.8
109.10116	5.6
111.04414	2.5
113.09587	3.2
116.01631	3.1
116.10698	2.7
117.06985	5.5
118.06493	6.1
119.08579	8.4
120.08081	4.1
121.02824	2.5
121.06458	3.3
121.10114	8.7
121.94113	1.9
122.02681	2.2
123.04385	1.9
123.08032	4.8
125.05923	4.3
125.09701	2.0
127.03890	5.2
129.10216	6.4
130.04987	1.8
131.08543	5.7
133.06448	8.2
133.10115	6.6
135.04416	3.9
135.11681	8.7
137.05981	1.9
139.03871	8.3
139.11118	2.8
145.04907	2.3
145.09010	3.5
145.10092	35.3
147.11664	7.2
147.60829	1.7
149.09599	4.1
149.13245	6.3
151.07506	35.0
151.11142	5.6
153.05333	2.9
162.02187	2.3
163.11151	35.5
163.14862	2.1
169.08568	24.4
169.12239	12.1
173.09602	5.4
173.13246	3.0
175.14667	2.2
181.12276	2.7
187.42131	1.9
191.10628	11.5
191.14304	9.5
193.12178	5.0
209.11691	100.0
209.15285	8.6
210.12048	2.5
227.12762	35.2
227.16261	16.6
233.00919	1.9
259.11115	6.7
260.11978	1.8
271.10706	3.7
292.12805	2.7
315.09528	2.4
347.12329	3.7
374.84381	2.0
388.23145	7.2
406.16635	3.0
407.13077	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	405.263
Annotation	7alpha,12alpha-Dihydroxy-3-oxochol-4-enoate
Peak:m/z	Relative Intensity
53.03936	7.6
55.01854	15.8
55.05505	32.8
57.03423	6.4
57.07065	7.7
57.32899	2.3
59.05012	4.0
61.74226	2.4
65.03920	3.3
67.05495	70.9
69.03422	35.2
69.07061	25.7
71.01363	3.7
71.04980	6.4
73.02921	3.2
79.05481	58.8
79.33910	2.6
81.03417	27.6
81.07047	71.1
81.07516	4.6
83.04977	16.3
83.08627	15.1
85.02894	11.3
85.06522	2.8
86.85299	2.8
87.04479	7.5
91.05465	64.1
91.17886	2.4
93.07030	73.6
95.04937	17.8
95.08597	48.7
95.09164	4.6
97.02873	12.4
97.06521	7.2
97.10168	7.8
98.20757	5.0
99.04478	5.3
99.08099	3.7
100.99199	2.5
103.03974	3.0
103.05457	3.9
105.07011	60.0
105.07661	4.4
107.04950	12.8
107.08577	41.6
109.02885	7.4
109.06519	11.2
109.10147	23.8
111.04442	15.3
111.08093	6.0
115.05444	8.0
116.95853	2.3
117.07005	37.5
119.08564	47.1
119.09344	4.6
121.06503	10.7
121.10128	35.0
123.04440	4.2
123.08095	6.3
123.11715	10.6
125.09585	4.6
127.03935	5.3
128.06239	6.7
129.05464	8.2
129.06967	25.1
131.04962	3.4
131.08556	45.6
133.06493	11.6
133.10109	41.6
135.08061	6.9
135.11647	20.9
137.06000	2.9
137.09618	5.7
141.06978	6.8
142.07780	6.0
143.08533	23.6
145.06537	8.9
145.10124	37.3
147.08073	7.5
147.11653	29.5
149.05960	3.6
149.09666	7.6
149.13275	9.2
151.07570	3.5
152.06161	3.5
153.07004	3.9
155.08469	12.4
157.06525	6.7
157.10092	21.6
158.10986	2.9
159.08073	9.8
159.11674	29.4
161.09648	7.2
161.13229	14.5
163.07524	4.4
163.11226	6.5
163.14783	5.1
165.09177	2.9
165.12802	3.8
166.07780	3.1
167.07158	3.7
167.08548	6.0
167.28691	2.9
169.10175	10.9
171.08046	4.6
171.11664	17.5
173.09563	5.9
173.13271	19.5
175.07504	3.1
175.11253	7.8
175.14847	7.3
177.12772	4.8
181.10185	8.5
183.08052	3.7
183.11678	7.0
185.09645	6.6
185.13242	10.9
187.11203	5.2
187.14828	7.3
189.12753	6.1
195.11765	4.7
197.09673	6.0
197.13281	6.1
199.11230	4.5
199.14825	5.8
201.09235	4.0
201.12772	8.0
203.10596	2.9
207.11748	5.5
209.13330	3.6
211.14899	5.3
213.12859	5.0
213.16466	4.3
217.12234	2.7
217.15988	3.2
223.14963	3.3
225.12852	3.9
227.14224	3.0
235.87207	2.7
241.15770	2.9
259.20728	7.1
261.22205	5.5
271.20401	5.2
273.22006	13.5
275.20242	4.7
275.23624	2.8
277.21667	7.0
283.26471	5.3
285.22141	2.8
287.23410	3.4
289.21674	9.3
299.23618	4.8
301.21750	11.2
303.23157	7.8
309.22064	2.9
313.21664	6.7
315.23285	15.0
317.30463	3.9
318.30777	5.4
319.22809	11.3
319.31680	20.2
327.23401	7.9
331.22821	3.9
341.21112	5.9
341.24518	16.3
343.22525	3.4
345.24335	6.0
351.23224	19.4
359.25955	3.7
369.20355	4.0
369.24249	58.5
387.21588	6.3
387.25427	69.1
387.29977	5.0
388.25833	3.7
405.26511	100.0
405.34949	48.9
406.26779	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	405.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43513	0.7
55.05501	4.8
56.05030	8.4
57.03428	1.3
58.06589	3.7
58.25002	0.7
60.04517	18.0
66.07822	0.7
67.05496	1.1
69.03410	1.1
69.07074	1.1
69.73093	1.3
69.73486	5.0
70.02934	1.8
70.06593	5.6
72.08145	63.8
74.06070	63.1
74.06436	0.7
74.06516	1.0
75.06393	1.2
79.05492	1.2
81.03381	1.8
81.07023	0.8
84.04491	5.2
84.08120	2.6
85.02872	1.9
85.06532	1.1
86.09698	6.2
87.05579	13.2
91.05481	1.9
93.06999	1.4
94.06544	1.1
95.04961	0.8
96.08108	2.3
97.02876	1.4
98.09690	1.1
101.07128	2.1
105.03416	4.2
105.07007	1.1
107.04984	0.9
109.02876	1.3
109.10131	1.4
111.04414	0.8
114.09152	16.1
118.08642	12.8
119.08591	2.0
120.08049	1.5
127.03916	1.1
128.10695	2.5
129.10233	2.9
133.10089	1.1
137.09564	1.2
138.09111	1.2
142.08621	1.0
147.04428	0.9
155.11766	2.7
159.11269	76.3
160.11568	1.3
161.09554	1.1
162.02229	1.1
163.03896	3.4
165.09172	1.1
166.23347	0.8
173.12843	11.5
175.03912	0.8
176.00526	0.7
176.04230	1.3
179.10678	1.7
183.11282	1.8
187.10760	31.7
189.09142	1.0
201.12320	12.2
207.06505	3.0
207.10065	1.0
208.06841	4.3
209.11682	0.9
219.13371	100.0
220.13705	3.0
223.10611	1.0
225.11150	1.0
226.07924	0.9
229.11784	2.5
243.13324	1.0
250.57219	0.7
259.11090	1.1
260.16196	0.9
270.14429	3.2
288.15524	15.1
289.15915	0.9
300.19006	2.0
304.94919	0.7
316.14859	1.9
341.21732	0.9
369.21359	2.3
374.92899	0.9
387.17258	1.2
387.22339	15.5
405.16809	2.6
405.23361	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.263
Annotation	7alpha,12alpha-Dihydroxy-3-oxochol-4-enoate
Peak:m/z	Relative Intensity
53.03932	6.2
55.01859	12.4
55.05260	2.2
55.05502	28.3
57.03418	7.2
57.07056	3.7
59.91361	2.0
65.03918	3.1
67.05492	62.1
69.03074	2.5
69.03417	32.1
69.06696	2.6
69.07053	23.7
71.04978	9.6
71.60864	2.6
79.05479	50.2
81.03407	24.0
81.07040	66.2
83.04959	14.1
83.08604	14.7
85.02892	12.8
85.06512	4.2
87.04456	3.5
90.63974	1.7
91.05464	52.2
93.07027	62.8
95.04948	12.5
95.08587	47.9
95.09050	1.2
97.02888	11.4
97.06499	8.7
97.10164	9.0
99.04417	4.1
99.08052	2.8
101.06011	2.4
103.03904	2.4
105.07014	63.2
107.04901	8.9
107.08572	37.4
109.02853	6.2
109.06463	10.6
109.10146	24.3
111.04449	13.2
111.08054	3.8
115.05414	3.5
117.06985	28.5
119.08564	49.8
121.06493	8.6
121.10127	27.1
123.04385	5.9
123.08044	8.3
123.11681	6.8
125.05952	2.4
125.09559	3.2
127.03913	4.9
128.06224	5.1
129.05449	5.2
129.06966	17.4
131.04900	2.8
131.08543	43.6
133.06480	9.9
133.10104	40.3
135.08032	8.0
135.11668	19.0
137.05984	3.4
137.09579	6.1
141.06985	5.6
142.07729	3.5
143.08533	23.0
145.06474	9.3
145.10100	35.0
147.08025	9.2
147.11647	25.9
149.09573	9.0
149.13216	9.2
151.07526	6.4
151.11105	3.8
153.06892	2.5
154.07681	2.1
155.08548	9.0
156.09331	1.9
157.06410	4.4
157.10071	17.4
159.08028	9.0
159.11655	24.5
160.12114	1.8
161.09595	7.6
161.13245	13.0
163.11185	5.3
163.14796	2.4
165.09071	2.4
165.12720	2.1
167.08513	4.5
169.08775	2.4
169.10065	11.2
171.08047	4.9
171.11652	19.0
173.09605	6.5
173.13205	22.0
175.07536	2.0
175.11188	7.7
175.14790	2.7
177.09235	2.5
177.12744	4.3
179.08559	3.1
181.10101	7.2
183.08046	2.9
183.11638	7.3
185.09613	7.3
185.13235	11.1
187.11131	6.4
187.14751	8.6
189.12740	6.1
195.11664	6.7
195.13965	1.9
197.13252	7.3
199.11160	4.0
199.14778	9.1
201.12596	2.9
201.16330	2.7
205.12215	3.6
207.11755	2.5
207.13760	2.4
209.13318	4.2
211.11203	4.1
211.14828	4.3
212.40726	2.1
213.12703	4.2
213.16379	4.2
215.14346	4.0
217.12152	3.0
221.13309	1.9
223.14798	3.4
225.12901	3.3
225.16394	3.2
227.14389	2.8
229.15897	1.9
241.19435	2.5
243.13647	2.0
247.16946	2.1
253.19478	2.4
255.21089	4.5
259.20544	6.0
261.22107	2.2
271.20633	5.1
273.18634	2.9
273.22122	13.8
275.20099	2.6
275.23697	1.8
277.21609	4.4
285.22043	3.1
287.20227	3.4
287.23602	2.8
289.21506	6.9
291.23178	5.7
295.20560	2.1
297.21973	4.3
301.21478	11.2
303.19781	3.4
303.23154	9.2
313.21539	5.5
313.67175	1.9
315.23181	15.8
317.24753	2.2
319.22653	5.8
319.31812	6.6
323.23730	4.1
327.23059	10.7
331.22568	3.0
339.23169	2.7
341.24731	14.4
345.24185	11.2
351.23074	14.9
357.24228	2.7
359.25797	5.0
369.24213	61.4
370.24442	4.1
387.25211	67.1
388.25604	4.3
405.26334	100.0
405.34619	12.3
406.26523	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.3882
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07076	0.3
67.05486	0.3
69.07072	0.4
69.76111	0.7
69.76544	0.6
75.81547	0.2
83.00507	0.2
83.08620	0.3
87.04467	1.3
89.69556	0.2
94.06541	0.2
97.10152	0.2
98.20790	0.3
106.06535	0.2
107.07323	4.1
107.08015	0.3
112.99998	2.4
118.06517	0.2
120.08096	3.2
121.08871	0.8
123.25645	0.2
129.01843	0.3
131.64052	0.2
133.08931	0.2
134.09639	1.6
142.00766	0.2
148.11211	0.2
151.09898	4.7
156.84195	0.2
162.12811	0.5
164.10707	2.1
165.11488	0.6
169.02588	2.6
176.14401	0.3
178.12260	2.5
190.15904	0.4
192.13873	0.3
193.11060	0.2
204.17429	0.3
206.15456	0.5
218.19043	0.7
219.17503	0.3
220.17039	0.6
232.20700	0.2
233.29663	0.2
234.18553	0.5
237.22180	0.3
248.20053	0.3
262.21701	0.7
276.23151	0.3
318.28024	0.3
318.31451	5.1
318.35181	0.3
319.31918	0.5
360.36188	14.2
361.36603	0.9
386.37851	0.7
404.38925	100.0
405.39395	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	405.0745
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	1.3
56.05009	0.8
56.96536	0.9
63.16810	0.7
63.55679	0.6
67.05476	1.6
69.03405	1.6
69.07049	1.8
70.06577	7.8
71.04960	1.1
71.62903	0.9
72.08121	1.2
73.38819	0.6
79.05459	1.2
81.03402	1.2
81.07044	3.5
84.08119	3.2
85.02863	2.6
86.00628	2.0
86.09674	2.5
91.05453	2.1
91.94146	0.7
93.07019	2.5
94.07336	0.8
95.04955	0.7
95.08584	1.1
97.02877	1.5
97.06503	2.4
98.97540	0.8
99.04422	2.7
100.02180	1.6
100.04736	0.9
105.07008	2.5
107.04915	1.1
107.08552	2.0
109.02840	1.3
109.10122	1.1
116.01677	1.5
117.07020	0.9
119.08555	2.1
120.08101	1.0
120.08923	0.7
121.06483	1.1
121.10096	1.6
123.04426	0.9
127.03868	0.8
128.10751	0.9
129.06924	0.6
129.10237	0.8
131.08530	1.2
133.10091	2.3
133.93204	0.7
134.10445	2.1
136.20026	0.7
137.05965	1.2
143.02739	0.9
143.08560	1.0
145.02791	1.0
147.04358	0.8
147.07994	1.0
151.07628	0.6
161.09613	2.8
162.09966	3.6
163.03798	0.9
167.07007	0.9
173.05907	1.1
175.03893	1.9
179.06874	0.7
180.10941	1.0
187.03902	3.2
189.09102	1.8
190.09462	1.1
193.12073	0.7
199.06242	3.1
200.07042	3.0
201.05452	3.9
202.02582	9.5
203.03297	2.9
207.10164	1.5
208.10501	2.3
214.08563	4.1
217.04924	99.3
218.05251	2.5
225.11137	2.2
226.04968	0.9
226.11578	3.1
228.06555	6.5
229.05008	5.5
232.04239	0.8
233.02620	2.4
240.06487	2.5
241.01591	0.9
241.03751	4.9
244.00677	3.1
244.06050	0.8
254.04405	1.7
256.06009	93.2
257.06238	2.5
258.02063	1.8
258.05707	1.4
259.02917	2.1
260.03729	1.3
269.01471	3.2
269.06778	3.4
272.00107	2.3
274.05273	4.4
284.03720	11.5
287.02444	2.4
297.08575	1.1
302.04761	100.0
303.05124	2.9
330.04276	31.6
331.04706	1.1
341.07639	1.6
348.05154	0.8
359.07407	2.5
369.22455	1.5
387.06348	1.5
387.23489	1.6
404.24084	1.9
404.62289	1.0
405.07434	8.1
405.16354	0.8
405.24551	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	404.3515
Annotation	Unknow
Peak:m/z	Relative Intensity
69.28884	1.9
87.04452	11.3
93.66704	0.2
94.06518	0.5
98.20775	0.4
106.06535	0.2
107.06607	0.3
107.07314	6.7
109.30602	0.1
114.60455	0.1
120.08085	3.2
121.08896	0.7
134.08635	0.2
134.09619	2.8
148.11191	0.3
162.12723	0.5
176.14314	0.3
179.12869	0.2
190.15836	0.7
193.10869	0.2
204.17426	0.3
206.11562	0.2
206.18979	0.7
218.18974	0.8
232.20424	0.4
233.17500	0.2
316.29828	0.3
317.30411	0.2
318.31482	46.0
319.31763	1.7
325.25055	0.2
404.35141	100.0
405.30414	0.3
405.35522	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	404.3518
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	0.5
67.05460	0.8
69.03371	0.5
69.07042	0.6
69.94004	1.4
79.05433	0.8
81.07017	0.9
83.04944	0.4
85.02861	0.2
87.04456	16.5
91.05418	0.9
93.06993	0.9
95.04951	0.3
95.08587	1.2
98.21374	0.4
104.70279	0.3
105.06987	0.8
106.06538	1.9
107.06711	0.3
107.07333	3.4
107.08544	0.4
108.08130	0.3
109.10126	0.5
117.06992	0.3
119.08566	0.5
120.07361	0.4
120.08096	4.5
121.08813	0.7
121.10082	0.3
122.86586	0.3
123.08002	0.3
131.08525	0.5
134.09596	1.3
144.08115	0.3
145.10138	0.6
147.11691	0.5
151.06699	0.2
156.38214	0.3
162.12723	0.7
169.06288	0.3
171.11670	0.3
176.14311	0.4
185.13208	0.3
190.15799	0.3
204.17441	0.3
205.18288	0.3
206.11810	0.3
206.19127	0.3
206.64969	0.3
218.18968	2.4
220.20447	1.2
232.20506	1.9
241.23009	0.3
246.22202	0.3
260.23840	0.3
318.31512	67.4
319.31796	2.3
369.24149	0.6
387.25449	0.4
404.35190	100.0
405.26938	1.3
405.35495	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	404.2273
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	1.7
55.05497	3.1
56.05033	1.4
57.07057	1.4
59.04980	1.4
60.04506	1.0
61.02922	1.4
62.06088	1.1
62.73641	1.0
67.05487	4.5
69.03410	6.0
69.07053	3.3
70.06586	11.4
71.04974	2.1
71.19384	2.1
71.19709	1.3
72.08144	4.4
74.06068	1.7
79.05471	4.9
81.03404	1.9
81.07050	10.8
82.20071	0.9
83.08600	1.3
84.04488	1.9
84.08134	6.9
85.02892	46.0
86.06019	1.4
86.09683	18.4
87.10020	2.0
91.05477	8.1
93.07053	5.8
95.04961	4.0
95.08576	3.2
97.02873	2.1
97.06499	2.8
97.10139	1.0
98.97603	1.7
103.05419	1.6
105.07003	11.2
107.08569	12.7
109.02871	1.8
109.06494	4.1
109.10143	7.4
110.07122	1.7
111.04427	1.2
116.98592	1.0
117.06992	1.9
119.04911	1.0
119.08568	14.2
120.08088	3.2
121.06511	3.6
121.10144	12.4
123.08073	2.6
123.11687	39.9
125.05977	2.2
127.03889	2.5
128.10739	1.0
129.06998	1.7
129.10225	2.9
130.07777	1.7
131.08568	7.4
133.06470	2.5
133.10101	4.5
135.08054	9.1
135.11612	1.5
136.07561	1.6
137.09589	4.1
137.10631	1.0
141.05458	3.1
143.08539	3.2
145.04933	2.1
145.10094	9.7
147.04366	1.9
147.08020	8.7
147.11662	17.9
149.09598	19.3
156.09299	8.7
159.07961	1.6
161.09576	2.4
161.13214	3.3
163.11218	1.3
165.09094	4.5
165.12775	2.7
171.02998	1.0
171.11644	14.6
172.11977	1.3
173.12936	1.8
174.10313	1.6
179.06989	1.3
179.10588	1.9
182.39441	1.0
188.07068	1.3
189.09053	1.4
189.12718	48.7
190.13106	3.0
205.09712	1.2
207.10445	3.0
207.13766	100.0
208.14172	4.1
225.11195	1.8
234.98883	1.6
240.61192	1.1
242.15311	1.7
261.14493	1.3
313.08167	3.2
325.78979	1.1
331.09213	2.2
335.14771	1.1
355.09286	1.4
405.17441	21.2
421.13785	1.8
429.67795	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.2274
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48846	1.5
55.05490	5.3
57.54454	1.4
67.05482	5.8
69.03421	10.5
69.07027	1.8
69.67303	5.1
69.67712	5.3
70.06575	6.0
79.05483	10.3
81.03399	2.7
81.07037	4.7
83.04975	2.0
84.04505	2.2
84.08115	4.1
85.02399	2.1
85.02888	19.3
85.06521	6.3
86.09695	1.8
91.05461	21.7
93.07037	18.2
95.04941	2.9
95.08590	8.4
97.02890	3.1
103.05430	2.3
105.01867	1.5
105.07009	37.7
107.04926	2.7
107.08579	85.3
108.08872	2.2
109.02796	2.0
109.06487	11.5
109.10151	2.3
117.06989	3.5
119.08569	40.5
120.08089	2.1
121.06463	3.1
121.10125	15.0
123.08060	5.2
123.11654	4.1
127.03918	3.9
127.07539	4.3
128.06216	12.5
129.06946	6.3
131.08548	68.3
133.06425	3.7
133.10124	2.8
137.09587	10.1
140.60904	1.4
141.07022	2.3
143.08539	6.8
145.06476	2.1
145.10092	14.5
147.08014	4.8
147.11665	69.9
148.11981	3.5
149.09586	23.4
151.07529	4.8
156.09306	2.6
159.06508	2.3
159.11740	1.8
161.09567	4.7
161.13162	2.6
162.91669	1.7
163.11121	4.3
165.12738	3.9
171.11655	6.2
189.09087	20.8
189.12721	100.0
189.31306	1.6
190.13036	4.4
207.13774	92.8
208.14128	4.3
239.86620	1.5
256.77460	1.7
352.14673	1.9
358.72601	1.8
369.18463	1.7
387.20129	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1546
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59254	0.5
53.03927	1.2
57.03421	0.7
58.49060	0.5
61.02911	1.6
65.21582	0.5
69.03416	3.4
69.81104	3.5
70.06576	1.5
71.04973	0.6
72.08132	2.1
73.02908	0.6
81.03400	1.5
84.08129	1.5
85.02888	12.7
86.09676	1.1
91.03958	0.8
91.05470	4.8
93.07024	1.2
95.04932	1.1
97.02887	3.2
99.04420	1.3
105.03362	1.5
105.07020	1.6
109.02861	1.7
109.03692	0.6
110.07186	0.7
111.30466	0.5
115.05428	3.2
116.07077	0.8
117.07024	1.2
119.04928	8.6
119.08556	0.8
121.06481	1.3
121.10143	0.7
123.03545	1.2
123.04414	16.3
127.03886	2.4
129.10164	1.0
133.06471	0.9
135.08043	0.9
139.11258	0.5
143.04890	7.3
145.04938	3.0
145.06448	1.7
147.04388	27.8
147.11646	0.9
149.02318	0.6
149.09593	0.9
149.84991	0.6
159.02756	0.6
161.04601	1.0
161.05956	20.5
161.09595	0.7
162.06386	0.8
163.06226	0.8
163.07504	5.4
165.05460	12.6
171.08034	0.7
171.11617	0.8
175.03876	12.5
176.04265	0.7
180.08592	1.8
181.08578	2.0
184.66983	0.6
189.05399	1.4
189.12727	2.0
192.04080	3.8
207.06497	100.0
207.13820	1.9
208.06834	3.9
225.07532	18.6
226.07834	0.9
257.09811	0.7
272.18805	0.6
394.24753	0.6
405.11835	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.218
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	7.7
56.05012	0.7
57.05803	0.6
62.06071	0.8
62.12159	0.4
69.03408	0.6
69.07058	0.7
70.06582	3.0
70.17304	1.6
72.08140	100.0
73.08487	1.2
74.06065	0.9
74.78486	0.5
79.05503	0.7
84.08142	1.1
85.02882	1.0
86.09689	38.3
87.05575	0.4
87.10025	0.5
88.03993	0.5
91.05479	1.3
93.07064	0.5
103.60248	0.4
103.78027	0.4
116.07051	1.1
119.04954	1.1
120.08127	0.6
121.10124	0.6
129.01863	0.6
129.10246	1.0
132.10268	0.5
134.04434	0.6
135.28703	0.4
143.11768	25.7
143.31357	0.5
145.09702	0.7
147.04378	1.3
149.02461	0.4
171.11247	19.8
175.03909	1.5
179.03401	0.5
183.11327	1.1
185.16428	0.7
192.04193	1.2
201.12331	1.0
203.13988	1.2
207.06477	6.2
207.08047	0.5
225.07506	2.2
225.15921	6.9
233.11275	29.5
234.11601	0.6
241.14308	0.6
254.14948	0.5
270.18073	9.6
270.20874	0.7
271.18329	0.7
318.46155	0.4
318.72681	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.207
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	3.1
55.05492	5.9
60.04498	1.6
65.03941	1.3
67.05506	4.8
69.03407	3.3
69.07056	6.0
70.02945	25.9
70.06574	4.1
70.75558	1.2
70.75880	2.0
71.04980	3.1
72.08146	2.4
74.02431	19.0
74.06071	1.5
77.29151	0.9
79.05478	6.0
79.67052	1.0
80.05772	0.9
81.07037	12.2
83.04967	10.6
83.08617	1.5
84.04502	1.3
84.08128	2.7
85.02908	1.8
85.06532	2.7
86.09693	24.2
87.05580	51.0
88.03977	21.6
91.05461	7.3
93.07032	19.4
95.04951	7.6
95.08098	1.3
95.08603	10.7
96.04530	1.1
97.06512	10.0
98.97581	1.6
99.04444	4.4
100.07599	1.6
101.06022	0.9
105.07011	12.9
107.04912	2.5
107.08578	12.9
109.06503	6.9
109.10147	4.1
111.04451	1.1
111.08073	13.8
112.03999	1.1
113.05994	1.3
115.07565	1.0
116.03439	10.2
116.98624	1.0
117.06969	1.5
119.04915	1.2
119.08556	9.2
120.08117	1.5
121.06464	10.2
121.10139	2.2
123.04420	2.1
123.08036	2.3
123.11697	4.5
125.05985	8.5
127.03920	1.1
127.07576	1.9
128.06187	1.5
128.98520	0.9
129.01799	1.2
129.07066	1.6
131.08488	3.1
133.06068	100.0
133.10092	9.7
134.04489	1.9
134.06400	1.1
135.04427	1.4
135.08032	5.8
137.05971	2.2
137.09627	1.2
139.07545	6.2
139.95557	1.0
141.06581	1.7
141.45245	0.9
142.07721	1.3
143.06975	4.7
143.08536	1.5
145.10120	2.7
146.99620	1.4
147.08069	1.8
147.11668	20.2
149.13223	3.0
150.05415	1.1
151.11165	3.0
157.06169	1.4
157.08670	2.1
157.10110	4.6
158.04474	1.9
159.06506	1.8
159.07680	1.6
161.13237	2.4
163.07549	1.6
163.11205	1.1
165.12747	7.0
167.14323	1.8
169.12206	11.7
170.08058	1.4
171.11656	5.3
173.09630	2.0
175.07442	1.2
175.11147	14.4
181.27129	1.3
188.04675	2.7
189.12724	8.5
193.12216	12.7
198.07607	2.3
199.11128	5.1
203.07018	6.8
207.13742	3.8
211.13229	11.5
212.09204	1.1
215.10199	1.5
216.13976	1.0
217.12202	16.0
229.14268	5.8
231.06494	6.5
235.13274	13.4
237.02776	2.3
239.10275	1.5
240.08589	1.3
241.05153	1.6
245.18622	4.6
249.07553	6.6
252.15962	1.4
253.14281	8.8
254.14992	2.9
262.14304	2.3
272.16165	1.1
278.17520	2.8
280.15387	1.2
286.14462	2.1
295.01575	1.1
303.17212	1.1
304.15454	8.8
308.14719	4.5
309.06238	1.8
321.18289	1.4
322.16440	28.4
324.18274	1.2
325.08093	2.0
326.15811	1.6
327.07370	6.4
328.07635	1.1
331.16519	3.6
332.14868	2.3
340.17520	5.7
343.18607	1.5
349.17569	5.3
350.15942	5.1
353.07877	1.5
367.18500	4.6
368.16891	8.9
385.19693	14.4
385.24377	1.2
386.17963	1.6
403.20749	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	403.1958
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41109	2.7
52.41392	2.2
55.01864	4.9
55.05500	13.7
57.03433	5.3
61.02899	4.4
67.05484	9.7
67.87485	2.6
69.03421	16.7
69.07053	18.0
70.06575	28.6
70.21986	3.4
70.22305	14.0
71.04980	10.9
72.08144	39.2
74.06060	6.7
79.05491	9.7
81.07050	15.3
83.04970	27.2
84.04482	4.2
84.08123	11.3
85.02888	24.0
86.09696	39.7
91.05466	23.5
93.07024	24.1
95.04959	13.5
95.08591	42.9
97.02863	7.9
97.06584	6.2
97.07211	2.6
99.04456	5.8
102.05575	3.6
103.05453	2.9
104.48206	3.2
105.07011	18.0
107.04968	5.1
107.08579	24.3
109.02885	3.2
109.06490	7.8
109.10145	4.8
110.06052	3.4
111.04408	4.6
117.06938	4.1
119.04888	13.7
119.08563	41.7
121.06489	31.2
121.10130	12.9
123.04427	14.8
123.08060	23.3
127.03876	5.3
129.01828	6.2
129.05490	14.7
129.10191	14.9
131.08563	6.9
132.85533	2.9
133.10112	10.8
135.08038	100.0
135.11661	4.2
137.05980	24.2
137.09595	6.8
139.07495	3.8
142.07722	3.5
143.04918	5.6
143.07019	11.7
143.11790	4.6
144.09286	3.4
145.02812	5.2
145.04854	2.9
145.10078	5.8
146.03131	4.6
147.04375	27.6
147.11691	8.8
149.05962	3.3
149.09616	9.2
149.13257	3.8
151.07524	17.4
155.07013	3.9
157.01329	3.5
157.09903	5.4
159.11659	40.4
160.08824	9.6
161.04816	3.5
161.05911	17.0
161.09610	7.3
163.07503	6.1
163.11177	9.5
165.05408	9.4
165.09062	26.1
167.07019	4.6
175.03896	27.1
175.11145	83.2
177.05527	6.2
177.12711	29.0
178.05783	7.5
179.07011	4.6
179.10629	30.6
187.11150	10.9
192.04207	9.9
193.12209	56.9
201.12384	3.0
205.12213	38.9
205.13950	4.6
207.04530	5.3
207.06506	97.4
218.38976	2.6
223.13251	99.1
224.13875	3.9
225.07487	24.5
229.11714	6.6
229.15369	7.1
233.15022	3.5
241.14218	4.3
282.43085	4.0
293.95221	3.3
317.08899	5.5
359.10217	27.3
403.09607	39.5
403.14090	13.7
404.09805	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.3724
Annotation	7-Aminocholesterol
Peak:m/z	Relative Intensity
57.07063	0.2
60.28212	0.2
69.49706	1.4
87.04465	0.6
103.73120	0.1
106.06583	0.2
107.07331	0.3
118.06531	3.6
119.07230	0.2
120.08044	0.2
122.78091	0.1
128.94548	0.1
129.01823	1.2
130.06537	0.2
131.08548	0.1
132.08063	1.9
133.08842	0.4
139.00266	0.3
144.08038	0.3
145.08708	0.2
146.09625	4.5
151.09908	0.4
157.01282	0.3
160.11208	0.8
162.09114	7.4
163.09752	0.2
164.10645	0.2
174.09161	0.4
174.12810	0.3
176.10669	4.1
177.11406	0.9
177.12804	0.6
185.08118	0.6
187.04303	0.2
188.14355	0.3
190.12242	8.3
191.12749	0.3
202.15802	0.4
204.13828	1.7
204.17410	0.2
216.17409	0.3
217.03497	0.2
218.15378	0.6
218.19041	0.2
230.18944	0.3
232.16933	0.6
232.20531	0.3
234.22182	0.2
244.20616	0.4
246.18568	0.6
246.22113	0.2
259.15393	0.2
260.20148	0.5
268.74576	0.2
272.23740	0.3
274.21652	0.6
288.23203	0.4
302.24875	0.3
316.26410	0.3
316.29895	1.8
358.34619	8.2
359.34918	0.6
384.36194	0.4
385.23621	0.2
402.37299	100.0
403.37656	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	402.3723
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07059	1.4
61.02914	0.4
66.59374	0.2
67.05496	0.3
68.99772	1.4
69.51778	2.3
70.06582	0.3
71.97761	0.2
74.08668	0.2
87.04450	4.5
93.05814	0.2
107.07342	0.4
111.00807	0.9
118.06512	6.8
118.07309	0.4
120.08086	0.4
129.01813	11.7
130.06490	0.4
131.07283	0.3
132.08049	3.8
132.08951	0.3
133.08833	1.1
133.54462	0.2
134.09666	0.3
139.00229	2.8
144.08142	0.4
146.09613	8.0
146.10706	0.5
148.11122	0.2
151.09949	0.3
157.01288	5.1
157.02490	0.3
157.95837	0.3
160.11128	1.5
162.09113	6.3
163.09874	0.4
164.10568	0.2
174.09171	0.5
174.12878	0.5
176.10675	4.5
177.11407	0.7
177.12833	0.7
185.08052	4.9
185.09563	0.4
188.10789	0.4
188.14401	0.7
190.08643	1.4
190.12219	9.8
190.13930	0.5
190.15912	0.3
191.12680	0.5
198.38707	0.2
202.15906	0.5
203.07054	0.4
204.10202	0.9
204.13782	2.1
204.17307	0.3
204.22685	0.2
213.07590	1.0
216.17542	0.7
217.03334	1.1
218.11690	1.3
218.15442	0.6
218.19012	0.5
230.18935	0.6
231.06581	0.4
232.13350	0.7
232.17003	0.8
232.20694	0.3
244.20720	0.4
246.18573	0.6
249.07593	0.5
259.15341	1.7
260.19934	0.5
260.23730	0.3
272.23828	0.3
274.21674	0.4
288.23196	0.3
288.26874	0.9
302.24991	0.5
302.28452	1.3
316.29901	16.1
317.30289	2.0
330.31656	0.4
358.30087	0.4
358.34576	8.0
359.34949	0.8
402.33383	30.4
402.37332	100.0
403.18832	2.0
403.33765	5.3
403.37689	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	402.336
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75997	0.2
63.43750	0.2
70.85893	0.7
71.68958	0.2
87.04452	15.0
88.04793	0.3
93.05753	0.3
107.11515	0.2
108.41074	0.3
118.06519	5.9
120.08048	0.5
127.93125	0.2
131.07274	0.3
132.08070	4.0
133.08902	1.2
142.16528	0.2
146.08469	0.5
146.09615	8.1
147.09935	0.3
160.11163	1.6
160.65508	0.2
164.51932	0.2
174.12762	0.5
179.81020	0.2
188.14262	0.7
190.15823	0.6
202.15891	0.9
204.10120	0.3
216.17390	0.8
218.11713	1.1
218.18977	0.4
219.12640	0.3
230.18973	0.8
232.13232	0.9
232.20467	0.3
244.20514	0.4
246.14880	0.3
283.26395	0.3
316.29922	48.6
317.30212	2.4
376.55838	0.3
402.33594	100.0
403.33994	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	402.336
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13941	0.2
54.97890	0.2
57.07384	0.2
69.49548	2.4
87.04450	13.8
96.25140	0.2
98.20759	0.5
107.07285	0.4
116.10650	0.3
118.05698	0.5
118.06516	9.1
120.08066	0.4
130.06439	0.5
132.08054	3.4
133.08878	1.3
146.08482	0.5
146.09610	9.3
147.10017	0.3
160.11243	1.4
174.12785	0.6
188.14207	1.1
190.15756	0.5
202.15848	1.0
204.10109	0.7
216.17435	1.0
218.11775	0.5
218.18991	0.8
219.12587	0.3
230.18912	0.5
232.13242	1.1
244.20517	0.5
246.21973	0.3
316.29919	48.6
317.30215	3.0
402.33585	100.0
403.33899	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	402.3723
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07060	0.3
69.32345	2.1
69.37443	0.2
71.77408	0.2
81.07043	0.4
81.46356	0.2
87.04469	1.4
91.05487	0.3
93.07066	0.2
98.21514	0.4
100.27955	0.2
107.07312	0.3
117.07050	0.2
118.06521	4.6
120.08138	0.4
125.05983	0.2
129.07037	0.2
130.06526	0.2
131.07317	0.2
132.08058	2.8
133.08867	0.8
140.45100	0.2
144.08047	0.3
146.09625	5.9
146.10728	0.3
150.09178	0.2
151.09918	0.3
160.11224	0.8
162.09109	5.6
162.10446	0.3
163.09515	0.3
171.11737	0.2
174.09184	0.4
174.12854	0.5
176.10672	4.8
177.11407	0.9
188.10796	0.2
188.14410	0.3
190.08662	1.0
190.12230	9.4
191.10800	0.2
191.12637	0.4
202.15794	0.4
204.10280	0.7
204.13826	1.7
204.17572	0.3
216.17570	0.3
218.11710	1.1
218.15402	0.5
230.18968	0.3
232.13419	0.3
232.17038	0.7
244.20708	0.4
246.18411	0.9
246.22195	0.3
258.22153	0.3
260.16745	0.2
260.20209	0.6
260.23929	0.3
272.23853	0.2
273.18369	1.0
274.21542	0.4
288.23627	0.4
288.26962	0.8
295.24292	0.3
302.24768	0.4
316.26511	0.2
316.29913	4.6
316.33575	0.2
317.30389	0.6
340.35782	0.3
358.34625	8.2
359.35110	0.8
371.22644	0.2
384.36478	0.4
385.23880	0.7
402.37512	100.0
403.33945	1.2
403.37903	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	402.2634
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02696	0.2
50.60361	0.2
55.05497	0.5
57.03426	0.6
64.00906	0.2
67.05489	1.5
69.07050	0.8
69.50369	0.7
69.50793	1.5
70.09064	0.2
79.05479	6.7
81.07040	3.0
83.04978	0.3
83.08600	0.5
87.04446	0.8
91.05476	1.9
93.07030	4.0
95.08604	0.7
97.06532	1.6
105.07007	1.4
107.04949	1.0
107.07317	0.3
107.08569	3.2
109.06436	0.3
111.04424	0.9
115.99068	0.2
117.07011	1.8
118.06539	4.3
119.08564	0.9
120.08060	0.2
120.29063	0.2
121.10136	1.0
125.05976	3.2
126.66603	0.2
129.01799	0.4
131.08563	1.0
132.08064	1.5
133.08887	0.2
133.10118	0.8
135.08070	1.7
135.11707	1.5
144.08087	0.3
145.10104	0.6
146.09616	4.0
149.05942	0.3
149.09579	0.4
149.13246	9.0
150.13617	0.3
155.08601	0.2
159.11673	2.5
160.11176	0.8
161.05992	0.3
162.09116	5.9
164.69115	0.2
173.09505	0.3
174.09090	0.3
174.12759	0.4
175.11211	0.4
176.10701	3.5
177.12726	58.7
178.13120	2.0
188.14241	0.4
190.08621	1.8
190.12239	6.9
191.10645	6.5
195.13795	5.4
199.37300	0.2
202.15916	0.4
204.10126	0.8
204.13763	1.4
216.17467	0.5
218.11731	1.8
232.13326	0.3
232.16974	0.6
241.12054	0.3
246.18523	0.5
258.22079	0.4
260.20056	0.7
260.23849	0.3
269.15298	0.4
274.21692	0.4
283.16931	1.0
316.26382	0.4
316.29892	3.0
330.27750	0.3
330.31534	0.5
339.23154	2.3
340.88870	0.2
349.21628	0.4
358.34653	7.7
367.22665	5.1
384.36066	0.3
385.23682	17.9
386.24084	1.0
402.37549	100.0
403.24414	0.3
403.38156	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.2481
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	2.4
55.05493	3.7
57.03426	1.3
59.82718	1.1
61.59386	1.1
63.53831	1.0
67.05485	4.8
68.70854	1.0
69.03398	3.4
69.07060	7.2
70.06574	5.2
71.02742	2.6
71.03118	2.1
71.04972	2.4
72.08131	2.0
79.05480	6.3
81.03380	1.9
81.07039	12.3
82.06553	1.5
83.04970	5.7
83.08589	1.9
84.08113	3.6
85.02879	4.3
85.06537	1.6
86.09692	100.0
87.04448	1.9
91.05465	5.8
93.07014	13.7
95.04964	5.7
95.08598	6.3
97.02858	2.3
97.06519	9.2
98.06052	1.1
99.04428	2.8
100.07620	1.4
104.07076	2.1
105.07001	12.2
107.04913	3.7
107.08559	8.5
109.02856	1.1
109.06499	4.6
109.10132	2.0
111.08067	8.0
117.06963	2.0
119.08579	6.1
121.06490	10.0
121.10113	3.0
123.04400	3.8
123.07995	1.3
123.11681	2.9
125.05975	6.1
127.03886	1.9
127.07570	1.8
129.01833	1.9
131.08560	2.7
132.09183	1.8
132.10184	27.8
133.10109	6.5
135.04367	1.4
135.08018	3.2
137.09587	1.6
139.07523	4.9
141.05431	1.3
143.07001	4.1
145.10086	2.7
147.11662	11.3
148.11975	1.7
149.02315	10.8
149.13184	1.4
151.11089	1.9
157.08600	1.5
157.10123	3.2
161.13228	2.2
165.12746	4.0
167.06972	1.8
169.12210	4.7
171.11636	2.8
173.09637	1.7
175.11128	9.0
189.12680	5.0
193.12157	8.1
199.11136	4.2
207.13805	2.5
211.13293	6.3
217.12224	9.5
223.09633	1.6
224.16328	1.1
228.15993	1.4
229.14336	2.4
235.13271	6.0
242.17422	1.3
252.15852	2.2
253.14328	4.2
261.49896	1.3
270.16937	5.6
275.94727	1.2
276.35092	1.3
294.24200	1.5
296.22134	2.0
302.21149	4.9
320.22150	13.6
321.22656	1.2
324.21793	1.6
338.23175	24.4
340.24579	1.7
342.22351	1.4
348.21750	3.5
356.24237	8.2
366.22531	7.1
384.23804	13.7
402.15219	1.6
402.22235	8.6
420.58649	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.2634
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	0.1
53.77639	0.1
55.05502	0.7
57.07068	3.6
57.31078	0.2
60.59359	0.2
63.09597	0.1
65.03927	0.3
67.05495	2.7
67.75153	0.1
69.03413	0.2
69.07060	1.5
69.57497	0.7
69.57933	0.6
70.06583	0.3
71.04975	0.3
71.08618	0.4
73.06499	0.2
79.05042	0.3
79.05479	4.0
81.07044	3.5
83.04956	0.2
83.08608	0.4
85.06529	2.5
87.04454	4.7
88.07660	0.2
91.05460	4.1
91.05989	0.3
93.07030	2.4
95.08614	1.0
96.42634	0.1
97.06518	0.9
97.10156	0.3
99.08112	0.2
105.03382	0.2
105.07020	1.6
107.04941	0.6
107.07330	0.6
107.08569	1.4
109.10146	0.9
111.04427	0.6
111.11707	0.2
115.05437	0.4
117.05778	0.2
117.06998	3.1
118.06523	6.9
118.62167	0.1
119.06026	0.1
119.08568	1.1
120.08064	0.4
121.06452	0.3
121.08873	0.2
121.10136	0.6
123.11680	0.5
125.05973	1.7
128.06227	0.3
129.06989	4.0
130.06558	0.4
131.07471	0.3
131.08542	2.8
132.08061	4.5
133.08852	1.4
133.10101	0.7
134.09607	0.2
135.04388	0.6
135.08063	0.3
135.11658	0.5
137.05966	0.3
141.06976	2.2
143.08537	2.7
144.08041	0.5
145.06444	0.2
145.08960	0.3
145.10071	1.8
146.09621	8.2
147.11670	0.8
149.05939	0.8
149.13232	3.4
151.07471	0.3
151.09877	0.2
155.08530	1.0
157.10110	2.9
159.10423	0.3
159.11658	2.2
160.11186	1.6
161.13286	0.4
162.09113	5.9
162.12666	0.2
163.09816	0.2
163.11177	0.3
163.14806	0.2
167.08528	0.8
169.10101	3.2
171.11650	3.0
173.09618	0.3
173.13216	0.9
174.09137	0.2
174.12769	0.5
175.07535	0.2
175.09862	0.2
175.11189	0.6
176.10670	5.5
177.11432	0.6
177.12747	1.8
181.10129	0.5
183.11687	1.4
185.09610	1.1
185.13249	1.3
187.11139	0.7
187.14772	0.3
188.10510	0.2
188.14326	0.6
189.09082	0.2
189.12743	1.1
190.08638	0.8
190.12231	9.5
191.10643	5.8
193.12146	0.3
195.11916	0.4
195.13762	2.7
197.13239	1.0
199.11188	0.6
199.14825	0.6
202.15886	0.6
203.10652	2.2
204.10201	0.7
204.13803	1.9
207.13818	0.8
209.13252	0.3
211.14815	0.5
216.17484	0.5
217.12207	0.7
218.11710	1.4
218.15364	0.6
218.18997	0.5
225.16330	1.9
227.14326	0.4
227.17906	4.9
229.12167	0.2
229.19495	1.0
230.19016	0.7
232.13356	0.8
232.16920	0.7
232.20615	0.4
235.22874	0.2
237.16400	1.0
239.17905	1.3
244.20653	0.6
245.18970	0.3
246.18517	0.7
246.22090	0.5
255.17383	2.5
258.22153	0.2
260.16367	0.3
260.20056	0.6
260.23709	0.3
272.23694	0.2
273.18448	21.5
274.18683	1.2
274.21609	0.8
276.23560	0.2
283.16931	0.3
288.23239	0.6
288.26819	3.1
290.24780	0.3
293.22739	0.6
295.24155	10.1
296.24567	0.5
297.25717	0.6
301.18066	0.9
302.24707	0.5
302.28424	1.5
311.23752	0.4
313.10205	0.2
313.25223	0.3
316.29932	14.7
317.30441	0.4
321.21918	0.2
323.23636	0.2
330.31476	0.2
339.23193	0.7
340.35651	0.5
341.24719	2.3
344.33011	0.2
357.23993	1.2
358.34604	8.5
367.22675	0.3
384.36118	0.3
385.23672	15.5
386.23999	0.9
402.33365	32.0
402.37277	100.0
403.32925	1.3
403.38623	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.1905
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12812	1.2
57.07048	1.3
67.05489	3.4
68.35561	1.1
69.07047	3.4
70.06584	1.9
72.08141	1.2
79.05486	3.8
81.03414	1.3
81.07039	2.4
83.04942	1.4
84.08104	1.7
86.09716	1.5
91.05444	5.7
93.07030	3.5
95.42798	1.2
97.06516	1.4
103.05413	1.4
105.07041	2.4
107.08543	1.8
116.08086	1.2
117.03387	2.0
117.07003	3.9
119.08555	1.7
121.06516	9.0
127.03876	1.1
130.07797	1.4
135.04387	1.7
142.03209	4.8
143.03522	2.0
145.02847	4.4
145.10098	7.6
149.05988	1.8
155.08519	2.7
163.11182	2.6
170.02692	1.7
173.09602	11.2
177.05435	13.6
181.42630	1.0
191.10646	100.0
192.11009	3.2
195.06581	1.7
288.07385	1.3
313.64853	1.3
333.41150	1.5
354.04742	1.6
402.24149	1.3
402.28571	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	401.2893
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.7
55.01867	4.2
55.05497	7.8
57.03423	0.8
57.07067	61.3
67.05499	19.3
69.03425	10.1
69.07055	12.1
70.06575	1.6
71.04980	3.7
71.08622	47.5
73.02908	2.6
79.05475	1.4
81.03408	9.9
81.06568	1.5
81.07049	28.8
83.08605	18.1
85.02901	3.5
85.10172	27.9
87.04445	3.7
88.07620	1.8
95.08596	41.0
97.02879	71.5
97.10165	10.4
99.04436	20.1
99.11714	2.4
101.02368	0.9
102.09178	1.7
109.02867	12.6
109.10143	20.1
111.11713	1.9
118.06540	1.7
123.11685	9.9
125.13255	3.1
127.03905	35.7
127.14810	1.1
137.13202	4.5
139.14758	2.1
145.04907	4.6
146.09612	3.3
151.14854	1.6
165.16354	1.5
170.20619	0.9
177.12282	1.0
192.11150	0.9
221.22643	5.4
235.30589	1.0
239.23662	100.0
239.84833	0.8
240.24097	4.4
257.24728	2.7
270.90195	0.9
311.25507	1.0
313.54843	0.9
316.29877	13.1
335.25867	3.1
339.34348	1.7
340.35690	1.2
383.28122	4.2
386.93423	0.9
401.28537	1.1
401.38324	4.7
402.33731	37.1
402.39249	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	402.1751
Annotation	Unknow
Peak:m/z	Relative Intensity
54.92323	0.2
57.07062	1.4
65.03923	0.6
67.05492	0.4
69.03409	0.7
70.06561	1.0
70.16608	0.9
72.08125	0.3
74.15564	0.3
83.04977	0.3
84.08111	0.8
85.02895	1.2
86.09695	0.3
90.05533	0.3
93.03355	0.5
93.07077	0.3
97.02872	0.5
97.06473	0.3
99.56371	0.2
105.06963	0.2
111.04436	0.3
119.08487	0.3
121.02843	2.5
121.03638	0.3
121.03915	0.2
127.03871	0.4
129.01894	0.2
129.10223	0.3
129.49570	0.2
145.04895	0.5
149.02310	100.0
150.02661	2.5
160.23849	0.2
167.03365	2.5
180.08559	0.4
190.04977	0.7
205.06807	0.4
205.08585	4.0
223.09610	13.8
224.09886	0.5
316.59821	0.2
330.95905	0.3
342.16791	0.3
358.90469	0.2
402.22617	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.1753
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	2.1
55.01862	2.2
55.05506	2.3
61.02908	1.5
65.03925	5.1
67.05482	2.1
69.03410	2.4
69.07056	2.4
70.06583	9.2
71.04959	1.9
71.36613	1.6
72.08135	2.1
79.05474	10.2
81.03402	4.4
81.07043	3.8
82.06557	2.2
83.04940	1.5
84.08123	5.2
85.02891	6.6
85.06499	0.9
86.09688	11.9
91.05474	8.1
93.03395	8.8
93.07027	5.5
95.04948	4.2
95.08585	1.9
97.02870	3.7
97.06499	2.7
100.07603	1.2
103.05437	2.9
104.05284	1.1
105.03373	10.8
105.06971	4.3
107.04938	22.3
107.05609	1.7
107.08564	2.1
109.02853	1.5
109.06485	1.3
110.07173	1.3
116.07085	5.3
117.07050	1.1
119.04935	2.6
119.08572	2.0
121.02843	4.2
121.06490	2.0
121.10134	2.0
123.04456	1.3
125.05971	1.7
127.03871	2.9
127.71700	1.0
129.10199	0.9
131.04915	1.7
131.08545	4.6
133.02728	1.0
133.06407	1.6
133.10097	1.7
135.04401	8.6
135.08049	1.1
137.05942	1.0
137.09589	1.0
138.62022	0.9
145.04988	1.1
145.10118	1.5
149.05940	1.2
149.09604	3.1
159.08026	1.9
161.06001	1.5
163.03885	84.6
163.11208	0.9
164.04225	3.7
165.05449	2.1
167.07016	1.1
177.05409	1.7
177.09070	4.2
205.08566	100.0
206.08957	4.7
216.71657	0.8
218.11850	1.4
219.10164	1.4
219.43143	0.9
223.09619	37.6
224.09949	2.3
229.05981	0.9
241.08627	1.0
301.37097	0.9
320.03317	1.0
323.32822	0.8
384.66339	1.0
402.12775	2.5
402.22760	8.4
402.28003	1.4
403.12994	0.8
403.23145	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1592
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77445	1.5
51.91002	2.1
53.03921	3.3
54.21006	1.6
55.01867	2.2
55.05491	5.7
57.03432	2.8
57.15232	1.6
60.04503	1.8
65.52695	1.5
67.05491	5.5
69.03411	7.5
69.07043	5.0
70.06599	12.7
70.06919	2.6
70.60735	5.4
71.04976	3.1
72.02275	1.4
72.08146	20.3
79.05482	19.5
81.03409	9.1
81.07050	15.2
83.04952	8.1
84.04485	3.0
84.08144	9.4
85.02894	5.3
85.06498	2.0
86.09695	39.8
91.05460	10.7
93.07014	9.7
95.04958	5.4
95.08578	7.5
97.02876	3.7
103.05454	2.4
105.07029	9.4
107.04939	32.6
107.08575	7.9
109.02869	2.9
109.06522	3.6
109.10155	5.0
110.07108	1.7
111.04444	2.2
111.08076	3.0
116.06188	2.5
117.07005	4.4
119.08565	7.5
120.08080	6.6
121.06506	6.7
121.08423	2.9
121.10128	6.5
123.04394	4.0
123.08039	3.3
124.05196	5.9
125.05960	5.8
127.03905	2.6
129.07016	9.6
129.10229	5.2
131.04977	1.8
131.08527	10.0
132.10156	1.7
133.06454	1.7
133.10132	5.5
135.08040	2.1
135.11662	4.0
137.05943	5.5
137.09622	7.3
141.06979	4.9
143.11772	3.8
144.05688	7.7
145.04846	2.1
145.06444	6.4
145.10104	2.3
147.04442	3.1
147.07957	1.9
151.03885	3.0
151.07593	2.4
152.04654	3.8
153.10181	4.8
156.05656	11.8
157.06494	3.9
159.04358	2.4
159.07994	15.7
159.59360	2.1
161.05882	3.0
161.13286	2.6
163.03885	5.5
163.11119	2.2
165.06946	3.0
165.09143	2.6
165.12703	2.1
167.07024	92.3
168.07391	1.7
170.05966	2.2
172.05225	2.0
173.02292	2.8
173.05937	3.6
175.07539	2.3
175.14758	2.8
177.05498	2.6
179.07021	3.3
181.08530	2.5
184.05179	3.6
185.16449	5.3
186.06766	4.1
187.07484	12.5
190.06291	3.5
191.06978	2.8
191.08516	2.7
193.08618	2.4
195.06526	3.8
201.09068	2.2
202.06190	6.0
202.07822	3.6
203.14320	1.8
205.08508	18.1
205.10118	2.4
207.06508	6.7
207.11359	3.3
208.05185	18.2
208.08821	3.0
208.11517	2.9
210.06740	4.7
213.15985	4.1
217.08571	46.1
218.07286	3.5
219.08012	10.7
219.10112	7.4
220.08850	2.8
221.05896	4.8
221.15341	34.1
224.04628	2.4
229.08571	4.3
231.07954	5.7
231.10135	3.6
233.09631	5.6
234.06746	3.6
235.07460	2.7
235.11180	2.2
236.04591	8.5
236.08240	4.0
238.06061	3.4
239.10707	2.0
240.04181	3.9
245.09612	2.0
245.18640	3.0
247.07443	8.9
247.09650	22.0
248.08221	10.3
249.05424	4.5
249.09016	4.0
251.10564	3.8
253.08479	2.0
254.05763	9.9
255.06303	2.2
257.04297	3.1
259.07712	3.1
261.09076	4.2
262.09866	2.6
263.06989	3.1
263.10641	7.4
264.07809	7.6
265.08542	6.4
267.06461	7.2
268.03690	2.2
269.08054	24.8
270.18011	2.1
271.09579	7.9
272.06738	5.1
275.06943	4.7
276.07706	5.9
277.08554	6.4
279.09924	8.7
281.08078	3.3
282.05084	5.1
282.08798	12.2
284.06775	2.8
285.07602	2.0
287.09088	5.0
290.09366	6.1
291.10046	10.9
292.07199	5.8
292.10696	2.6
293.08023	5.7
296.10474	2.7
299.09082	5.2
300.06244	3.7
301.07037	4.8
305.07932	3.3
307.09451	11.0
308.10376	5.4
309.07669	2.0
309.11029	3.1
310.08295	5.5
311.12729	3.8
315.08557	90.3
316.09048	3.1
319.09573	7.8
321.07550	2.6
321.11050	3.0
323.12769	15.1
328.09509	4.2
330.10931	100.0
331.11630	21.0
336.09900	4.0
337.10608	6.2
338.07574	2.2
339.12192	9.4
343.11707	19.2
351.12253	36.0
352.12875	7.2
353.10153	7.7
356.12485	3.2
368.12555	8.9
369.13123	5.0
371.14694	7.2
383.14807	70.5
384.15378	4.2
401.15964	34.8
401.21368	4.6
401.28488	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	400.2172
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.2
55.01851	1.8
55.05492	2.3
55.17284	1.1
55.74289	1.0
56.05017	1.1
57.03424	14.4
59.05000	4.8
60.04501	1.7
61.02908	4.4
62.06055	1.3
67.05479	2.8
69.03416	61.9
69.07062	1.6
70.06582	11.8
70.80540	1.1
70.80881	2.9
71.04977	1.7
72.08132	3.0
73.02894	3.6
75.04447	2.5
79.05511	1.1
80.20451	0.9
81.03400	4.1
82.06541	1.5
83.04958	2.0
83.08596	1.2
84.04491	2.5
84.08136	5.7
85.02889	81.7
85.08401	1.1
86.03210	1.3
86.09679	6.1
87.04453	45.3
87.10019	1.5
91.03934	3.4
91.05444	2.9
95.01285	1.1
95.04938	5.9
95.08573	1.2
97.02874	56.2
98.03245	1.4
99.04435	4.4
100.07592	2.8
100.11231	4.0
101.11566	2.3
103.03921	1.1
105.06976	1.4
107.04913	1.7
109.02842	4.9
111.04442	2.5
115.03911	77.0
116.04234	1.7
116.07017	2.5
116.78503	1.1
119.04898	1.1
119.08527	1.2
120.08077	1.8
127.03899	18.4
128.07056	2.9
129.10255	2.3
133.04941	100.0
136.06192	1.1
136.07495	1.5
139.03813	1.1
140.07042	1.4
145.04930	37.8
147.07933	1.1
150.07607	8.8
151.05992	1.4
163.05986	20.9
164.42342	1.2
169.04897	2.6
182.15385	3.0
183.15697	3.1
193.04895	1.1
210.14862	4.7
211.15233	7.7
221.08022	1.7
241.07057	1.9
251.14847	3.5
256.17123	1.6
259.08072	3.2
277.09119	2.6
295.10095	4.1
303.05246	1.1
338.21448	3.0
355.24152	3.0
383.23578	3.7
400.26077	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	400.3931
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07049	0.5
66.75662	0.2
69.07053	0.4
69.84282	0.2
71.63631	0.2
71.63986	0.2
79.05498	0.3
81.07020	0.5
87.04450	0.7
95.08549	0.2
118.06522	3.3
121.08873	0.3
131.07249	0.6
132.08066	9.4
133.08830	0.8
133.09882	0.2
134.09627	0.3
144.08078	0.8
145.08836	0.4
146.09622	8.7
147.10353	0.8
160.11194	8.5
174.12744	1.9
175.75554	0.2
188.14319	1.0
202.15909	1.1
216.17477	0.7
221.06056	0.2
228.26764	0.2
230.19003	0.4
244.20677	0.8
246.21974	0.3
251.60349	0.2
258.22156	0.9
260.23779	0.3
272.23630	1.4
274.25241	0.6
286.25275	0.6
300.26767	0.4
400.39313	100.0
401.39667	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	399.216
Annotation	Microlobin
Peak:m/z	Relative Intensity
55.05502	15.0
57.07063	14.5
67.05487	17.1
69.03443	2.7
69.07061	16.4
69.46072	13.5
69.46504	11.0
71.08621	8.1
79.05473	6.4
81.07031	17.2
83.01311	6.0
83.08590	8.4
85.10161	2.9
91.05460	9.9
93.07033	4.6
95.08588	14.2
97.10185	3.9
105.07034	7.9
105.92222	2.7
107.08560	4.6
109.10125	7.5
117.07035	3.2
119.08630	2.7
121.10065	3.0
128.06215	3.7
129.06963	6.6
141.07021	6.9
143.08493	3.3
145.06493	6.0
147.06523	2.7
147.07935	2.9
155.04922	2.8
155.08528	4.0
157.06438	5.3
161.05974	19.3
163.03816	3.6
165.06905	3.7
170.07324	3.2
171.08031	13.4
174.09904	4.7
175.04010	2.9
175.07542	3.1
181.06494	12.8
184.05235	6.4
185.05928	10.2
185.09636	5.0
187.07579	4.0
189.05434	29.0
191.10637	33.7
192.04137	3.5
192.10971	28.2
196.05286	3.3
197.06084	4.7
198.06717	12.1
199.03889	13.1
199.07469	19.5
200.04686	6.9
201.05423	15.8
201.09145	4.2
203.03372	12.6
205.04930	30.2
207.06494	12.9
209.05980	11.2
211.07542	9.8
212.04639	31.0
212.08279	3.8
213.05472	35.0
213.09059	11.9
214.06194	20.0
215.06987	24.6
216.04152	22.8
217.04971	8.2
217.08612	3.8
218.05698	4.2
219.06491	83.0
221.06009	4.6
222.06766	5.4
223.07416	5.1
225.05431	9.3
225.09111	7.6
226.06206	16.8
227.07008	67.7
227.10471	4.7
228.07762	10.3
229.04987	24.2
229.08511	6.6
230.05673	5.1
231.06540	20.2
237.05405	3.8
237.09050	4.1
239.07077	7.6
240.07820	3.7
241.08589	35.0
242.05775	10.9
243.06464	8.5
245.08020	4.8
247.06036	17.6
253.08650	11.1
254.05646	7.0
255.06464	28.1
255.10243	3.8
257.07996	16.8
259.09525	4.0
265.08554	4.2
269.08069	55.1
270.08447	3.8
271.09598	3.2
281.11673	4.3
283.09839	4.6
285.07693	4.2
337.17929	7.3
338.18835	3.5
339.19531	38.3
345.18146	4.0
353.21030	62.7
354.18060	8.0
357.20627	4.7
363.19388	17.0
367.19101	7.1
369.20532	21.6
371.22266	16.3
381.20557	100.0
382.21045	11.8
399.21652	98.1
399.30621	66.5
399.35544	2.4
400.21973	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	399.2161
Annotation	3-Oxo-scilliphaeosidin
Peak:m/z	Relative Intensity
55.01874	1.6
55.05516	8.1
57.03418	2.8
57.07062	5.9
65.04435	1.5
67.05492	10.1
69.07065	8.9
69.93752	4.9
69.94174	4.7
70.06546	1.9
71.08608	5.1
72.93760	2.4
79.05491	13.8
81.07041	16.7
83.04989	3.2
83.08600	4.5
90.72382	1.8
91.05487	12.2
93.07034	11.5
95.08588	12.0
97.02909	3.6
101.06005	2.3
103.05469	3.5
105.06992	9.2
107.04956	2.2
107.08585	4.0
109.10110	5.7
111.88529	1.9
115.05428	2.5
117.06987	6.1
119.08568	4.5
121.06450	2.8
121.10127	2.7
129.07018	2.3
131.08501	4.4
133.02782	1.7
133.06404	2.1
133.10083	3.5
135.04437	2.9
135.11682	2.5
142.07666	1.6
143.08510	2.3
145.06493	4.7
145.10091	5.5
147.04445	2.0
147.06509	2.6
147.08046	1.7
147.11674	3.7
149.05971	5.6
149.13231	3.6
155.08553	2.6
157.06445	1.7
159.08003	2.2
161.02296	2.4
161.05994	8.2
163.07533	14.7
163.11137	3.4
167.08496	1.8
171.07996	2.8
173.02325	4.3
173.06029	3.0
175.03902	4.3
175.07484	2.2
177.05440	6.5
179.08553	3.2
181.06413	2.0
182.07324	3.7
184.05177	3.1
185.05965	4.0
187.03809	2.1
190.02502	2.2
191.07008	17.7
191.08804	2.4
191.10654	42.2
192.10951	12.0
197.05882	2.8
198.05069	2.0
198.06750	6.6
199.07458	8.4
200.04662	3.1
201.05431	6.7
201.09111	3.6
203.03372	48.8
203.06975	5.2
205.04936	34.1
207.08026	2.1
209.09676	1.8
211.07509	5.0
213.05428	15.3
213.09055	6.5
214.06345	3.0
215.07077	8.0
216.04163	43.9
217.04839	3.5
221.06163	2.1
221.08104	12.8
222.06693	2.9
223.07460	5.3
224.08179	3.7
225.05452	2.0
225.09132	2.5
226.06235	4.8
226.81168	2.0
227.07007	6.3
227.10677	2.5
228.07687	3.1
229.04933	5.4
229.08626	2.4
231.06496	100.0
232.06895	2.8
235.05882	16.7
235.07626	1.7
237.09029	2.1
239.06924	2.9
241.08589	10.8
249.07538	2.1
250.06230	3.2
251.06976	2.0
251.09212	2.4
253.08685	3.3
255.10129	2.1
265.08530	5.4
265.12094	1.5
267.06448	8.3
269.08047	3.9
279.10065	1.9
301.78198	1.9
305.12213	2.2
319.43900	1.8
322.24469	1.9
335.19894	2.9
345.18289	1.9
353.21249	11.8
355.18915	2.1
355.22839	2.9
363.19519	5.5
371.22031	7.2
381.20557	53.4
382.20755	3.4
386.15634	1.9
399.16376	2.7
399.21588	51.8
400.21896	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	399.2159
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35993	2.2
55.05492	8.1
57.07069	10.8
58.90588	1.9
60.44592	2.2
67.05496	9.0
67.05822	2.1
69.07048	11.0
71.08627	4.0
71.58278	3.8
79.05480	4.8
81.07042	17.8
83.08600	7.2
85.10184	3.4
91.05457	6.8
93.07042	5.2
95.08595	12.5
97.02881	2.3
97.06519	2.2
97.10167	2.6
99.08030	2.1
103.05445	2.0
105.07026	6.0
107.08581	3.5
109.06499	2.1
109.10154	5.9
117.06993	3.2
121.10174	2.8
128.06171	4.4
129.07004	3.3
131.47319	2.0
133.06552	2.5
145.10109	3.6
147.11749	2.7
149.05945	2.4
155.08522	3.2
161.05919	10.2
173.02251	6.6
173.09628	6.2
174.09918	4.1
175.03993	3.4
179.08514	2.7
181.06522	3.1
185.05949	5.2
186.06662	3.3
187.07545	8.1
190.02530	3.6
191.10623	38.5
192.10973	36.3
195.08145	2.6
197.05936	2.9
198.06767	10.7
199.07515	14.7
200.04611	4.6
201.05431	6.3
201.09129	4.4
203.01442	4.7
203.03351	100.0
204.14520	2.2
205.04912	21.3
205.06511	2.9
210.06729	3.1
211.07565	5.1
212.08289	4.7
213.05464	16.7
213.08980	12.4
214.06157	2.7
215.06989	10.9
215.10553	3.0
216.04138	29.8
217.04906	7.1
217.08308	3.1
222.06796	2.4
223.07494	5.7
224.08270	4.2
225.09001	10.4
226.06238	10.0
227.06955	13.7
227.10619	4.5
228.07748	6.8
229.04916	4.7
229.08606	6.0
231.06485	60.5
235.07457	3.1
237.09134	4.0
238.06187	3.8
239.07010	4.3
241.08551	22.5
243.06499	8.1
250.06091	2.5
251.10669	3.6
253.08557	5.1
265.08478	6.7
269.08075	4.3
279.10468	2.3
283.09833	3.5
284.16043	2.3
330.36142	2.7
335.20139	2.6
337.21536	5.8
353.21078	22.6
363.19495	8.0
371.22098	3.9
381.20499	44.6
381.25040	4.0
382.20847	22.6
399.21625	39.3
399.30563	28.0
400.21857	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	399.2157
Annotation	Galbanic acid
Peak:m/z	Relative Intensity
55.05495	12.3
57.07066	17.3
67.05486	14.8
69.07049	15.6
69.55219	25.1
71.08611	7.4
79.05472	4.5
81.07034	15.4
83.08590	8.2
95.08572	15.2
107.08585	4.0
109.10157	4.1
121.10154	3.5
129.06969	5.9
134.84749	2.9
135.10173	2.9
141.07014	3.2
143.08510	4.8
148.92072	3.1
151.48395	3.0
155.08501	3.4
157.06480	4.1
161.05956	8.6
169.06413	5.7
171.08041	11.9
172.05128	4.4
175.07480	3.9
180.30531	2.9
181.06470	16.7
184.05156	12.7
185.05930	9.5
186.03206	5.0
186.06734	5.5
187.07568	5.3
195.08031	5.0
197.05945	9.2
198.06750	10.7
199.03864	12.2
199.07494	18.3
200.04659	10.1
201.05444	18.5
201.09029	3.8
203.03334	10.0
205.04962	8.0
209.05893	11.7
209.09581	3.2
210.06598	5.2
211.07579	6.4
212.04648	36.1
213.05441	33.2
213.08911	15.4
214.06165	14.2
215.06964	25.8
216.04187	10.0
217.04956	7.1
221.05920	5.8
222.06763	6.2
223.07570	5.9
224.08325	3.6
225.05421	10.2
225.08978	6.3
226.06140	24.3
227.06987	77.1
227.10519	5.0
228.07709	9.9
229.04926	5.9
229.08563	7.8
231.06503	10.3
237.05434	6.9
237.09058	6.8
239.06969	8.8
240.07637	3.6
241.08554	42.0
243.10352	4.1
251.10738	4.0
253.08582	12.6
254.05611	3.8
255.10123	4.8
265.08630	6.9
269.08057	66.2
281.11746	6.2
283.09760	4.6
337.17929	7.1
338.18262	6.5
339.19443	46.1
353.21069	69.0
355.22684	4.0
357.20776	3.8
363.19543	18.9
381.20526	100.0
382.20837	5.0
391.57565	3.3
399.30878	26.2
399.37900	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	399.1646
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10518	0.5
53.03931	1.5
55.01852	0.7
55.05483	0.7
57.03431	6.4
61.02919	3.0
69.03422	9.7
70.06568	2.6
70.26501	2.2
71.01344	0.8
71.04975	1.5
72.08141	1.5
73.02907	1.6
75.04464	1.1
75.20512	0.5
81.03410	4.9
81.07046	0.4
83.01311	0.5
84.04492	0.6
84.08122	1.0
85.02895	27.5
85.67829	0.4
86.09688	1.5
87.04456	1.5
91.03954	1.2
91.05462	0.8
97.02877	9.7
97.03501	0.7
99.04428	2.6
99.77381	0.4
102.04639	0.7
102.05533	0.5
103.03978	2.8
103.05455	45.8
104.05814	0.6
105.07016	0.9
109.02868	4.7
115.03939	0.7
115.05467	0.7
117.05453	1.9
117.71312	0.5
123.04457	0.5
127.03904	9.0
129.10211	0.8
130.04138	1.6
131.04912	100.0
132.04420	1.7
132.05264	2.1
133.04779	1.2
133.06441	1.2
136.06187	1.5
136.71843	0.5
145.04929	4.9
148.05171	14.2
160.05193	0.7
160.99156	0.5
161.05951	4.5
162.06731	1.2
163.07523	58.9
164.07880	1.6
175.07547	1.6
179.03358	0.5
189.09164	0.9
201.07443	0.8
201.09123	2.1
219.10269	0.9
237.11221	4.6
240.97989	0.5
250.09320	1.2
284.34671	0.5
296.75623	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.212
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57732	1.1
53.03918	1.1
55.01865	3.4
55.05491	3.5
56.05026	6.8
57.03427	1.5
67.05505	6.2
69.03410	4.8
69.07053	6.1
70.06573	5.8
70.95494	2.7
70.95859	1.9
71.04977	2.1
71.08624	2.4
72.08140	1.7
79.05473	9.8
81.03419	1.7
81.07047	19.1
83.04978	8.1
83.06093	18.6
83.08610	3.3
84.04490	98.7
84.08122	3.0
85.02904	4.8
85.06546	2.7
86.09690	4.8
91.05461	8.0
93.07021	23.5
95.04962	8.7
95.08583	10.5
97.02873	4.5
97.06500	9.3
99.04427	2.9
101.06072	1.4
101.07127	16.8
102.05525	14.2
103.05437	1.3
105.07014	16.9
107.04921	3.4
107.08571	13.3
109.02860	2.1
109.06493	10.0
109.10124	6.7
111.04408	2.0
111.08064	4.0
115.05440	1.2
117.07013	3.9
119.04935	1.3
119.08563	9.1
120.04465	4.6
120.08036	1.3
121.06490	21.2
121.10143	2.7
123.08070	4.2
123.11719	1.7
125.05957	6.2
127.03901	2.9
127.07542	3.2
129.05588	2.5
129.06566	35.4
129.10196	1.5
130.04984	100.0
131.05315	1.5
131.08528	4.0
133.06430	2.0
133.10100	7.3
135.08034	12.3
135.11717	1.7
136.06197	5.4
137.05989	3.1
137.09592	1.5
139.07513	10.3
142.07744	1.6
143.07048	3.1
143.08562	3.7
145.06479	1.6
145.10098	5.0
147.04390	2.6
147.07613	46.1
147.11656	16.1
148.06105	1.5
149.09570	1.9
149.13248	4.1
152.07043	2.9
153.01817	9.5
156.09273	2.0
157.08658	2.5
157.10123	6.6
159.08051	1.7
159.11684	1.7
161.09628	2.9
161.13235	3.9
163.11162	1.3
163.14784	3.1
165.01830	1.2
165.12720	5.8
165.55219	1.1
171.07881	1.0
171.11682	4.5
173.09639	2.5
173.13300	2.9
175.07458	1.3
175.11150	9.9
189.05440	2.0
189.12697	10.1
191.14229	7.9
193.12221	8.8
199.11195	7.9
201.05336	1.2
201.16280	1.3
207.13817	2.3
209.15341	5.0
217.12216	24.2
218.12633	1.3
219.13779	2.1
226.18048	4.0
234.14799	3.2
235.13260	9.9
243.13377	3.2
250.09280	6.7
252.15935	8.7
253.14279	5.4
269.04544	2.1
270.05194	2.3
270.16995	10.4
271.05811	1.6
294.17245	1.4
298.09613	1.6
299.05548	1.5
310.20108	2.6
311.19632	1.3
318.16769	5.1
336.17841	5.6
337.21164	3.4
338.19620	2.1
345.18002	1.9
346.16379	2.3
354.19070	3.1
355.08084	42.2
355.22287	3.3
356.08490	2.9
363.19046	5.9
364.17468	3.7
381.09619	1.9
381.20209	11.7
382.18854	4.0
399.10568	23.2
399.21307	21.8
400.11145	2.4
400.21326	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.144
Annotation	S-Adenosyl-L-methionine
Peak:m/z	Relative Intensity
55.01862	2.1
56.05025	16.3
56.96558	2.4
57.03427	1.8
61.01142	5.3
61.02923	1.6
64.09338	0.6
69.03419	9.9
69.98696	3.6
70.06583	4.5
70.98067	0.6
71.08628	0.7
73.02907	2.3
74.02435	3.9
74.06072	4.3
75.02692	1.8
81.03387	1.4
82.06669	0.6
84.04491	2.3
84.08125	1.4
85.02888	7.0
86.09676	3.0
96.87032	0.6
97.02878	72.7
98.03195	1.1
98.97590	2.8
99.04438	0.8
101.06010	0.6
102.05528	30.2
109.02855	0.9
110.07169	1.5
110.97594	0.8
114.89301	1.0
115.03934	0.7
116.98605	2.3
119.01876	2.7
127.03922	3.3
128.98575	1.3
131.00114	1.4
131.52068	0.7
132.10207	1.4
134.99641	0.8
135.05382	0.9
135.17899	0.7
136.06166	100.0
145.03192	2.5
145.04938	1.3
146.99684	1.1
148.06207	1.0
149.01233	1.9
149.06897	0.8
152.05685	3.9
152.06790	0.8
154.94168	1.6
156.03593	3.1
159.77406	0.7
162.07748	0.8
163.04228	2.3
164.07074	0.9
165.00668	0.9
168.01807	2.5
172.95193	2.3
175.02620	0.7
177.00751	1.5
177.02382	2.4
188.96910	0.7
189.00789	0.8
190.96262	2.1
190.98618	1.5
198.02812	0.8
205.00267	0.8
213.03474	0.8
219.01674	2.3
219.03508	2.2
219.07178	1.1
220.99562	0.7
223.01198	0.8
226.02318	0.8
228.03816	2.1
228.05730	7.9
237.02626	1.1
237.06323	0.9
247.01234	1.0
250.09322	85.7
251.09383	2.0
264.08926	5.2
268.02872	0.8
279.00357	1.1
279.05737	1.0
286.03732	3.6
286.06607	0.9
294.06012	1.2
298.09653	18.0
304.04117	1.1
309.06299	1.5
339.09210	1.1
357.10712	0.7
390.64838	0.7
399.13779	2.6
399.21838	2.2
400.14551	11.7
417.12228	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1434
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39134	1.1
55.01849	4.3
55.05479	1.7
56.05005	1.5
57.00256	1.2
57.07036	1.4
67.05500	2.3
69.07053	1.6
70.00280	1.1
70.06575	2.2
71.08612	1.8
71.62395	1.2
71.62746	1.7
72.08127	1.4
79.05473	1.5
81.07043	3.6
83.06088	8.1
84.06440	2.4
84.08131	1.4
85.10183	1.8
91.05462	2.8
93.04502	3.3
93.07024	1.7
94.04167	3.7
95.04933	1.6
95.06089	9.2
95.08592	2.5
96.06401	2.3
97.02882	2.6
102.05498	1.1
103.05450	3.5
105.07026	2.3
109.10197	1.2
110.07152	51.5
111.04403	1.5
111.05579	1.8
111.06815	2.1
111.07493	15.3
112.08729	2.1
115.05430	1.6
121.04047	1.4
121.06474	5.3
122.03619	5.4
131.04871	3.0
133.06528	2.7
136.06178	3.3
137.05957	53.8
138.06401	1.9
138.68706	1.3
142.03294	2.1
144.05740	1.8
146.03554	2.7
155.04907	3.8
156.06549	1.3
156.07663	7.3
157.07991	2.5
161.05949	12.7
165.05490	3.4
165.06921	2.4
177.05498	3.4
179.08514	1.5
183.04498	2.6
187.07500	3.0
189.06992	4.9
190.07756	5.2
191.08536	8.0
200.04675	2.2
201.07039	1.6
202.07774	3.2
205.06464	2.1
207.08047	5.8
208.08809	3.0
215.06973	10.2
218.07265	15.5
219.07991	17.6
220.08527	2.4
221.06000	2.9
229.06490	6.1
230.07225	2.2
231.08020	3.5
233.09615	3.9
234.06815	1.5
235.07489	11.4
236.02596	4.3
236.08275	5.2
237.05411	2.5
245.05817	2.0
246.06659	12.9
247.07497	18.3
248.08249	4.2
249.05327	2.5
249.08998	2.3
250.09547	5.0
251.10677	2.0
253.06401	1.6
257.05887	7.1
258.06799	3.4
259.07532	5.4
261.06250	1.7
261.09061	29.6
262.06421	1.6
262.09521	3.2
263.06940	12.1
264.07700	8.2
265.08588	2.1
267.10004	1.4
274.06204	15.8
275.06970	11.5
276.07855	3.3
277.08536	4.0
278.09344	7.4
279.10129	8.7
289.08542	42.9
290.09189	11.2
290.26758	3.1
291.06467	4.1
292.07382	2.4
293.11722	3.6
295.09546	3.4
305.07632	1.2
306.08859	12.5
307.09576	46.0
308.09967	4.0
311.31662	1.4
315.06519	3.0
321.11160	100.0
322.11496	5.6
335.28815	5.6
339.12222	15.2
353.29880	4.4
357.68991	1.4
368.61365	1.4
381.29285	5.1
398.30099	5.6
399.10379	5.4
399.30417	69.2
400.10492	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.0995
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	1.9
57.07071	1.9
67.05507	1.8
69.07071	1.4
69.42296	1.0
69.42635	10.1
70.95853	1.0
71.08620	1.5
72.93807	1.2
81.04501	1.1
81.07055	1.9
83.06087	1.5
85.10144	1.4
93.07056	1.7
95.04935	1.2
95.08602	2.0
97.02879	2.0
98.20760	2.1
101.05968	1.7
105.07001	1.1
107.08547	1.3
109.10068	1.1
110.07154	6.5
111.04399	1.5
115.05482	1.2
129.05486	1.5
133.10104	1.3
136.06190	2.5
147.06546	2.2
159.08055	1.1
171.08128	1.5
183.08136	1.3
195.07980	2.0
197.09639	3.3
199.11172	3.4
207.06427	1.2
209.09619	1.0
212.33566	1.0
213.09111	2.2
220.99013	2.8
223.07628	1.1
225.09041	7.6
227.10614	6.7
227.21309	1.4
235.00508	1.8
241.08434	1.6
244.99121	1.1
248.98465	2.0
250.09358	2.3
251.00108	1.6
260.98404	1.8
262.99969	3.2
263.71609	1.1
266.99454	1.3
274.99994	2.4
275.97183	1.4
277.01428	2.0
278.99442	7.2
280.00290	1.2
281.01169	3.1
283.00644	1.2
284.98416	3.4
289.01642	1.5
291.03156	1.5
293.01117	2.4
297.01855	1.5
299.03278	1.1
300.00696	2.0
301.01434	2.8
303.02975	2.0
305.04532	1.0
312.86057	1.1
313.01529	3.3
313.98624	2.6
314.99738	1.3
315.02991	5.0
317.01309	1.3
317.04605	5.7
319.02606	1.9
326.99161	1.2
329.01080	2.5
331.02631	7.5
332.61423	1.0
333.04150	22.1
334.04236	1.7
335.01770	1.6
335.05750	32.5
337.03629	1.7
345.00388	1.6
347.02063	3.4
349.03622	10.6
349.53717	1.0
351.05334	3.3
353.06839	13.8
356.05695	1.5
358.07303	100.0
359.07605	4.2
372.05072	2.2
374.06802	1.9
376.08356	17.6
398.30099	2.8
399.10065	24.2
399.30954	4.4
400.10239	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.0592
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26266	1.8
56.05022	10.8
56.96289	3.7
56.96553	54.9
57.07040	3.6
61.01128	3.1
65.94402	1.7
66.74923	1.8
69.03399	7.1
70.06571	11.3
70.68244	2.0
71.08607	4.0
71.13384	5.1
71.95239	2.0
74.02442	3.0
74.06039	5.9
75.02681	2.2
80.16981	1.8
84.04472	2.4
84.08103	5.6
84.96023	17.0
85.02882	5.5
85.10155	2.6
97.02872	52.5
98.96912	4.3
98.97564	85.8
101.05981	2.8
102.05535	21.6
102.97041	3.7
110.97546	14.3
116.98602	75.8
119.01901	4.2
127.03883	2.9
128.98587	28.5
129.05464	4.2
131.00131	8.1
134.99641	55.7
136.06168	53.9
140.98532	3.2
143.00160	12.5
144.98068	4.8
146.99632	33.8
147.06476	3.9
149.01224	8.6
152.98573	2.2
153.00668	7.2
158.99631	13.3
161.01196	45.1
161.02917	4.2
162.99089	6.6
163.04190	2.6
165.00682	4.7
169.01727	5.3
170.99622	9.3
173.01231	2.7
176.98561	2.3
176.99232	2.1
177.00708	18.2
179.02232	16.7
182.99585	2.8
187.02762	5.6
189.00687	10.6
193.52840	2.4
194.99651	9.1
195.01718	6.0
199.99948	2.2
201.00616	11.8
207.01622	2.8
213.00659	76.6
213.02675	4.5
218.99834	2.5
219.01707	47.5
231.01729	65.3
236.02271	5.4
237.00708	2.9
237.02760	76.7
242.03299	4.1
250.09312	68.0
255.01640	5.9
255.03845	7.4
260.04446	3.7
261.02814	2.5
264.08997	3.1
267.01556	3.7
273.00409	2.4
273.02924	4.0
279.01440	3.3
279.03894	5.7
281.03293	3.6
285.02792	3.9
291.01666	12.8
297.02737	2.7
298.09503	9.5
309.02802	3.1
321.02609	6.7
339.03656	22.7
357.04831	44.3
368.56900	2.2
375.05887	9.3
380.06845	2.5
399.05896	100.0
399.22055	4.5
400.06232	5.0
417.06906	20.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.3006
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	2.1
56.05025	1.3
57.07071	0.9
59.04995	1.1
61.02912	1.3
66.17823	0.4
67.05488	3.1
68.05003	0.9
69.07060	2.2
69.48125	1.4
69.48547	2.4
70.06569	1.1
71.04988	1.9
72.08147	0.6
79.05490	0.8
80.05009	0.9
81.04544	1.0
81.07050	3.3
82.05305	1.1
83.06089	11.6
83.08611	1.3
84.08133	0.5
86.09692	0.8
93.04514	7.1
93.07032	0.6
94.06554	0.5
95.06077	14.2
95.08585	3.1
97.02863	0.9
97.10152	0.5
98.21484	0.8
102.05526	0.4
107.06062	4.6
107.08647	0.5
108.06828	0.4
109.07582	0.5
109.10147	0.9
110.07147	96.5
111.05518	1.9
111.07494	1.5
112.08710	2.9
113.82765	0.4
119.06068	1.2
119.08636	0.4
120.06824	0.8
120.08070	0.4
121.07622	2.3
123.71346	0.3
131.39410	0.4
136.06123	0.8
139.04979	0.6
142.33099	0.4
156.07664	15.2
157.08025	0.5
162.31964	0.4
166.06052	0.6
211.56042	0.4
221.44810	0.4
250.09293	0.9
254.22627	0.4
273.71860	0.3
275.24777	37.3
276.25012	1.9
276.69354	0.4
278.83191	0.4
302.25812	4.0
303.17477	0.4
305.25833	0.7
320.26913	7.3
331.23654	1.0
348.26422	2.4
352.29547	3.3
366.27460	10.4
367.27740	1.0
378.03909	0.4
380.29120	2.9
398.30087	100.0
399.30441	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	398.3007
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	1.3
56.05022	1.2
60.03816	0.4
67.05486	1.9
68.05006	0.9
69.07051	1.4
70.06580	0.5
70.70014	1.1
72.08138	0.3
81.04533	1.1
81.07032	2.2
82.05302	0.9
83.06087	12.9
83.08615	1.0
84.08136	0.6
91.05463	0.5
93.04514	7.6
93.07068	0.5
95.06076	13.9
95.08571	2.5
97.02864	0.4
97.07617	0.4
105.06966	0.4
107.06045	0.6
109.10125	0.9
110.07144	100.0
111.05523	1.9
111.07489	1.5
112.08705	3.4
121.03896	0.4
121.06522	0.7
137.05965	0.8
139.05055	0.5
156.07660	16.6
239.27074	0.4
250.09528	0.5
261.09113	0.5
289.08548	0.7
289.26270	5.2
305.76190	0.4
307.09552	0.6
315.06519	0.8
316.27567	1.1
319.27454	0.5
321.11234	1.3
334.28433	7.9
336.30115	0.9
352.29510	10.1
353.28030	0.5
354.31018	1.0
380.28986	8.8
398.30057	99.4
399.30353	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	398.232
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	0.2
55.05499	0.4
57.82238	0.2
64.75123	0.2
64.87392	0.2
66.02030	0.2
67.05495	1.6
69.03408	0.5
69.07050	0.5
69.43271	1.6
79.05472	1.8
81.07038	0.8
83.04971	0.4
85.06548	0.2
91.05467	4.1
93.07030	2.0
95.04945	0.3
95.08574	0.5
98.06007	0.2
99.05111	0.2
103.05428	1.0
105.03397	0.2
105.06376	0.2
105.07018	3.3
107.04945	0.7
107.08569	0.7
109.10119	0.3
115.05410	0.5
115.90786	0.2
116.06256	0.3
117.07001	3.8
119.08544	1.1
119.87224	0.2
120.69171	0.2
121.06499	1.0
121.10102	0.3
123.04440	0.2
128.06194	0.5
129.06966	0.5
130.07761	1.0
131.04893	0.5
131.08540	0.4
135.04396	0.6
135.07964	0.2
135.11653	0.2
137.44162	0.2
143.08527	0.7
144.05688	0.2
145.06407	0.6
145.10101	5.1
147.07904	0.3
149.05956	2.0
153.06920	0.3
155.08514	1.8
162.06735	0.6
163.11159	2.6
173.09599	11.9
174.10007	0.4
191.10640	100.0
192.10983	4.0
193.11047	0.2
203.03255	0.2
209.11638	0.2
216.04073	0.2
221.15401	0.2
222.15759	0.4
232.13326	0.4
242.21255	0.3
381.20642	0.3
398.23514	0.2
398.29636	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.2168
Annotation	Symphytine oxide
Peak:m/z	Relative Intensity
53.03946	0.3
56.05028	0.5
57.03431	0.3
61.02913	0.6
68.05012	0.5
69.03419	1.9
70.06583	90.0
70.74613	0.6
71.04980	0.5
71.06909	2.0
73.02910	0.6
79.05474	0.5
81.03409	0.5
81.07057	0.7
84.08115	0.5
85.02895	3.3
86.09693	0.5
87.04468	0.5
96.08117	1.0
97.02866	1.8
101.96687	0.3
107.04940	23.7
108.05295	0.4
109.02885	0.5
110.07147	0.4
112.11244	1.0
121.06476	0.5
124.11187	0.8
127.03881	0.7
133.06479	4.8
136.06235	0.6
145.06461	1.0
147.08035	0.5
147.09915	0.3
159.08028	1.3
218.15370	28.2
219.15697	1.5
236.16414	5.7
250.09338	0.8
260.16412	0.5
265.91904	0.4
380.20642	4.1
381.20941	0.3
398.21671	100.0
399.22018	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	398.2016
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	4.7
55.05494	2.6
56.39373	1.4
57.03424	20.1
58.06587	4.9
59.04985	4.1
60.04522	1.7
61.02910	4.3
67.05483	4.1
69.03419	78.4
69.06713	2.7
69.07057	28.9
70.06578	30.0
70.56168	1.6
71.01331	1.9
71.04980	4.1
71.62360	1.5
72.08140	7.3
73.02921	4.0
75.04460	4.7
79.05482	2.9
81.03403	5.6
81.07049	7.1
82.07394	1.8
84.04509	4.3
84.08109	8.2
85.02894	82.3
85.06545	1.9
86.09687	12.6
87.04456	55.7
91.03928	3.9
91.05450	3.4
93.07024	4.8
95.04940	2.9
95.08608	2.8
97.02876	69.8
98.29336	1.6
99.04419	4.6
102.05547	3.4
102.58993	1.7
103.03942	1.7
103.05447	6.8
105.01845	1.7
105.07013	2.7
107.08605	3.5
109.02866	6.3
109.06493	2.5
109.10139	2.8
110.07155	4.8
111.08067	13.4
115.03914	91.9
116.04258	2.1
116.07066	2.5
119.08575	3.6
120.08093	4.8
121.06468	2.2
121.10156	1.4
123.08077	2.9
127.03894	24.0
129.10216	5.9
131.04915	12.9
131.08583	1.5
132.04425	1.4
133.04944	100.0
133.10092	1.6
135.08076	5.2
136.06169	4.6
136.07558	3.2
136.08446	1.7
145.04932	36.8
145.05983	2.9
147.08118	2.4
149.35539	1.8
150.07570	14.4
153.09056	4.1
161.04564	1.4
161.05925	1.6
163.06010	20.6
163.07535	9.1
164.10797	1.4
165.09103	2.8
169.04962	3.0
169.13304	2.4
173.11711	1.6
176.56282	1.5
179.03380	7.7
183.10147	4.5
183.14806	2.1
189.10999	2.0
193.05115	1.9
195.10062	2.4
201.11235	6.4
211.14384	2.1
213.11240	1.8
219.12218	4.0
231.12175	3.2
233.08423	1.6
241.07028	3.0
250.09341	8.8
259.08072	5.2
277.09204	4.3
286.17502	2.5
295.10181	11.3
395.00266	1.8
398.00769	2.5
398.13812	2.4
398.19324	1.6
399.00098	5.5
399.25974	2.7
412.24771	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.3303
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60236	4.9
54.14141	4.3
55.01844	4.4
55.05260	7.6
55.05503	100.0
57.07055	10.8
65.77760	5.0
66.85156	3.7
67.05501	42.6
69.07051	18.0
70.06570	4.7
71.04961	6.0
71.38027	4.3
71.58128	8.3
79.05467	12.1
81.07044	65.6
82.81616	4.0
83.04953	7.3
83.08134	6.8
83.08603	82.2
85.06503	4.5
85.66745	4.4
87.04463	6.1
91.05462	12.2
93.07021	19.3
95.08585	62.1
97.06528	5.1
97.10130	9.8
100.91569	4.4
101.29096	4.3
105.07012	7.8
107.08563	17.1
109.10136	37.2
115.08642	5.2
119.08546	8.5
121.10133	15.4
123.11674	15.1
131.08600	6.5
133.10129	7.6
135.11615	12.0
137.13249	8.6
141.38597	4.7
147.11707	6.5
149.13199	5.3
155.65024	4.6
161.13213	7.4
165.12720	9.0
169.08669	4.2
173.11766	6.0
173.13199	5.7
178.56870	4.3
179.14253	5.0
243.21092	9.7
261.22147	15.5
279.23123	75.2
280.23495	5.7
292.80222	5.6
297.24164	23.6
335.29581	5.5
352.32135	12.4
397.22485	6.0
398.38071	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	398.2013
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18943	1.0
53.03933	3.8
57.03424	2.7
57.84727	1.0
69.03420	11.3
69.31059	12.8
70.06577	6.3
71.04964	3.2
72.08148	1.5
73.02916	2.6
73.36385	1.0
81.03403	11.7
84.04489	1.3
84.08125	2.5
85.02888	68.9
86.03207	1.3
86.09686	3.2
97.02872	21.6
98.21509	2.3
99.04432	39.5
100.37498	1.0
101.07068	1.2
103.03924	89.0
109.02861	14.3
114.76025	1.0
115.03938	1.5
116.07049	1.4
124.96091	1.0
127.03893	100.0
128.04204	2.4
136.06158	1.9
145.04932	63.2
159.09152	1.6
163.05988	60.4
180.12791	1.2
187.05991	5.0
205.07066	2.8
211.07426	1.1
253.07022	1.3
271.08093	8.6
289.09137	8.4
307.10181	12.0
347.97437	1.1
352.65674	1.1
363.16342	4.1
374.97842	2.1
378.09482	1.1
382.17770	1.1
392.98517	1.1
398.17734	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	396.3313
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05491	3.0
57.07066	27.5
67.05493	2.0
69.07046	2.2
69.42909	9.1
70.06563	2.3
71.08620	29.5
73.06548	6.2
79.05482	1.9
81.07024	3.4
83.08579	5.8
85.10167	27.0
87.04432	4.0
89.06018	100.0
91.05460	2.0
93.07019	1.8
95.08592	2.6
97.10150	2.2
98.21440	1.6
99.11715	2.8
104.07095	1.3
107.07034	3.2
107.08537	1.3
117.09086	2.9
120.08301	1.0
121.10146	0.9
130.08601	3.0
131.08511	1.2
133.08582	49.6
141.16345	4.2
145.10107	1.7
151.09607	4.4
168.07996	1.4
173.09474	1.3
177.11192	14.1
185.18990	3.6
189.09055	1.5
191.10634	16.3
195.12234	2.6
216.52574	1.0
221.13959	1.2
226.21553	2.3
229.21573	8.5
239.14861	29.9
240.15411	1.2
273.24188	3.8
310.25345	4.8
335.27945	1.8
379.30469	50.9
380.30920	2.1
396.28751	11.0
396.34256	4.0
397.14813	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1824
Annotation	Unknow
Peak:m/z	Relative Intensity
61.35256	0.7
70.06580	17.8
70.78842	1.3
70.79211	1.3
71.06910	3.8
84.08163	0.7
85.02912	1.2
89.46952	0.8
110.07112	1.3
131.19913	0.8
136.06168	100.0
137.06497	1.1
213.12173	1.0
268.10367	35.3
269.10501	1.1
276.99847	1.0
281.13513	0.8
370.24689	1.0
397.20349	6.8
398.21414	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.2011
Annotation	Ruwenine
Peak:m/z	Relative Intensity
68.05017	0.7
70.06582	100.0
70.21698	0.9
71.06904	0.8
75.48466	0.2
107.04968	0.5
117.29745	0.2
146.49182	0.2
234.14740	0.4
396.20120	29.9
397.20493	1.5
403.77814	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.2011
Annotation	Ruwenine
Peak:m/z	Relative Intensity
60.53191	0.2
62.85198	0.2
68.05009	0.5
70.06580	100.0
71.06917	0.7
71.61597	0.2
85.02908	0.3
107.04958	0.3
107.74177	0.2
109.94978	0.2
112.89583	0.8
114.89355	0.2
127.83497	0.2
142.20366	0.2
160.15724	0.2
188.01486	0.2
216.92900	0.2
216.94884	0.4
234.14880	0.4
248.89636	0.5
363.55475	0.2
396.20114	33.1
397.07153	0.2
397.20532	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.2895
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92664	0.3
55.05454	0.6
57.07032	0.5
67.05439	1.2
68.65418	0.3
69.03373	0.6
69.07030	0.8
70.06541	0.7
70.07455	1.5
74.44048	0.3
79.05421	1.2
81.03375	0.4
81.06985	1.3
82.07346	0.3
87.04453	14.6
87.09822	0.3
87.33011	0.3
88.04736	0.4
91.05480	1.6
93.06961	1.5
95.04890	0.5
95.08527	1.4
97.02863	0.3
98.05968	0.6
99.04397	0.5
105.06953	0.9
105.21970	0.4
107.08511	0.7
107.22999	0.4
109.06467	0.7
119.08524	0.7
121.10073	0.7
122.10409	0.4
123.07993	1.0
131.08568	0.4
133.10100	0.5
147.11589	0.5
168.08061	17.5
169.08539	1.1
170.09552	1.1
173.33789	0.3
179.14249	1.6
180.14610	2.0
182.09602	2.5
209.08525	0.4
254.11771	0.9
299.60791	0.4
304.23376	1.0
310.25226	60.0
311.25507	3.8
352.31027	0.3
358.87772	0.4
396.28894	100.0
397.29266	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.2422
Annotation	Arthrobotrisin A
Peak:m/z	Relative Intensity
53.03942	5.3
55.01850	7.4
55.05499	20.2
57.03428	10.3
57.07060	5.4
66.82320	2.2
67.05489	55.5
69.03423	20.3
69.07059	17.7
70.93590	5.4
70.93956	2.4
71.01332	2.8
71.04967	8.6
73.02894	4.8
75.35809	2.3
75.62419	2.1
79.05059	2.5
79.05483	45.2
81.03402	25.2
81.07045	100.0
82.07375	2.4
83.04982	9.9
83.06093	2.5
83.08601	9.2
85.02911	10.0
87.04451	2.6
91.05474	36.8
93.07031	51.6
95.04956	15.0
95.06012	1.9
95.08584	35.2
97.02886	9.9
97.06509	8.6
97.10165	4.3
99.04427	4.5
99.08099	5.1
103.03908	2.9
105.06371	3.2
105.07011	35.2
107.04922	5.9
107.08570	27.5
109.02856	4.3
109.06493	8.7
109.10159	20.3
110.07151	6.0
111.04414	4.7
111.08067	4.2
116.06164	2.4
117.07011	16.5
119.08557	29.8
121.06483	8.0
121.10123	27.3
123.04309	2.1
123.08041	7.0
123.11687	6.4
125.09586	3.2
127.03850	5.4
129.05511	2.5
129.06979	9.2
130.08638	2.6
131.08543	23.0
133.06461	3.5
133.10129	23.5
135.08054	7.4
135.11673	18.1
137.05948	3.7
137.09599	6.2
141.06935	3.0
143.08487	11.0
145.08531	3.8
145.10126	20.2
147.08023	3.5
147.11659	20.4
149.09616	10.0
149.13214	12.9
151.07498	3.7
153.06990	2.3
155.08492	3.4
157.10110	10.6
159.08020	4.6
159.11662	17.9
161.09602	6.7
161.13225	7.3
163.11151	7.4
165.09068	2.4
167.06898	2.8
167.08525	2.7
169.10075	6.6
171.11655	10.7
173.09592	2.8
173.11899	2.3
173.13190	11.6
175.11069	3.0
175.14813	3.2
177.12740	4.1
179.14297	2.9
181.10103	3.8
183.08012	2.4
183.10141	2.5
183.11615	4.9
185.13222	3.9
187.11183	4.4
187.14809	5.1
189.12723	5.3
193.12209	3.4
195.11890	2.0
195.13799	5.2
197.13165	3.6
199.11226	2.5
199.14880	2.7
201.12714	2.9
203.10556	2.9
203.17915	2.3
211.14857	2.7
213.16345	6.5
215.14308	3.0
215.17891	9.8
217.12163	2.9
227.17838	4.5
229.19478	3.4
231.17435	8.5
233.18956	8.6
243.17575	2.2
245.18921	3.3
247.20470	3.3
249.18471	4.8
251.20030	2.8
257.19037	2.8
261.18445	3.6
263.20087	3.0
273.18417	2.5
275.20020	9.8
287.20044	2.9
291.19391	3.6
303.19537	2.8
303.23038	3.2
313.21390	3.4
317.20892	2.4
323.20117	5.2
341.21045	17.0
349.30438	4.1
357.67621	2.1
359.22058	23.7
377.23203	27.6
395.24271	42.8
395.29260	7.0
395.34268	3.1
396.24707	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.2424
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	6.4
54.31440	3.5
55.01872	4.5
55.05502	20.3
56.09085	4.3
57.03423	10.1
57.07068	5.3
58.59983	3.7
67.05490	63.5
69.03431	19.9
69.07063	18.9
70.06583	6.0
71.04995	9.0
71.63054	7.6
71.63419	4.4
73.02941	4.1
79.05482	58.3
81.03402	31.1
81.07047	100.0
83.04967	9.5
83.06077	8.1
83.08606	12.4
85.02882	11.5
85.06541	5.1
91.05465	41.4
93.04503	5.7
93.07029	67.0
95.04951	14.7
95.06068	12.2
95.08578	40.0
97.02863	9.0
97.06522	6.8
97.10193	4.4
99.04445	9.3
99.08050	6.2
100.34525	4.1
105.07027	44.8
107.04895	7.0
107.08578	24.7
109.06496	13.9
109.10120	21.0
110.07153	43.8
111.04400	6.9
111.07448	5.9
111.08101	5.6
117.07007	21.7
119.08547	37.0
121.06485	8.2
121.10117	34.9
123.11652	5.4
127.03913	7.1
129.06963	12.5
131.08559	29.0
133.06433	3.8
133.10112	37.3
135.08054	8.9
135.11687	17.5
137.06044	4.1
139.88043	4.1
141.07042	5.7
143.08534	13.6
144.08020	7.8
145.06439	5.0
145.08553	4.1
145.10078	22.2
147.07988	7.8
147.11653	25.1
149.09627	9.4
149.13223	12.2
155.08548	6.3
157.10085	11.4
159.11678	23.7
161.13280	8.1
163.11154	6.2
165.09155	5.5
169.10150	5.9
171.07825	7.3
171.11652	12.3
173.09598	4.7
173.13234	8.8
175.11081	6.2
177.12697	4.4
183.11691	6.0
185.13191	7.0
189.12788	4.8
197.02417	4.0
199.14960	4.2
204.91148	3.8
213.16394	12.0
215.17918	11.7
221.95628	4.8
229.19589	4.2
231.17403	10.5
233.19012	13.1
245.19012	6.1
249.18518	7.1
263.20142	4.7
275.20132	15.1
304.28162	8.3
313.21460	4.7
323.20047	9.8
331.29343	5.2
341.21072	19.6
349.30435	18.6
359.22113	17.4
377.23154	32.9
395.24261	41.6
395.30780	85.7
418.46518	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	395.2423
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	5.4
55.01855	6.2
55.05503	30.1
57.03423	13.0
57.07065	5.7
65.03914	4.9
67.05492	83.7
69.03415	31.1
69.07066	31.2
70.06572	6.0
71.01347	4.2
71.04978	11.8
71.31015	7.6
73.02899	3.2
79.05477	72.2
81.03410	54.5
81.07043	100.0
83.04961	15.2
83.06076	8.1
83.08598	16.0
85.02882	17.7
85.06533	4.3
87.04432	3.9
91.05461	61.8
93.07022	87.3
95.04948	21.4
95.06096	5.3
95.08597	49.8
97.02883	15.1
97.06509	8.4
99.04430	8.6
99.08086	5.4
103.03905	5.0
103.05437	4.8
105.07011	52.1
107.04983	8.1
107.08548	39.6
109.02803	6.5
109.06496	16.5
109.10136	31.7
110.07171	23.7
110.07813	4.9
111.04409	9.2
111.07436	4.8
111.08098	5.4
115.05457	3.9
117.06990	33.6
119.08560	48.2
121.06477	10.9
121.10123	48.2
123.08031	6.5
123.11697	6.9
125.09563	4.6
127.03889	5.8
128.06180	5.2
129.07016	21.4
131.08546	38.4
133.06490	6.6
133.10101	43.0
135.08026	12.8
135.11674	26.2
137.05888	4.4
137.09595	7.7
141.06937	8.0
142.07835	3.6
143.08554	17.3
145.06465	5.9
145.08931	6.0
145.10071	39.6
147.07997	7.2
147.11671	36.1
149.09584	13.0
149.13219	18.6
151.07529	5.6
151.11125	4.4
155.08530	12.4
157.10098	15.8
159.11655	30.2
161.09567	10.4
161.13237	12.9
163.11125	8.4
165.09052	5.8
167.08484	4.1
169.10057	8.3
171.07883	4.0
171.11667	23.1
173.09715	3.7
173.13211	16.9
175.11115	9.2
177.12665	6.2
183.11699	11.7
185.09541	5.1
185.13226	9.3
186.17099	3.7
187.11072	8.0
187.14726	4.9
189.12689	3.8
193.10005	3.6
195.11572	3.5
197.13193	7.9
199.11115	6.2
199.14796	6.9
201.12683	4.2
203.17909	7.1
209.13321	4.9
211.14836	4.2
213.16353	15.3
215.17929	14.6
225.12708	7.0
229.19341	4.1
231.17438	14.7
233.18930	19.5
243.13837	5.6
245.19119	5.2
249.18466	8.3
257.18854	3.9
261.18515	4.0
263.19995	7.3
269.18814	4.4
273.18222	3.8
275.20047	22.1
276.20218	3.6
287.20081	6.1
291.19360	7.0
299.19852	3.6
304.28217	7.8
313.21445	4.5
317.21167	4.7
323.19968	9.4
329.21033	4.8
331.22321	3.8
341.21042	36.0
349.30328	11.3
359.22067	31.5
377.23184	46.5
395.24280	35.3
395.30695	55.9
405.39706	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	395.1905
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56718	1.9
53.03920	7.3
55.01848	6.7
55.05501	14.4
57.03418	7.4
57.07060	20.6
59.04975	2.1
61.02902	8.0
67.05482	5.6
69.03067	3.3
69.03418	44.1
69.07054	76.7
69.41885	17.7
70.06583	13.4
71.04986	10.6
71.08615	18.1
72.08142	6.6
73.02893	3.1
73.06550	14.5
79.05484	4.5
81.03405	28.6
81.07040	4.4
83.04964	2.6
83.08613	5.2
84.04482	3.4
84.08112	10.0
85.02889	89.2
85.06516	2.4
85.10152	7.9
86.09680	9.2
87.00814	47.0
87.04507	2.2
91.05469	4.9
93.07021	4.0
95.04940	2.9
95.08597	4.4
97.02882	31.6
97.06494	2.6
98.20810	4.9
99.04429	21.2
103.03880	10.3
105.01855	45.9
105.07025	7.0
107.08582	3.7
109.02869	30.2
109.06486	2.7
109.10131	3.5
110.07117	2.4
111.11697	67.8
117.06982	3.2
119.08574	4.5
120.08044	6.5
121.08482	2.6
123.11669	2.4
127.02946	3.9
127.03890	74.0
127.11144	4.4
129.10201	4.3
129.12733	100.0
131.08525	3.2
133.10106	2.4
144.05698	2.4
145.04933	24.2
145.10141	6.2
147.13741	6.3
149.09479	2.6
159.02879	7.2
159.11601	3.0
162.38853	2.3
163.05978	5.0
187.06065	2.7
187.07578	5.0
187.11148	4.7
213.03894	4.5
215.07037	6.1
215.10602	5.1
217.08615	1.9
231.04988	42.0
238.10309	2.5
272.09058	6.3
274.10687	4.6
318.09604	7.6
341.15619	3.0
359.16913	3.3
395.16483	8.1
400.86081	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	395.2422
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	5.2
55.01854	7.8
55.05258	1.9
55.05501	24.1
57.03418	2.7
57.07064	1.9
65.03922	1.2
67.05492	41.7
69.03420	16.8
69.07050	7.8
69.31702	11.2
71.01324	4.6
71.04974	6.4
73.02907	2.1
79.05478	92.6
80.05820	1.3
81.03402	18.9
81.06565	2.1
81.07040	44.4
83.04966	3.0
83.08606	8.9
85.02885	4.9
85.06505	1.7
91.05464	34.6
93.07026	98.4
94.07330	1.8
95.04971	5.8
95.08588	33.8
97.02878	61.0
97.06511	3.6
97.10169	1.7
99.04436	21.1
99.08067	6.8
101.02366	2.4
102.31464	1.0
103.05424	1.5
105.07009	25.6
107.04958	1.4
107.08576	19.8
109.02862	12.2
109.06497	3.2
109.10132	15.9
111.04447	1.3
111.08093	2.4
113.09626	5.0
117.07005	8.7
119.07771	2.0
119.08559	23.1
121.06460	1.2
121.10121	100.0
122.10449	2.2
123.08052	5.0
123.11696	5.8
125.09592	3.0
127.03896	34.3
129.07008	3.3
130.07773	1.5
131.08537	14.6
133.06453	1.2
133.10101	22.2
135.08031	2.6
135.11678	14.2
137.06032	1.2
137.09579	3.3
139.11113	1.9
143.08519	2.9
144.09290	1.2
145.04948	6.6
145.06436	1.1
145.10109	14.0
147.11664	14.7
149.09601	8.3
149.13208	6.1
151.11163	3.1
155.08531	1.2
157.10103	3.6
159.11667	11.9
161.13257	3.6
163.11171	3.1
165.09134	1.1
171.11647	4.8
173.09622	1.7
173.13246	8.5
173.27010	1.0
175.11208	1.9
177.12730	1.3
183.11732	1.6
185.09572	1.5
185.13235	1.8
187.11168	1.7
187.14815	2.1
189.12714	2.9
189.16298	1.5
197.13333	1.2
198.57069	1.0
199.11086	2.2
201.12854	1.2
203.10577	1.4
203.17818	2.1
205.19456	1.2
213.12694	1.3
213.16315	4.8
215.17906	22.4
217.12199	4.8
227.17969	2.7
231.17380	4.4
233.18965	17.9
239.17670	1.1
241.19432	2.9
243.41725	1.0
245.19019	2.8
251.20033	2.2
257.19061	1.5
259.20569	1.9
283.20343	1.8
285.18417	2.4
301.21545	1.4
311.20023	3.7
329.21060	3.9
393.87558	1.2
395.23935	3.5
395.33511	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.0735
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.0
55.05499	5.6
56.96552	5.6
57.03446	3.6
67.05482	8.2
69.03409	7.4
69.07060	13.9
69.69776	21.8
70.06584	100.0
71.04977	5.8
71.06913	7.9
72.08162	13.8
72.08475	2.5
76.03997	4.1
79.00846	2.6
79.05489	5.3
81.03388	7.2
81.07052	8.3
84.04494	9.2
84.08141	27.8
85.02880	11.7
85.06506	4.7
86.09704	24.0
87.00810	3.6
87.79531	2.5
91.05474	17.6
92.78490	3.2
93.07029	7.5
95.04979	4.4
95.08562	5.4
97.02903	6.8
98.06063	2.9
98.97567	9.7
99.04403	6.6
103.03939	3.2
105.01816	3.2
105.07001	9.7
107.04962	12.7
109.02876	4.9
109.10120	6.5
111.11697	3.1
116.07094	15.5
116.98608	3.2
119.08591	3.9
120.08105	24.0
121.06438	6.2
121.10110	3.4
127.03902	10.4
128.06125	3.7
129.10207	12.0
129.12724	6.1
130.06503	13.3
132.08083	3.7
133.10098	3.6
135.69188	2.5
136.07527	4.4
137.05925	6.4
145.04955	5.8
145.10101	7.4
153.10135	3.0
159.09166	12.6
159.11679	5.1
160.09517	4.4
161.05937	2.8
170.05977	3.2
177.00592	2.9
187.11093	8.9
207.03247	3.0
213.12276	10.3
214.12593	4.9
215.10611	7.4
219.01723	5.1
225.04367	3.4
237.02827	10.6
238.15573	2.7
261.08578	3.0
263.12628	3.2
309.06406	7.8
323.18509	2.7
327.07416	26.9
343.10565	2.9
345.01810	3.1
395.07315	63.2
395.14841	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	394.2065
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	4.1
55.01860	6.5
55.05507	6.3
55.12970	0.9
55.87180	0.9
57.03439	5.2
57.96605	0.9
61.02922	6.1
62.31490	1.0
62.73631	0.9
64.66252	0.8
67.05495	1.9
68.99776	2.5
69.03415	33.8
69.07057	37.0
69.81349	6.1
70.06574	3.2
71.04989	6.5
72.08160	1.4
73.02898	7.7
79.05471	1.7
81.03401	23.2
81.07039	2.4
83.04990	1.2
83.08562	1.8
84.08152	1.7
85.02890	100.0
86.09686	1.8
87.00816	40.8
87.04480	1.2
88.01111	1.0
90.45335	0.9
91.03970	1.4
91.05448	1.1
93.07018	2.3
95.04971	1.4
97.02873	36.2
98.20909	1.7
99.04435	12.8
100.07584	1.1
100.11228	3.5
101.02376	1.2
105.01847	84.2
105.07004	1.1
107.04935	2.1
108.04460	2.7
108.10696	0.9
109.02863	22.0
109.10136	1.4
111.04429	1.7
111.11700	6.0
115.03923	1.3
115.30793	1.0
117.01864	1.9
123.02894	1.0
126.05516	1.5
126.67236	1.0
127.03897	78.3
128.04234	1.0
129.01796	3.1
129.70837	1.2
135.04530	0.9
145.04932	37.3
147.02853	2.9
159.02875	16.8
163.23524	1.2
168.13814	3.1
171.02917	1.1
173.02415	1.1
177.03993	1.0
182.15346	2.3
183.02921	1.1
189.03909	2.7
196.13336	3.5
199.17937	0.9
213.03923	3.0
216.04134	22.6
219.13701	1.7
230.06686	1.1
231.04648	23.4
231.06599	9.8
234.57263	1.0
237.14688	1.8
248.07677	1.5
249.06053	13.0
255.15895	1.0
257.68997	0.9
309.21500	1.4
371.04868	0.9
376.29013	1.0
377.10083	3.5
394.30475	4.1
394.34857	1.6
395.11285	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	394.2066
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	4.7
55.01856	5.2
55.05503	9.6
57.03434	5.2
57.07069	2.4
61.02911	6.3
67.05495	5.0
68.99760	2.3
69.03416	34.5
69.07056	49.1
69.73299	7.2
70.06553	2.3
71.04980	4.6
73.02909	5.6
75.81971	0.9
79.05476	2.1
80.84447	0.9
81.03404	21.8
81.07045	7.7
83.04969	1.2
83.08604	1.7
83.77694	0.9
84.08144	1.7
85.02889	100.0
86.03205	0.9
87.00815	43.6
91.03921	1.5
91.05480	1.6
93.07025	3.0
95.04921	1.9
95.08579	6.7
97.02872	38.5
97.06509	1.3
99.04437	13.9
103.03936	1.1
105.01845	91.0
105.07003	2.2
107.04895	1.5
107.08579	2.2
108.04469	2.9
109.02864	26.3
109.06505	1.3
109.10117	2.7
111.11698	8.2
115.03909	1.2
117.01862	1.5
119.08546	3.1
120.08096	11.3
121.06439	1.2
121.10103	1.5
123.04404	1.0
123.73808	1.2
126.05505	1.6
127.03894	79.6
128.04201	1.4
128.14293	1.8
129.01796	4.1
130.06528	2.9
132.08067	4.7
133.10065	2.2
135.11699	1.8
136.13724	1.0
137.13217	5.2
142.93794	0.9
145.04933	39.8
147.02863	2.5
151.11183	1.5
155.08450	1.0
159.02881	10.8
159.09140	20.5
160.09526	1.3
161.13156	4.8
166.08601	5.2
169.07567	1.3
170.05954	2.1
171.02821	1.0
177.03893	1.3
179.14287	7.1
183.09126	1.4
186.50349	1.0
187.08553	5.3
189.03906	4.0
197.15370	3.6
201.10220	12.0
202.10416	1.3
210.31799	0.9
213.03905	4.1
215.16476	1.3
229.09708	7.7
230.06410	1.6
231.04959	29.9
231.07211	2.0
232.05183	1.1
237.14740	1.5
248.07527	2.0
249.06001	18.1
320.14966	1.3
341.15646	1.5
349.54285	0.9
394.22766	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.0735
Annotation	Unknow
Peak:m/z	Relative Intensity
61.93586	1.0
70.06582	4.9
71.00829	1.0
71.06359	1.7
71.06699	1.6
71.81628	1.0
72.08119	1.1
76.03972	1.2
84.08111	4.1
85.02838	1.1
86.09693	3.5
91.05415	1.1
97.27569	1.1
105.07070	1.5
120.08133	1.4
129.10233	1.4
164.43903	1.0
197.12926	1.0
232.08130	1.0
233.01984	1.1
240.83112	1.1
251.02252	3.0
258.40176	1.1
269.03339	4.6
286.16364	1.1
287.04538	1.5
395.07324	100.0
396.07587	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	393.2992
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	3.7
55.05490	5.9
55.76952	1.7
57.07064	9.5
59.17181	1.3
67.05495	8.7
69.03419	2.0
69.07062	13.6
71.08621	5.0
71.63979	2.6
79.05467	5.7
81.07036	11.1
83.01325	6.5
83.04977	2.2
83.08603	6.4
85.72601	1.6
85.81234	1.5
89.06023	2.5
91.05430	1.4
93.07027	7.3
95.04947	5.9
95.08600	8.6
97.06512	4.6
97.10171	3.2
98.98438	3.1
105.07026	4.1
107.08591	6.9
109.06513	1.5
109.10129	3.1
111.04431	4.1
111.08064	2.7
119.08547	3.1
121.06484	1.5
121.10068	2.2
125.02330	7.9
125.06008	4.1
126.05289	1.5
127.03933	1.9
135.11702	2.9
139.03868	2.6
141.05455	9.5
145.10086	1.7
149.09746	2.2
149.13252	6.3
153.05434	9.3
155.01007	4.2
159.11755	2.0
167.14485	2.4
177.12753	3.0
177.16383	1.8
179.10574	1.5
179.14377	2.1
181.15794	1.9
187.14499	1.5
195.10271	2.7
195.12167	3.1
195.13875	4.9
197.15280	3.8
205.15829	3.2
213.14827	4.9
223.13316	5.5
239.16383	21.4
251.16385	81.5
252.16864	1.9
265.17984	2.3
349.27313	100.0
350.27664	3.1
376.25839	3.2
382.71042	1.8
393.29971	66.6
393.38889	4.3
394.30377	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	394.1969
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	0.8
67.05485	1.1
69.03420	1.2
69.07055	2.4
70.02955	1.2
70.06586	4.6
71.04988	1.1
71.63036	0.6
72.08145	1.3
73.02908	4.6
74.00656	0.6
79.05476	1.3
81.03397	1.1
81.07032	2.3
83.04945	0.5
84.04489	1.0
84.08125	3.7
85.02894	1.7
85.04021	1.6
85.06527	0.5
86.02422	0.5
86.09691	67.9
87.10034	1.5
88.03970	9.6
91.05450	2.1
93.07031	1.4
95.08591	1.8
96.04478	1.0
96.08112	3.1
97.02901	0.5
97.06522	1.0
98.02402	4.3
99.04424	0.7
99.08097	0.8
100.03964	5.2
103.03967	0.5
103.05450	2.0
105.07034	1.2
107.04964	1.2
107.07332	0.4
107.08580	1.2
109.02842	1.0
109.10134	0.8
110.07157	0.7
110.09669	0.8
112.07613	0.4
113.10742	3.3
115.05021	0.9
116.07073	0.5
119.08551	0.5
120.01112	0.8
120.08085	39.0
121.08391	0.6
121.10146	1.0
123.11674	0.7
124.98526	0.4
125.05900	0.4
127.03882	1.2
127.05000	0.7
128.04228	0.7
129.10196	1.2
129.12747	0.5
130.06511	1.9
131.04843	1.0
132.10172	0.6
133.10132	0.7
135.08110	0.5
135.11636	0.6
138.09120	5.3
138.10091	0.7
141.10196	12.6
142.08598	1.9
145.10136	0.6
149.05971	0.7
151.11093	0.4
155.11748	1.6
156.10170	12.2
159.11674	0.5
166.08618	20.1
167.08942	0.5
169.12172	0.6
175.08714	2.2
183.11249	7.6
184.09666	3.3
185.05838	0.4
186.11139	0.5
197.11665	0.5
201.12305	100.0
202.12585	1.7
211.10735	0.6
215.10762	0.5
229.11795	27.1
230.12067	0.5
235.10718	3.5
237.18558	0.9
262.73224	0.4
263.10056	0.6
279.17017	1.5
280.17365	0.4
291.13577	0.4
330.17889	1.2
333.14606	0.4
338.39258	0.4
376.21631	0.6
377.13495	0.9
394.14096	1.4
394.18747	0.6
394.22891	0.5
395.16727	12.0
408.62054	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2781
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	4.8
53.86431	1.8
55.01858	2.6
55.05303	1.6
55.05502	20.0
57.03409	4.9
57.06816	2.9
57.07066	39.6
65.03941	2.4
67.05493	38.1
69.03432	2.3
69.07057	24.6
69.55080	17.0
71.04954	3.6
71.08620	27.9
77.74588	1.9
79.05053	3.7
79.05476	34.7
80.06232	2.3
81.03436	2.4
81.07043	68.5
82.07370	4.5
83.04957	5.1
83.08607	13.2
85.06519	4.1
85.10165	15.9
91.05470	44.9
92.05807	3.0
93.06467	4.1
93.07030	62.6
94.07349	2.9
95.04961	53.2
95.08593	67.2
96.08924	2.3
97.06517	9.3
97.10152	7.6
98.20733	4.0
98.98455	50.9
103.05447	3.7
105.04546	2.7
105.07014	80.9
106.07327	5.1
107.08583	48.5
108.05795	1.9
109.06488	12.8
109.10143	35.8
115.05417	4.7
117.07010	18.9
119.08559	74.7
120.08885	6.7
121.06480	22.9
121.10129	38.9
122.10388	2.8
123.08020	6.2
123.11668	14.1
128.06229	11.0
128.26674	1.9
129.07007	15.6
129.11275	2.3
130.07736	8.5
131.08559	43.0
133.06487	4.9
133.10117	47.9
134.10419	3.2
135.08015	8.4
135.11664	17.9
137.09637	4.1
137.13263	2.5
139.11142	3.0
141.06969	6.2
142.07762	20.0
143.08539	34.0
144.09286	6.4
145.10104	65.0
146.10475	6.8
147.08017	5.9
147.11679	20.5
149.09613	3.5
155.01010	100.0
155.08571	11.2
156.09294	11.9
157.10106	47.1
158.10782	8.6
159.08055	4.6
159.11679	35.5
160.12015	4.7
161.09605	13.7
161.13239	9.2
163.11166	4.4
165.07025	2.7
167.08519	3.6
168.09218	3.9
169.10152	20.3
170.10849	5.2
171.11671	24.1
172.12242	2.2
173.09573	5.3
173.13249	19.1
175.11124	11.9
175.14807	14.9
179.08470	7.7
181.10091	8.1
182.10834	6.2
183.11658	15.4
185.09601	2.2
185.13228	10.4
187.11086	5.1
187.14745	10.7
193.10121	3.9
194.10979	2.2
195.11627	11.4
196.12195	2.9
196.82927	2.9
197.13245	14.7
199.11217	2.7
199.14763	9.6
201.12718	3.5
201.16428	7.8
206.10805	3.3
207.11647	6.2
209.13199	13.1
211.14775	7.7
213.12767	2.1
213.16251	3.2
219.17395	2.8
221.13206	5.2
222.13895	3.7
223.14738	5.4
225.16296	4.2
235.14766	5.6
237.16212	5.7
239.23740	12.4
251.17790	2.4
253.15822	3.8
253.19424	2.7
255.17226	3.1
265.19476	3.8
333.21643	2.8
375.26578	5.5
393.27753	12.8
393.38864	13.9
403.23566	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1899
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	1.6
55.05497	1.7
57.07069	30.8
57.12502	1.3
59.03700	1.1
65.03898	1.2
67.60019	1.1
69.03426	3.5
69.07043	5.3
69.59836	9.0
77.61730	1.0
79.52630	1.1
81.07041	1.8
83.04957	5.0
85.06545	2.6
90.91230	1.3
91.05452	3.4
93.04465	1.4
93.07028	1.2
95.08568	1.3
96.67266	1.2
105.07052	1.5
110.07153	5.4
111.11711	1.9
115.05402	3.2
117.06997	4.4
119.08598	1.7
121.06461	1.3
128.06197	1.6
128.51938	1.1
129.06973	3.3
131.08536	1.1
133.06488	2.7
133.10123	1.6
141.06987	1.3
143.14310	2.7
144.31085	1.1
145.06450	4.0
147.08020	5.1
149.05962	10.7
157.06514	1.5
158.07256	2.3
159.08035	5.3
160.05122	1.6
161.05936	6.2
163.07527	7.9
171.04335	5.6
172.08871	1.4
172.47932	1.2
173.05907	1.6
173.09552	2.3
175.03888	6.3
175.07524	10.6
177.05446	24.6
185.05974	2.9
187.07527	4.1
188.04652	2.0
189.05392	6.1
191.07004	22.6
191.08586	2.2
193.04889	2.9
199.11185	1.4
201.09071	2.1
201.12675	2.4
203.07005	71.0
204.07309	3.0
205.08549	3.4
213.05440	20.4
213.09106	1.9
214.09955	2.1
215.07079	1.5
217.12267	1.4
219.06496	41.1
220.06882	1.6
221.08112	2.6
227.10593	5.9
229.12230	6.7
231.06490	93.4
231.10179	4.6
232.06854	2.8
233.07947	2.1
237.07562	4.3
245.11690	29.1
246.12076	1.7
247.09637	3.3
249.07527	10.6
255.10118	4.7
263.12683	11.7
273.11179	86.0
274.11447	4.4
275.09100	2.3
282.72128	1.5
291.12231	100.0
292.12534	3.9
309.13303	25.2
312.09644	1.1
321.13266	3.8
333.13306	3.4
337.02283	4.9
348.30099	2.1
349.25552	1.5
375.13101	1.4
375.17926	29.8
392.54932	1.1
393.08411	4.4
393.18988	15.9
393.23795	2.1
394.30518	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	393.1748
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	6.2
53.14479	1.3
55.01851	5.9
55.05490	4.9
56.05019	2.6
57.03420	4.9
60.04510	1.9
61.02906	5.8
63.87382	1.7
65.03925	3.1
67.05492	90.6
67.50320	1.5
68.99775	5.4
69.03418	40.3
69.07059	4.4
69.74872	1.3
69.85765	2.8
69.86182	7.6
70.03756	1.7
70.06582	21.8
71.04978	6.9
71.06915	1.5
72.08143	13.2
72.84826	1.4
73.02877	3.8
79.05481	4.3
81.03403	25.1
81.07051	14.5
81.62775	1.5
83.04979	1.7
83.08607	7.7
84.04483	5.2
84.08125	11.2
85.02891	100.0
85.06524	24.9
86.03217	1.6
86.06049	3.6
86.09698	17.6
87.00816	41.3
88.03958	1.9
91.03927	1.4
91.05466	7.6
93.07021	5.7
95.04964	3.5
95.08608	5.7
97.02876	28.5
97.06455	2.5
98.03284	1.6
99.04439	19.2
102.05521	5.8
103.03935	9.4
105.01847	54.8
105.06979	2.9
107.08575	5.2
109.02118	1.9
109.02862	33.1
109.06518	3.5
109.10139	93.7
110.03201	1.8
110.07161	8.7
111.04414	2.1
111.08085	1.7
114.05510	3.3
116.07069	2.5
119.04948	3.1
119.08555	3.8
120.08071	8.8
127.03893	90.5
127.11162	26.7
129.01828	4.6
129.10210	9.1
130.79419	1.5
131.08566	2.9
133.10123	3.3
136.07541	4.2
137.05937	2.6
137.09576	3.2
139.11191	2.2
145.04945	23.9
145.10115	1.9
147.02881	3.8
147.04361	5.6
148.05972	1.4
149.07405	4.4
150.05809	1.5
151.11111	1.8
159.02901	5.2
175.11084	1.8
179.10620	2.6
187.05981	3.5
189.03809	1.8
197.11641	2.9
204.08818	2.4
213.03926	5.4
216.08771	29.5
217.12270	3.1
225.06450	3.9
225.62112	1.5
228.13412	1.8
230.10313	4.3
231.04903	14.2
235.13258	2.4
240.08780	16.6
246.09862	2.5
249.06117	4.4
249.15985	2.0
300.10870	16.4
301.11050	2.2
326.08643	1.7
328.18793	2.0
361.12704	1.7
384.12521	1.5
393.15216	15.5
393.20111	2.1
393.71054	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1748
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01675	0.6
53.03933	4.1
55.01873	1.4
55.05507	0.9
56.04993	0.7
57.03423	7.8
59.04995	0.9
61.02917	5.0
65.03923	1.3
67.05494	26.0
68.05814	0.7
68.99760	2.4
69.03417	25.0
69.07053	1.1
70.06577	8.1
70.13614	3.0
71.01330	2.5
71.04987	6.7
72.08138	1.5
73.02906	2.9
75.04452	2.6
79.05473	0.8
81.03406	12.7
81.07055	3.3
84.08119	1.7
85.02890	33.7
85.06516	0.7
86.09701	3.5
87.00813	9.7
91.05463	2.0
93.07033	0.7
93.09252	0.6
95.04945	0.8
95.08592	1.1
97.02887	7.9
99.04438	13.1
103.03922	5.1
105.01844	13.7
105.07050	0.8
107.08553	1.4
109.02859	14.4
109.10136	18.2
116.07137	0.8
117.05524	0.7
119.08524	0.8
120.08064	1.3
125.09664	0.7
127.03899	34.2
127.11186	2.6
128.04230	0.9
129.01820	2.5
132.08151	1.1
133.10094	0.6
136.07539	0.7
145.04938	8.3
147.02846	1.2
148.07649	0.6
157.06448	0.6
159.02808	0.9
159.09158	0.8
160.08734	0.8
161.07106	3.3
169.07529	0.7
175.07458	0.8
179.07147	0.7
187.05946	2.4
187.08623	0.7
188.04691	1.4
188.06442	1.1
188.08163	19.4
190.09702	1.0
191.08185	1.7
203.06920	3.2
211.05904	0.8
213.03873	2.2
214.06079	4.5
216.07648	3.0
231.04942	4.5
231.06567	3.4
232.07152	11.1
234.08681	2.7
241.07169	0.7
244.10741	0.7
249.06023	0.9
259.08231	54.9
260.08713	2.9
272.16162	0.6
273.05911	1.4
332.11975	0.7
375.08859	1.0
375.12927	2.7
393.13968	100.0
394.14243	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	393.1018
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	6.1
53.78642	0.9
57.03426	1.4
61.02907	3.8
64.13524	0.9
68.99778	6.2
69.03071	1.5
69.03422	23.6
69.07061	1.2
70.06569	2.2
70.56298	3.0
71.04971	4.1
73.02896	0.9
77.68057	0.9
81.03403	24.9
81.07059	1.7
84.08166	1.5
85.02892	73.3
86.09696	2.3
87.00808	6.2
93.07041	1.2
95.04968	1.0
97.02879	12.8
99.04436	26.1
103.03929	23.8
103.04617	1.0
105.01847	3.4
107.08563	0.9
109.02860	39.9
109.06542	0.9
109.10062	0.9
119.08483	1.2
120.08109	2.4
127.03896	100.0
129.01813	9.6
131.31470	0.9
145.04935	10.9
147.02858	6.7
163.06030	1.7
169.04941	3.1
175.38490	1.2
187.06006	9.9
189.03952	1.1
193.04990	1.8
210.72835	1.1
213.03886	9.2
229.07072	1.2
231.04955	12.9
253.07156	1.3
273.06033	2.5
291.07013	3.0
339.07059	1.5
375.09164	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	393.1022
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64035	0.7
53.03936	4.9
55.01864	1.2
55.05492	1.3
57.03413	2.6
57.49224	0.6
61.02916	5.0
67.01846	1.0
67.05493	7.8
67.60643	0.6
68.99770	5.1
69.03416	27.1
69.07056	0.9
69.95348	2.9
70.06568	4.1
71.04979	6.0
72.08114	1.2
73.02876	1.2
79.05478	0.8
81.03400	24.0
81.07037	3.0
83.01343	1.1
83.04977	1.0
84.04479	0.8
84.08106	3.0
85.02888	69.6
86.09690	5.9
87.00806	8.0
91.05451	2.5
93.07044	1.0
95.04936	1.2
95.08575	1.6
97.02874	14.0
97.06470	0.8
99.04435	24.4
99.05088	1.4
103.03917	22.9
105.01833	6.0
107.04913	1.0
107.08530	0.6
109.02857	37.0
109.10127	5.0
111.00787	0.6
115.04002	0.7
116.65568	0.5
119.08535	0.8
120.08068	2.5
127.03891	100.0
128.04178	1.1
128.06207	0.7
129.01808	8.2
129.06998	0.7
129.10194	2.0
132.08080	0.8
135.11742	1.1
136.07552	0.8
137.05923	0.9
145.04932	11.6
147.02843	6.6
149.02330	1.0
150.39624	0.6
151.03964	0.7
153.01735	0.8
154.73515	0.6
157.10283	0.7
159.09189	1.0
160.05251	0.9
161.05876	1.1
163.05963	2.4
163.07326	0.9
169.04962	2.3
172.05327	1.0
173.05991	1.1
175.07489	1.5
185.05948	2.0
187.05954	8.7
187.08600	0.8
188.04648	9.7
188.08183	2.6
192.25848	0.7
193.05011	1.4
203.06969	16.7
211.06221	0.7
213.03879	9.5
213.05669	0.9
231.04959	4.3
231.06708	22.3
232.07076	1.3
249.05669	0.8
253.07036	1.0
259.08258	8.0
262.25894	0.8
273.06076	2.5
291.06937	3.3
299.84714	0.6
339.06976	1.7
357.08136	1.9
375.08890	3.3
393.13971	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	392.2275
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.9
55.05496	2.7
57.07044	0.8
61.02905	1.2
64.95831	0.7
66.32693	0.7
67.05494	8.8
69.03409	2.4
69.07060	5.0
70.06573	2.7
70.59934	0.7
71.04955	0.9
71.62520	1.2
71.62966	1.1
72.08151	1.0
79.05474	4.2
81.03397	1.7
81.07043	13.2
83.08598	3.8
84.04520	0.7
84.08127	2.7
85.02905	4.4
85.06517	3.0
86.06025	1.3
86.09696	16.2
87.04448	5.4
89.06032	3.0
91.05472	3.0
93.07032	13.4
95.08588	5.0
97.02885	1.0
104.07092	10.3
105.07006	1.6
107.08575	9.4
109.02863	1.5
109.10108	1.8
111.08073	2.3
117.07014	1.0
119.08594	1.5
120.08080	3.1
121.10118	3.5
125.05989	1.0
127.03901	4.0
131.08513	1.2
133.08627	1.5
133.10110	1.6
135.08072	0.9
135.11646	3.5
139.07510	3.1
144.31941	0.8
145.04869	0.8
149.02304	2.0
149.13242	58.5
150.02640	1.7
150.13564	2.0
159.11702	4.3
159.68384	0.8
167.14320	1.1
177.11192	1.6
177.12704	15.3
195.13783	100.0
196.14156	2.8
199.18039	4.6
208.31599	0.8
213.14844	22.2
225.07925	2.7
227.17517	2.6
277.10690	1.1
348.95340	0.9
393.18723	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.2272
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.1
55.01852	2.5
55.05495	3.6
57.03424	1.0
57.07050	1.3
61.02911	2.0
65.03919	1.5
67.05492	40.1
68.05807	0.8
68.99773	0.8
69.03424	7.5
69.07043	4.4
70.06568	2.4
71.04982	1.4
71.08607	2.0
71.57327	0.8
71.57823	1.1
72.08144	4.1
73.02901	1.9
79.05476	12.8
81.03403	5.3
81.07040	34.3
82.07354	0.9
83.04958	0.9
83.08597	2.3
84.04472	1.1
84.08111	1.9
85.02885	25.1
86.09707	1.2
86.22687	0.8
87.00818	8.4
91.05463	2.6
93.07021	19.4
95.08575	11.9
97.02861	8.7
97.06499	2.8
99.04443	3.0
99.27875	0.7
105.01849	17.5
105.07033	1.8
107.08569	17.5
109.02863	7.7
109.10135	22.2
110.07169	0.9
111.04412	1.3
111.08069	0.8
117.01801	1.0
117.07047	1.4
119.08578	1.5
120.08079	2.5
121.10133	7.0
125.05971	2.7
127.03889	19.8
129.01796	0.8
131.08557	1.6
135.07973	1.3
135.11609	1.3
139.07509	1.2
145.04918	9.2
149.02328	5.2
149.13229	100.0
150.02608	2.1
150.13564	2.7
151.14810	1.9
159.02867	3.7
159.11667	4.5
177.11189	1.2
177.12720	17.6
183.36084	0.8
189.03906	0.9
195.13774	48.8
196.14101	2.1
213.14812	95.3
214.15187	3.9
231.04935	7.4
236.16377	0.9
248.07622	1.0
249.06029	2.4
393.18661	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	392.1911
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.4
55.01856	0.7
55.05502	0.9
56.05017	3.6
56.91661	0.6
57.03427	0.7
60.04514	1.3
60.05647	0.7
61.01142	1.7
61.02906	1.5
63.55579	0.6
66.90451	0.7
67.05492	1.3
68.05006	1.2
68.99774	0.7
69.03421	5.2
69.07056	1.2
69.59091	5.5
70.06586	16.0
71.04959	1.5
72.08149	6.3
74.06055	0.9
79.05470	2.9
81.03417	4.6
81.07033	1.0
83.04968	0.8
84.04493	4.3
84.08140	5.9
85.02895	14.3
85.06537	0.9
85.08453	0.7
86.09699	8.8
87.00816	0.8
87.10025	0.9
88.03967	1.5
91.05482	2.6
93.07009	1.5
95.04937	1.9
97.02873	5.3
98.02413	0.8
99.04466	3.1
102.05525	1.7
103.03927	2.1
103.05456	2.3
104.05305	2.8
105.06992	2.7
107.04942	23.8
107.08586	1.1
109.02863	5.3
110.07136	0.8
115.03954	1.1
115.05399	1.7
115.81734	0.7
116.07095	3.3
117.07024	0.6
119.04886	0.9
119.08607	0.8
120.05692	0.8
120.08088	5.8
121.02975	0.6
124.05148	0.8
126.09093	1.6
127.03896	12.5
129.01823	1.4
129.10223	3.3
130.04994	1.3
131.04945	0.7
132.10176	2.8
135.08028	8.9
136.07541	2.3
137.05960	1.0
140.03485	0.7
140.04584	0.9
145.02888	0.9
145.04927	1.9
145.07510	0.7
147.02867	1.3
147.04359	0.9
149.02342	4.7
149.09637	0.8
150.02693	1.8
151.07480	0.9
153.05449	1.2
153.60974	0.6
154.06267	1.5
155.06995	1.3
163.06131	0.8
163.07515	13.9
166.08591	1.8
167.03386	1.1
167.07014	10.7
167.08183	2.1
169.04953	1.5
177.05376	1.0
177.09029	1.1
180.07707	1.3
181.09918	0.8
185.09143	1.1
187.06088	1.2
195.10147	100.0
196.10461	3.0
201.06418	0.7
202.07112	1.3
203.07996	0.7
203.78893	0.6
204.08844	3.5
213.03914	1.0
213.11140	2.0
215.08179	1.0
216.08780	53.1
217.09654	1.3
217.13524	1.5
218.10378	2.8
223.03447	0.6
225.06369	5.3
226.07256	1.7
229.09546	0.8
230.10219	4.5
231.04893	1.4
240.08769	31.0
241.09703	0.7
243.07863	0.7
246.09799	3.0
249.12393	0.8
258.09799	2.0
268.08261	2.6
272.11359	1.8
300.10864	29.7
315.11841	0.7
333.13083	1.7
335.69296	0.7
343.11536	1.8
361.12463	2.9
375.14206	3.7
392.10330	2.8
392.18631	1.8
392.90573	0.6
393.06561	1.3
393.15161	27.0
393.20599	1.8
401.99786	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.1908
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	2.9
55.01849	3.1
55.05486	4.3
57.03405	2.7
57.07061	1.1
61.02898	3.7
65.03914	4.0
67.05494	100.0
68.05828	1.6
69.03065	1.4
69.03414	17.6
69.07046	2.7
70.06567	2.9
71.04965	3.3
71.57299	0.9
71.57680	0.9
72.08118	1.2
73.02896	3.5
79.05488	4.7
81.03409	14.2
81.07044	15.2
83.04963	1.4
84.04520	1.2
84.08124	1.4
85.02892	49.4
85.06508	1.1
86.09681	2.4
87.00816	18.3
91.03910	1.3
91.05487	1.7
93.07019	7.1
95.04960	1.1
95.08546	2.2
97.02876	17.2
97.06502	1.9
99.04447	7.3
105.01846	39.5
105.06976	1.0
107.08566	5.9
108.04435	1.7
109.02858	14.7
109.10141	65.6
110.10461	1.5
115.03924	1.1
117.01852	1.1
120.08082	3.8
121.10120	2.5
123.11597	1.3
125.05971	1.2
126.05469	2.1
127.02950	2.2
127.03896	44.5
127.07572	1.0
128.04222	1.1
129.01830	1.8
129.10078	1.2
133.10077	1.0
134.42972	0.8
135.08011	1.8
135.11681	2.4
143.08456	1.1
145.04930	21.7
149.02287	6.1
149.13232	12.8
150.02638	4.0
155.06932	0.9
157.09996	1.5
159.02901	7.2
174.13477	1.0
177.12721	3.0
189.03915	1.8
195.13773	6.5
213.03893	0.9
213.14827	10.8
217.12244	1.3
220.06598	1.1
230.18379	1.5
231.04968	14.2
248.07539	2.3
249.05952	6.8
303.19330	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2626
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98722	1.7
53.03933	2.8
55.05503	10.3
57.07059	7.4
61.27791	1.6
63.24747	1.8
65.03925	5.1
67.05491	13.4
69.03402	3.1
69.07044	8.1
69.77256	11.8
70.06564	1.7
71.08607	3.2
78.34698	2.1
79.05486	19.0
81.07044	32.4
83.04956	4.5
83.08602	3.6
83.50789	1.8
91.05465	29.6
92.05808	1.8
93.07030	29.0
95.04964	39.1
95.08596	11.8
97.06509	4.6
99.71597	2.0
105.07014	50.7
105.54690	1.9
107.08586	21.5
107.64803	1.9
108.08910	2.6
109.06513	6.2
109.10142	8.1
115.05432	3.2
116.24628	1.9
117.06980	10.5
119.08567	36.4
121.06502	7.0
121.10126	17.1
123.08054	4.1
128.06216	8.4
129.06978	11.7
130.07761	5.4
131.08559	20.8
133.06508	2.1
133.10112	15.3
135.08003	4.5
139.95169	2.0
141.06975	5.2
142.07770	11.6
143.08556	21.8
144.09354	3.2
145.10104	33.5
147.08029	4.0
147.11684	5.5
149.02324	36.5
149.09633	4.0
153.07024	2.4
155.08530	11.1
156.09305	9.6
157.10117	29.0
158.10800	4.4
159.08034	5.7
159.11652	11.1
161.09639	5.0
161.13220	2.2
165.06973	4.9
166.07803	2.1
167.03374	5.4
167.08553	6.8
168.09354	5.0
169.10077	17.4
170.10847	3.0
171.11659	15.5
173.09586	5.4
173.13292	12.9
175.11224	3.2
178.07748	2.4
179.08537	8.4
180.09294	5.5
181.10011	8.8
182.10869	6.6
183.11705	15.3
183.88196	1.7
184.12309	2.5
185.09595	3.8
185.13246	8.7
187.11130	2.2
189.99614	2.0
191.14275	3.6
192.09361	5.4
193.10080	11.2
194.10841	6.7
195.11685	12.6
196.12395	6.4
197.13182	13.5
199.11063	4.5
199.14810	7.0
201.12704	2.4
203.14246	2.3
205.10353	2.0
206.10915	6.2
207.11679	14.0
208.12402	4.9
209.09665	3.4
209.13228	14.0
210.13982	3.2
211.11270	2.6
211.14848	7.0
213.12733	3.9
215.14290	2.9
217.10049	3.3
217.15800	2.4
219.11757	4.0
220.12383	2.7
221.13258	11.5
222.13933	3.5
223.11348	2.2
223.14769	11.2
224.15390	2.4
225.12753	2.4
225.16454	3.1
227.14273	4.1
231.11681	4.3
232.12444	2.8
233.13239	7.8
233.15337	3.9
234.13979	4.6
235.14847	6.6
236.15417	2.1
237.16370	3.9
239.14284	3.5
241.16032	2.0
244.12369	3.4
245.13261	2.5
246.13986	3.3
247.14832	5.1
248.15569	2.0
249.16307	11.3
251.14293	3.7
251.17949	3.5
253.15839	2.3
257.13077	2.3
261.16315	3.3
263.17938	6.3
264.18503	2.1
265.15891	2.5
265.19296	3.1
267.17627	3.1
269.19058	2.3
271.20407	2.4
274.16956	2.7
275.17804	4.1
277.19547	4.8
279.17349	5.2
281.18884	3.3
282.19778	5.7
289.19464	3.9
291.17459	2.9
293.18945	5.0
295.20511	3.1
297.18457	4.8
303.17487	2.9
305.30374	3.5
307.20609	2.7
308.21121	3.7
311.20074	2.6
317.18954	2.7
329.32516	2.2
335.20026	4.2
363.26782	2.3
373.25226	15.1
391.26263	100.0
391.34442	4.6
392.26581	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.3722
Annotation	Filfiline
Peak:m/z	Relative Intensity
56.56926	0.1
69.85603	0.3
69.86023	0.7
93.05764	0.2
94.06548	0.2
95.97079	0.2
102.32831	0.2
106.06535	0.2
107.07316	4.1
120.08084	3.3
121.08862	0.8
134.09624	2.4
135.10315	0.2
148.11232	0.5
148.17572	0.2
151.09886	4.9
162.12778	0.7
164.10686	2.8
165.11560	0.8
176.14304	0.4
178.12238	3.0
179.09392	1.7
190.12343	0.2
190.15862	0.7
191.12450	0.2
192.10155	1.0
192.13734	0.3
206.11771	1.2
206.15399	0.7
206.19009	0.3
218.19031	0.5
220.16919	0.5
232.20592	0.3
234.14973	0.2
234.18524	0.6
246.22064	0.2
250.17320	0.2
260.23712	0.3
262.18054	0.5
262.21588	0.5
290.21118	0.3
290.24445	0.2
303.41284	0.2
304.26257	0.2
318.31503	1.6
346.34613	15.6
347.35028	1.1
372.36136	0.7
390.33502	14.8
390.37451	100.0
391.33716	1.4
391.37561	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	391.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60160	1.2
52.55457	1.2
56.05027	18.6
57.03414	2.1
57.07056	4.9
57.26923	1.3
58.06598	8.2
60.04518	4.4
64.32511	1.2
64.93643	1.2
70.06578	34.8
71.08616	6.9
71.62228	1.5
72.08148	7.7
74.06065	70.6
74.25441	1.2
81.07047	1.6
84.04486	15.2
84.08131	13.1
86.06065	3.8
86.09687	66.2
87.05555	2.7
98.09668	3.2
101.07128	23.5
102.05524	3.2
107.04967	1.7
113.07082	1.7
116.18964	1.3
116.98616	1.5
121.02859	1.7
124.11195	1.6
126.09154	1.8
126.12816	1.7
127.03904	1.5
129.10226	5.1
142.12242	10.7
143.11729	8.5
145.04849	1.5
147.07616	1.5
149.02315	57.2
152.10678	1.9
159.07603	9.8
163.03827	3.2
164.04309	1.9
167.03368	7.3
169.13361	2.2
177.08678	55.3
187.07158	3.9
187.14380	100.0
188.14761	2.4
189.12427	1.5
212.03635	1.9
215.13881	38.3
215.15947	1.9
229.15431	15.0
234.98914	8.5
244.09386	2.0
253.00121	2.2
272.15930	7.2
273.00540	4.0
288.11969	2.0
290.17255	1.8
312.15518	1.6
316.18619	6.2
331.04868	3.5
373.20789	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	391.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.2
55.01870	5.1
55.05503	20.4
57.03427	6.7
57.07063	9.7
67.05499	11.8
69.07057	24.2
69.89218	3.1
71.08623	6.6
79.05482	8.1
81.07043	15.2
83.04945	0.7
83.08605	21.7
85.10155	1.4
90.36615	0.5
91.05453	1.4
93.07029	8.5
95.04970	1.1
95.08590	10.8
97.02774	0.6
97.06522	5.0
97.10155	17.0
98.20821	0.8
98.98452	83.5
99.08127	0.6
107.07344	1.0
107.08585	5.9
109.10135	4.4
111.08059	2.7
111.11703	4.9
113.09639	0.7
116.99461	2.4
121.10126	14.0
123.11681	4.5
124.99934	0.9
125.09567	1.5
125.13223	1.3
126.41112	0.6
127.11192	0.7
133.10121	0.9
135.11667	8.8
137.13228	3.5
140.01021	0.9
143.08513	0.7
149.02318	7.8
149.13261	3.4
155.01018	100.0
156.01357	0.9
163.14745	1.4
167.03349	1.2
177.16325	0.9
196.03645	1.9
219.19171	0.7
219.21074	8.4
237.22096	29.9
238.22415	1.8
284.06546	0.6
347.35065	2.9
390.36832	1.3
391.22058	0.8
391.37564	17.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.3723
Annotation	Filfiline
Peak:m/z	Relative Intensity
55.05453	0.4
55.32537	0.1
57.07037	0.3
57.07286	0.1
57.66677	0.1
67.05473	0.3
69.07011	0.6
69.94136	0.9
79.05462	0.2
81.06997	0.4
83.08597	0.3
86.62903	0.1
87.04417	0.2
95.08559	0.3
97.10117	0.3
98.98444	1.0
104.48464	0.1
106.06536	1.5
107.07316	3.0
109.10101	0.2
120.08089	4.2
121.08913	0.8
121.10131	0.3
123.04366	0.3
134.09631	1.2
134.68732	0.1
135.11563	0.2
146.09557	0.2
148.11180	0.3
149.02328	0.8
155.01035	1.5
162.12741	0.8
164.10681	0.2
176.14262	0.4
190.15810	0.2
200.65141	0.1
204.17390	0.3
206.18935	0.5
218.19011	1.8
220.20567	0.3
223.94714	0.1
232.20494	1.0
234.21991	0.2
237.22025	0.2
246.22115	0.4
248.23682	0.7
260.23727	0.9
262.21609	0.2
274.25327	0.2
288.26761	0.3
290.27530	0.3
304.29987	0.7
318.31378	0.2
346.34628	28.3
347.35007	1.4
372.36005	0.4
390.37247	100.0
391.37589	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	390.3361
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	0.2
60.05076	0.2
63.74797	0.2
69.07061	0.2
81.07021	0.5
83.08596	0.3
87.04458	13.1
88.04762	0.3
91.05447	0.3
93.07008	0.2
94.06535	0.3
95.04942	0.2
98.98415	0.2
99.04515	0.2
105.06985	0.3
107.06593	0.4
107.07314	6.8
107.08478	0.4
111.93080	0.2
116.42751	0.2
119.08562	0.2
120.08086	3.6
121.08920	1.0
121.10094	0.2
134.09631	2.7
143.08507	0.2
148.11125	0.3
149.02307	1.3
155.00999	0.4
162.12782	0.7
176.14325	0.4
190.15900	0.7
192.17429	0.4
193.10875	0.4
204.17529	0.3
206.11813	0.3
206.19017	0.5
218.19002	0.7
220.13287	0.4
237.22026	0.2
256.26450	0.3
304.29932	51.9
305.30286	3.5
329.54245	0.2
390.33591	100.0
391.33939	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	390.336
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76968	0.2
55.01865	0.6
55.05504	2.7
57.03420	0.9
57.07066	1.4
59.04976	0.8
61.54199	0.2
65.03925	0.4
67.05495	1.8
69.07059	2.0
70.06566	0.3
70.76535	0.9
71.08607	1.0
79.05460	0.9
81.07053	2.2
83.04974	0.3
83.08611	1.8
87.04448	0.9
91.05463	0.6
91.16888	0.2
93.07029	1.4
94.06535	0.6
95.04939	0.8
95.08601	1.6
97.06498	0.8
97.10143	1.4
98.98445	5.7
105.07002	1.2
106.06559	0.7
107.07322	9.4
107.08436	1.3
109.10133	0.7
111.07990	0.3
111.11696	0.3
113.11002	0.3
119.08571	0.5
120.08096	6.2
121.08908	1.2
121.10110	1.6
123.11683	0.4
131.08569	0.5
133.10078	0.5
134.09628	3.8
135.11662	1.0
145.10081	0.5
148.11180	0.9
149.02313	2.0
149.13213	0.6
155.01027	8.3
157.10027	0.4
162.12755	1.4
171.11642	0.5
173.13120	0.3
176.14372	0.7
178.15807	0.4
181.10107	0.4
183.11707	0.5
184.19891	0.3
190.15874	0.9
192.17529	0.4
195.11731	0.4
201.94730	0.3
204.17459	0.6
205.10591	0.3
206.19078	0.8
207.12462	0.4
209.13161	0.4
218.18977	1.5
219.11877	0.3
219.20990	0.4
223.14870	0.3
232.20532	0.6
235.14740	0.3
237.16357	0.3
237.22121	2.2
246.22130	0.4
274.25098	0.3
290.28372	44.1
291.28674	2.9
304.29962	3.5
318.31244	0.3
330.27945	0.4
330.31589	0.6
346.34634	13.7
347.35037	1.0
355.28342	0.9
358.46652	0.3
373.25204	0.4
390.33469	100.0
390.37457	36.4
391.26541	1.3
391.33817	7.9
391.37814	2.2
397.18594	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.2114
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01847	0.9
55.05497	3.2
57.03416	0.8
57.07067	21.7
67.05495	4.2
69.03397	2.2
69.07058	4.0
70.06573	1.6
70.92583	1.2
70.92954	1.3
71.04975	0.8
71.08592	1.6
71.22734	0.7
79.05483	9.5
81.03397	1.6
81.07047	9.5
83.04920	1.0
83.08589	1.0
85.02885	6.8
85.06529	45.1
86.06872	0.8
86.09697	0.7
87.08100	0.8
91.05450	2.3
93.07001	3.4
95.04940	1.7
95.08587	2.8
97.02864	1.8
97.06509	1.6
100.11240	2.8
105.07013	4.9
107.04933	1.8
107.08571	2.1
108.83086	0.6
109.06500	5.5
111.04436	1.0
111.08054	0.8
117.07037	0.7
119.08552	2.2
121.10119	2.2
123.04412	9.0
123.08037	1.8
123.11682	6.7
125.05968	4.1
127.03863	1.3
129.06923	0.7
131.08569	0.7
135.11618	1.0
137.05940	1.7
145.04933	1.1
145.10004	0.7
147.11659	11.6
149.02312	2.1
149.13272	0.6
151.07545	0.8
151.11180	1.3
159.11557	0.6
165.08955	0.7
165.12737	5.2
175.11153	4.4
177.16356	1.7
182.15379	1.5
193.12213	100.0
194.12529	2.8
210.14836	1.4
211.13258	59.7
212.13596	1.6
317.74847	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.1751
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	3.6
55.05488	1.1
57.03415	1.8
60.04494	0.9
61.02919	1.7
68.43555	0.6
69.03423	4.7
69.64802	4.8
70.06569	3.5
72.08143	3.3
79.05475	5.0
81.03374	2.1
84.04477	1.1
84.08131	3.6
85.02892	14.6
86.09697	5.2
91.03911	0.9
91.05452	6.1
95.04912	1.4
97.02859	4.2
98.21531	1.4
99.04431	1.2
102.05499	1.0
103.05439	4.1
105.03378	1.4
105.07010	47.9
106.07372	0.8
107.04919	3.2
109.02846	2.1
109.06494	1.4
110.07133	1.6
115.05444	8.1
118.04169	3.5
119.04940	5.8
120.08049	1.1
121.06449	1.1
127.03896	3.3
129.10223	2.3
131.04892	3.5
133.06465	53.9
134.03543	1.0
134.06808	1.0
137.05974	1.5
143.06029	2.7
145.04889	4.1
147.04358	1.8
149.05934	2.8
151.07494	2.9
153.05426	2.0
161.05948	100.0
162.06229	1.9
167.06987	2.7
168.07761	2.0
179.06966	1.8
180.08665	4.3
186.70432	1.0
193.08571	93.0
194.08942	1.3
196.07253	1.1
202.98340	0.8
211.09590	15.8
286.83145	0.7
391.10672	1.1
391.15698	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	390.2117
Annotation	alfuzosin
Peak:m/z	Relative Intensity
55.01855	0.7
55.05505	3.0
56.39863	0.5
61.02898	0.5
62.59697	0.6
65.34290	0.5
67.05508	3.6
69.03413	1.3
69.07040	1.8
70.06572	1.7
70.55904	1.2
70.56262	1.5
71.04969	0.8
72.08138	0.7
79.05054	1.1
79.05484	17.2
81.03387	0.7
81.07050	10.0
81.93756	0.5
83.08597	0.8
84.08118	2.4
85.02900	3.0
85.06544	3.0
86.09697	2.9
87.46625	0.5
91.05467	7.4
93.07045	3.7
95.04962	0.8
95.08580	1.0
97.02860	1.4
97.06509	4.6
99.04447	0.9
100.11316	0.7
103.03932	1.0
105.07008	7.0
107.04939	1.1
107.08572	2.4
109.02858	1.0
109.06507	9.1
111.04427	0.9
111.08125	0.8
117.06970	0.7
119.08566	5.9
120.08106	1.9
121.06497	0.9
123.08053	0.6
125.05981	11.5
127.03880	3.0
128.04224	0.7
129.06992	2.1
129.10184	1.0
131.08533	2.0
133.06497	5.7
133.10120	3.6
137.05966	5.0
139.07541	1.7
145.04936	1.3
145.10054	1.4
147.08034	1.6
147.11667	17.8
148.12006	1.1
149.02321	1.7
149.09587	1.5
149.13268	0.9
151.07552	5.8
157.10115	4.7
165.12740	1.7
175.11165	25.1
175.14630	0.7
193.12225	100.0
194.12563	4.3
195.53851	0.6
210.15247	0.5
211.13271	30.2
212.13531	0.8
279.09647	0.6
294.09390	0.9
333.31320	0.6
390.17874	0.6
390.30933	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.1391
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31197	1.5
56.32571	1.6
69.03388	1.4
70.06570	3.8
71.62161	3.9
74.06073	1.8
77.52218	1.7
81.03417	1.9
84.04472	8.0
84.08112	3.8
85.02877	5.2
86.09695	7.3
87.09985	1.9
97.02840	3.0
102.05508	4.4
107.04930	9.0
109.02800	1.6
123.04405	100.0
124.04740	3.4
129.10240	2.7
132.10156	3.8
133.02771	1.7
137.05923	1.9
149.02274	3.5
151.03853	3.5
163.03844	3.9
165.05449	64.7
166.05797	1.7
169.04961	9.7
183.06474	1.5
193.04938	53.4
193.08641	1.9
211.05971	40.3
354.41486	1.7
391.09814	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	390.1751
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.6
54.07684	0.9
54.84284	0.9
55.01859	2.7
55.05507	1.3
56.05035	1.3
57.03425	0.9
57.80984	0.8
60.04524	1.2
61.02919	2.1
67.05498	1.2
69.03414	4.7
69.07047	1.8
70.06579	11.9
71.20205	2.5
72.08142	7.0
73.02876	1.1
79.05495	5.9
81.03378	2.2
81.07067	1.4
82.06578	1.3
84.04481	2.7
84.08134	8.0
85.02892	16.6
85.06543	1.1
86.09693	11.5
87.10023	2.5
91.03947	1.1
91.05470	7.0
93.07028	2.3
95.04935	1.1
97.02870	4.8
102.05508	1.3
103.05433	5.6
105.07014	43.2
106.07327	1.1
107.04930	7.6
107.08530	1.6
109.02854	2.1
109.06498	1.6
110.07143	2.1
110.09671	1.1
115.05443	8.4
116.07068	1.6
117.06886	1.0
118.04163	3.4
119.04901	6.4
119.08595	1.2
120.08117	2.9
121.06470	2.2
123.08147	1.0
123.88360	0.9
127.03918	3.2
129.10216	4.9
130.05002	0.9
131.04889	2.1
132.05244	1.2
133.06467	46.3
134.03621	1.0
135.04422	1.6
135.08072	1.2
136.07553	1.2
137.05925	2.5
138.09120	1.6
143.04935	1.3
143.06030	3.5
145.04950	2.7
145.06479	1.8
147.04390	3.5
147.11577	1.1
148.06023	1.3
149.05971	3.1
151.07510	2.9
153.05464	3.0
161.05956	100.0
162.06335	2.5
163.03856	1.5
167.07022	1.6
168.07860	1.2
174.11320	1.0
180.08647	3.2
188.06972	1.2
191.06987	1.5
192.14470	0.9
193.08575	86.1
194.08971	1.6
196.07327	2.1
211.09607	14.9
211.13138	2.1
228.12234	2.2
228.15916	1.4
300.43503	1.0
346.15396	1.1
349.08035	1.0
367.08951	1.7
390.14102	8.0
391.10001	4.4
391.15530	7.9
407.78485	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2165
Annotation	Turpinionoside E
Peak:m/z	Relative Intensity
50.13733	2.5
52.62753	2.5
52.92725	2.4
53.03941	3.2
55.05500	7.2
57.03426	5.1
58.06616	2.7
65.24867	2.2
67.05488	13.9
69.03410	13.8
69.07060	20.1
70.06567	14.2
71.04983	6.3
71.62074	4.5
72.08131	6.6
74.06030	3.2
79.05480	15.2
81.03402	9.3
81.07052	26.0
82.73756	2.3
83.04963	6.3
83.08614	5.2
84.04475	3.7
84.08156	8.4
85.02898	18.1
85.06516	12.2
86.09690	39.7
91.05465	19.9
93.07039	32.9
95.04928	15.1
95.08601	26.1
97.02879	6.5
97.06518	12.3
99.04454	6.2
99.08088	8.4
101.31417	2.8
101.86777	2.8
103.05480	4.5
103.67544	2.6
105.03367	42.5
105.07020	22.3
107.04938	16.4
107.08582	58.9
109.06490	22.6
109.10136	27.8
111.08034	3.3
113.09669	3.0
117.07030	4.0
119.08565	17.3
121.06477	8.1
121.10128	39.9
123.04369	4.0
123.08031	16.5
123.11671	4.4
125.09612	3.1
127.03882	4.0
129.10226	4.5
131.04910	8.1
131.08553	22.1
133.02841	3.3
133.10101	33.1
135.04404	2.6
135.08026	15.7
135.11681	12.6
137.05959	3.4
137.09605	20.5
139.03923	3.2
139.07614	3.1
143.08649	3.2
143.11725	5.2
145.10077	20.5
147.04486	2.9
147.11656	15.6
149.09589	12.8
149.13249	41.4
151.07513	3.5
151.11150	27.9
153.05403	4.2
153.09157	3.8
158.10854	4.0
161.13245	5.3
163.11150	29.6
163.14825	20.2
165.05452	2.9
167.10628	3.3
173.13242	44.8
179.06943	15.2
181.12172	3.2
184.57651	2.6
189.12460	3.5
191.10599	6.9
191.14275	100.0
192.14647	8.6
193.04973	21.7
197.08133	18.6
209.11739	43.3
209.15312	58.2
219.13454	7.0
227.12964	13.0
227.16386	62.5
271.10919	3.4
284.19730	2.8
315.09619	3.3
315.32721	2.7
325.09921	2.5
327.30130	2.7
347.12448	2.8
389.17624	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	389.3002
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	7.3
56.06754	1.0
57.07054	4.0
67.05481	3.5
68.05022	11.1
69.03423	1.8
69.07059	10.7
70.06580	1.9
70.95908	1.0
71.04986	1.3
71.63201	1.7
76.55704	1.0
81.03400	1.6
81.07036	3.0
83.08599	5.0
84.04490	51.2
84.08124	2.2
85.02866	5.2
86.06031	2.2
86.09728	1.0
91.05447	1.2
93.07063	1.3
95.08582	3.6
96.04478	3.8
97.10159	3.5
98.06025	1.1
101.07095	1.4
102.05520	3.0
107.08553	1.1
109.10118	2.0
111.11726	1.3
114.05512	48.0
127.03901	2.9
130.04985	44.5
131.05067	1.1
142.04973	40.3
147.04359	1.1
149.09604	1.3
189.03877	1.5
196.57744	1.2
198.22118	3.5
236.23717	3.8
264.23141	6.1
281.25757	2.0
282.24277	1.7
288.41302	1.1
310.23721	20.7
318.31271	1.5
327.26379	100.0
328.26666	3.4
349.16815	1.8
353.28009	2.1
371.24420	2.0
371.29028	15.9
390.30130	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	389.2163
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01583	0.8
53.03932	3.1
55.01859	4.0
55.05503	5.4
57.03424	3.0
62.35736	0.7
64.58204	0.9
67.05490	7.6
68.89692	0.6
69.03408	5.9
69.07056	9.5
69.67362	3.5
69.67782	1.9
70.06581	1.6
71.04634	0.9
71.04984	9.0
79.05477	12.1
81.03405	14.6
81.07045	20.2
83.04961	2.5
83.08603	1.6
84.08118	0.8
85.02875	3.7
85.06526	3.6
86.09688	9.2
91.05474	6.9
93.07027	30.6
93.65041	0.7
94.07394	0.9
95.04954	4.7
95.08595	10.8
97.06512	100.0
98.06852	2.7
99.04433	14.7
99.08037	1.3
103.05446	1.1
105.07009	19.3
106.07389	1.2
107.04946	1.7
107.08578	37.9
108.08911	1.8
109.02855	10.7
109.06503	14.2
109.10136	7.9
111.08067	6.7
112.72358	0.8
113.06010	2.3
113.09624	1.1
117.06998	2.3
119.08561	7.0
121.06478	9.7
121.10124	32.5
123.08076	4.3
123.11668	2.2
125.06040	1.3
125.09663	1.5
127.03907	2.5
127.07557	4.0
131.04884	1.0
131.08597	4.1
133.10112	6.2
135.08047	6.4
135.11688	7.3
137.09599	2.0
139.07526	2.2
139.11156	3.2
139.24167	0.8
145.04948	1.6
145.10103	17.6
146.10475	1.6
147.11674	6.4
149.09601	8.3
149.13231	15.8
151.07518	1.6
151.11165	4.9
153.09071	2.2
161.13310	1.3
163.07516	1.2
163.11148	37.4
163.14746	3.9
164.11545	1.4
165.12749	1.7
167.10651	15.1
169.08568	17.0
169.09892	1.5
169.12224	10.2
173.09590	3.2
173.13124	5.8
181.12202	12.0
183.13899	1.3
185.11723	2.7
189.12357	1.5
191.10641	31.1
191.14259	9.7
192.11035	1.4
192.14508	0.8
201.12320	1.4
209.11705	15.1
209.15337	12.7
227.12790	25.4
227.16339	26.4
228.13206	1.2
228.16711	1.1
277.67227	0.8
289.57047	0.8
293.09158	0.9
307.47336	0.8
331.13831	1.4
353.15948	3.8
371.16833	6.0
389.13562	1.3
389.17972	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	389.2161
Annotation	Breyniaionoside D
Peak:m/z	Relative Intensity
55.05497	5.4
57.04641	2.1
67.05476	8.2
69.03413	7.4
69.07045	7.4
70.96194	6.7
71.04971	3.5
72.08137	4.0
79.05478	7.0
80.32056	2.0
81.07038	22.7
81.50408	2.2
83.04964	3.4
85.02881	6.1
85.06528	4.6
91.05432	3.9
93.07024	19.2
95.04986	2.7
95.08591	16.3
97.06511	8.0
99.08111	5.3
100.27869	2.1
101.07001	2.2
105.06995	14.1
107.08572	56.2
108.08900	2.3
109.06492	9.0
109.10141	17.1
111.08067	3.3
115.76926	2.3
119.08543	12.9
121.06480	7.0
121.10107	26.7
123.08048	11.6
131.08528	10.0
133.10103	28.5
135.08000	8.0
135.11656	6.4
135.46759	2.0
137.09621	8.1
139.11172	8.2
145.10092	4.9
147.11649	8.2
149.09610	11.4
149.13235	34.8
150.68259	2.1
151.11159	12.4
153.09030	4.7
161.13232	4.3
163.14812	14.2
167.10657	6.1
173.13222	26.9
179.14314	6.1
190.23610	2.6
191.14278	67.8
192.14551	5.0
200.67238	2.8
200.75305	2.1
209.15315	36.9
210.15681	3.3
213.12534	2.3
227.16374	100.0
228.16705	3.3
364.60629	2.3
379.36215	2.7
390.05371	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	389.2166
Annotation	Breyniaionoside D
Peak:m/z	Relative Intensity
51.16879	0.6
53.03945	1.2
55.01865	1.3
55.05499	1.7
57.03422	1.6
60.37628	0.6
60.95719	0.6
67.05488	2.5
69.03427	4.0
69.07049	2.8
70.06584	2.6
71.04984	5.2
71.62043	1.0
72.08141	2.4
79.05492	3.5
81.03395	2.7
81.07047	4.9
83.04969	1.5
84.08124	2.3
85.02895	8.0
85.06522	2.2
86.03233	0.9
86.09274	0.7
86.09689	3.6
91.05469	2.9
93.07037	8.1
95.04931	2.0
95.08595	3.1
97.02901	4.3
97.06502	1.2
98.48159	0.6
99.04442	14.5
105.07016	6.5
107.08578	9.4
107.47136	0.6
109.02858	2.2
109.06512	3.5
109.10159	2.5
111.08060	1.4
113.09586	0.8
119.08528	1.5
120.06593	0.9
120.08103	2.3
121.06530	1.6
121.10143	8.6
123.08049	3.6
123.11663	1.7
127.03867	3.2
129.10191	1.1
131.04935	1.0
131.08551	0.9
133.10088	3.5
135.08047	1.9
135.11684	1.6
137.09581	1.5
139.11194	1.1
145.04984	0.9
145.10110	4.4
147.11668	1.8
149.09604	100.0
150.09927	3.2
151.03857	1.2
151.11168	1.6
153.09064	0.7
163.07549	0.8
163.11169	7.4
164.11578	0.8
165.05460	0.7
165.12584	0.8
167.10635	3.5
169.08531	6.5
169.12260	1.8
173.13211	1.3
181.12178	2.4
183.13773	3.7
191.10622	4.9
191.14275	6.6
191.19012	0.7
209.11723	3.8
209.15359	14.3
210.15680	1.4
213.19276	0.7
227.12869	7.9
227.16371	17.2
237.55783	0.7
331.34055	0.7
345.15195	2.2
357.10748	0.9
389.13895	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	389.2164
Annotation	Debiloside B
Peak:m/z	Relative Intensity
54.60817	1.4
55.05490	7.0
55.12659	1.6
57.03420	1.6
67.05474	6.0
69.03429	9.1
69.07050	7.5
70.14577	7.8
71.04984	4.7
79.05465	5.8
81.03400	2.0
81.07043	18.9
83.04962	7.1
83.08607	2.6
85.02888	8.8
85.06527	7.6
91.05457	7.6
93.07025	27.2
95.04924	3.8
95.08595	19.4
97.06535	10.8
99.04442	2.3
99.08100	7.9
105.07020	15.9
107.04955	2.1
107.08579	69.5
108.08870	2.2
109.06509	10.8
109.10139	17.6
111.08064	4.7
113.09593	2.2
117.06953	2.2
119.08566	13.0
121.06474	6.3
121.10132	34.0
123.08052	14.8
125.09592	4.1
131.08557	11.7
133.10117	32.4
135.08022	10.2
135.11655	5.0
137.09592	11.1
139.11162	15.7
143.08545	2.3
145.10081	7.0
147.11661	10.1
149.09599	15.6
149.13242	39.8
151.11153	14.1
153.09082	4.0
158.10881	2.6
161.13231	6.4
163.14812	16.9
165.12669	2.2
167.10686	5.4
173.13254	27.5
177.48969	1.5
179.14281	4.8
188.46297	1.9
191.14287	75.4
191.16052	3.6
199.08583	1.8
204.26871	1.9
209.15335	43.1
210.15561	2.8
223.28979	1.7
227.16391	100.0
228.16814	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	389.1805
Annotation	Tuberonic acid glucoside
Peak:m/z	Relative Intensity
53.03936	5.9
55.01860	2.1
55.05505	14.1
55.21975	0.7
57.03422	3.4
57.12522	0.7
61.02910	1.5
67.05495	4.8
69.03422	20.2
69.07059	3.6
69.51711	6.5
70.06580	4.3
71.01330	1.1
71.04634	1.0
71.04987	9.1
71.08624	0.9
72.08154	0.8
73.02886	1.3
74.40980	0.7
79.05483	4.8
81.03413	33.0
81.07041	7.6
83.04960	3.5
83.08626	6.7
83.53969	0.7
84.04491	0.9
84.08144	2.2
85.02895	55.4
85.06521	2.2
86.09699	2.3
91.05487	4.9
93.07031	6.1
95.04965	2.8
95.08600	6.5
97.02882	7.1
97.06522	3.3
97.10144	0.9
99.04443	29.5
99.08072	1.3
99.95161	0.7
103.03931	62.1
105.07008	4.0
107.04964	2.0
107.08588	4.7
109.02862	20.8
109.06481	1.5
109.10180	1.9
110.07132	0.8
111.04431	1.9
111.08068	7.2
113.05954	0.7
113.09627	0.9
115.03902	1.7
116.01624	1.2
117.07006	1.9
118.33815	0.7
119.08599	3.7
120.08119	2.1
121.06483	2.0
121.10145	3.5
123.04425	2.3
123.08039	3.0
123.11705	1.1
125.09608	1.1
127.03903	100.0
128.04276	1.3
129.10229	0.9
131.08562	1.8
133.10121	1.9
135.04343	0.9
135.08035	2.8
135.11670	1.3
137.04065	0.6
137.05930	1.4
137.09604	1.3
139.07503	4.4
141.09068	6.0
145.04950	14.0
145.10095	2.3
147.08020	0.7
147.11707	2.9
149.09581	1.4
151.03877	5.9
151.07510	2.3
151.11214	1.0
161.09538	0.8
161.55896	0.7
162.02185	1.8
163.06032	2.9
163.07407	0.9
163.11136	2.7
165.09056	0.9
165.12761	1.6
167.10712	1.7
169.08665	3.6
169.09982	0.9
175.11166	1.0
178.06250	3.4
179.10663	1.1
187.06032	6.4
191.10609	3.4
191.14349	1.3
193.04916	1.3
193.12213	1.8
196.07304	2.1
209.11703	9.6
209.14972	0.7
227.12711	3.8
227.16373	1.4
237.44063	0.8
253.06996	3.7
256.09845	0.8
269.13785	9.2
271.08118	3.2
287.14783	1.0
308.13214	1.6
357.10947	1.0
372.14624	1.6
378.43036	0.7
389.17685	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	389.18
Annotation	Tuberonic acid glucoside
Peak:m/z	Relative Intensity
53.03935	12.9
55.01853	4.7
55.05493	5.1
57.03429	9.8
57.07063	2.0
60.04499	1.5
61.02909	3.7
65.03922	1.6
67.05502	6.2
69.03071	1.4
69.03419	16.7
69.07060	12.2
70.06582	2.2
70.88080	3.4
71.04984	27.9
71.19308	1.2
72.08144	1.5
73.02902	2.0
79.05476	14.9
81.03405	76.2
81.07041	20.7
83.04961	3.0
83.08583	2.2
85.02901	18.0
85.06517	6.1
86.09697	3.8
87.04451	1.4
89.36658	1.3
91.05461	10.9
93.07027	49.5
95.04952	5.1
95.08604	11.4
97.02872	4.1
97.06499	9.1
97.10155	1.3
99.04440	100.0
100.04735	1.9
103.05418	1.7
105.07016	19.5
107.04936	2.1
107.08575	42.0
109.02866	60.8
109.06500	17.8
109.10137	6.2
111.08060	12.8
113.09612	1.6
113.86321	1.1
117.06998	2.8
119.08566	8.7
120.08104	1.3
121.06473	13.7
121.10126	28.1
121.11685	1.0
123.08070	8.5
123.11687	5.2
125.05932	1.5
125.09608	7.0
127.03898	22.8
127.07510	2.7
130.07762	1.9
131.04880	2.2
131.08582	3.8
131.18649	1.2
133.10133	6.6
135.08049	6.8
135.11676	11.3
136.73036	1.1
137.09589	2.7
139.07600	1.3
139.11165	3.1
145.04912	8.5
145.06538	1.2
145.10100	19.2
147.11665	5.3
149.09593	21.2
149.13252	3.3
151.03851	3.0
151.07518	3.2
151.11192	2.8
153.09055	2.7
162.31276	1.2
163.07578	1.4
163.11162	39.9
163.14796	2.4
164.11530	1.3
165.12729	2.5
167.10658	45.4
169.08583	18.8
169.12206	4.5
173.09576	4.0
173.13228	4.3
178.06256	2.6
181.12244	12.1
183.13811	11.0
185.11720	10.0
187.06001	5.8
191.10634	34.0
191.14243	7.7
205.07050	98.5
206.07379	2.5
207.27148	1.4
209.11713	15.3
209.15303	11.8
219.13425	1.6
227.12842	30.5
227.16368	58.4
311.83554	1.2
331.13843	2.0
353.15884	6.2
371.16882	17.2
389.13586	1.6
389.18018	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.12
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01833	0.9
55.05492	3.5
56.05030	0.9
61.02912	1.0
62.79383	0.7
67.05495	2.2
69.03407	2.5
69.07058	2.3
70.06584	2.1
71.04968	0.9
71.63354	1.3
79.05457	1.1
81.03407	2.9
81.07034	3.2
83.04951	2.1
83.08596	2.5
84.04524	1.0
84.08130	1.5
85.02900	1.6
86.06046	1.6
86.09699	1.0
87.04462	4.8
88.04808	1.4
91.05456	1.7
93.07018	1.9
94.06570	0.8
95.04933	1.7
95.08593	3.0
97.06537	1.1
97.10210	1.2
98.06032	5.4
99.06380	1.0
105.07001	1.7
107.04953	0.8
107.08492	1.6
109.10138	1.6
111.04404	1.4
116.07089	1.0
119.08537	1.1
120.08088	0.9
121.10122	2.7
122.06034	0.9
123.04390	1.2
124.07592	1.2
128.07100	0.7
129.06580	1.0
129.10223	1.0
131.08620	1.1
133.10117	1.2
140.07065	2.3
147.11649	0.7
160.43106	0.7
176.64919	0.8
185.04189	8.6
185.13274	0.9
192.10881	1.1
204.13794	2.5
227.06731	13.6
243.21471	1.6
263.07507	1.1
306.23984	0.8
307.11588	1.0
353.25134	1.8
371.18839	1.1
371.26163	3.5
388.26978	9.5
389.12006	100.0
389.27231	43.1
390.12274	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	389.1799
Annotation	Tuberonic acid glucoside
Peak:m/z	Relative Intensity
53.03927	2.4
53.90706	1.2
55.01838	1.2
55.05499	4.4
65.94843	1.2
67.05489	8.1
69.03419	3.9
69.07053	1.9
71.04988	6.2
71.08058	2.4
78.34398	1.2
79.05473	9.0
81.03406	10.0
81.07045	7.6
83.04973	3.2
85.02885	2.0
91.05466	5.7
93.07024	31.6
95.04963	4.2
97.06496	3.8
99.04440	23.1
101.06036	2.9
103.41962	1.3
105.07010	43.7
106.07340	3.0
107.04966	1.4
107.08572	36.3
109.02868	6.8
109.06512	2.5
109.10197	1.2
117.07011	3.6
119.08568	16.8
121.06480	25.0
121.10115	41.8
123.08093	1.6
130.07776	1.3
131.08549	5.3
133.10182	1.3
135.08029	14.7
135.11662	10.4
140.78986	1.3
145.10097	44.7
147.11685	5.5
149.05991	2.9
149.09589	10.9
153.09076	1.7
155.08504	2.0
161.05128	1.2
163.11153	84.1
164.11546	2.0
173.09613	9.6
181.12198	23.7
191.10638	100.0
192.11029	3.2
209.09755	1.7
209.11693	29.8
227.12733	40.6
227.14880	2.3
249.75494	1.2
353.15829	14.4
371.16953	14.6
389.18085	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	388.3567
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76102	0.1
59.78775	0.2
69.49523	1.1
86.30109	0.2
98.21504	0.3
105.38622	0.2
107.07268	0.2
118.06527	3.3
118.27720	0.1
119.48643	0.2
120.08135	0.2
131.89478	0.2
132.08055	1.8
133.08841	0.5
134.09607	0.2
144.08041	0.2
146.09625	3.9
151.09900	0.3
160.11218	0.5
162.09117	6.7
163.09586	0.3
164.10696	0.2
165.49878	0.2
172.11217	0.2
174.09180	0.4
174.12805	0.3
175.09924	0.2
176.10680	3.8
177.11398	0.9
178.12349	0.2
188.10808	0.2
188.14359	0.2
190.08647	0.7
190.12228	7.7
191.12697	0.3
202.15991	0.2
204.10117	0.2
204.13795	1.7
216.17455	0.3
218.11760	0.5
218.15349	0.3
218.19041	0.4
230.19061	0.4
232.17017	0.6
238.38293	0.2
244.20628	0.3
246.18497	0.7
246.22253	0.3
247.30232	0.2
258.22202	0.2
260.20123	0.5
260.23749	0.2
262.21597	0.2
272.23709	0.2
274.21591	0.5
288.23148	0.5
344.33096	7.7
345.33237	0.6
361.78357	0.1
370.34686	0.3
388.35718	100.0
389.36099	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	388.3564
Annotation	Unknow
Peak:m/z	Relative Intensity
57.57713	0.2
65.84409	0.2
66.67144	0.2
69.55793	1.6
81.68295	0.2
98.20718	0.3
107.07286	0.3
118.06525	3.3
120.08107	0.3
124.79869	0.2
131.07281	0.2
132.08052	2.5
133.08838	0.8
144.08051	0.5
146.09634	4.9
151.09865	0.2
160.11201	0.9
162.09106	5.4
163.09660	0.2
174.09126	0.3
174.12726	0.3
176.10678	5.2
177.11377	0.8
188.14342	0.3
190.08606	3.7
190.12219	9.0
191.12683	0.3
202.15785	0.4
204.10155	1.5
204.13780	1.4
205.10892	0.3
216.17511	0.3
218.11732	2.8
218.15315	0.7
218.18823	0.2
219.11987	0.2
230.19006	0.5
232.13234	0.7
232.16907	0.9
232.20563	0.4
244.20732	0.3
246.18481	0.6
246.22054	0.4
258.22440	0.2
260.20010	0.6
260.23502	0.2
274.18063	0.3
274.21576	0.4
274.25034	0.2
288.19730	0.4
288.23013	0.9
302.24850	0.3
302.28308	0.4
316.29779	1.2
320.50900	0.2
344.33035	7.9
345.33243	0.5
388.31754	19.5
388.35648	100.0
389.32050	2.6
389.36005	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	388.3201
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	0.6
57.07070	1.6
58.71908	0.2
67.05480	0.9
69.03403	0.5
69.07048	0.5
69.44905	0.2
69.85893	1.4
74.76361	0.2
76.61552	0.2
79.05462	0.5
81.03368	0.4
81.07018	0.4
82.03717	0.3
84.77640	0.2
85.02901	0.2
87.04456	13.9
91.05461	0.9
92.05803	0.2
93.07023	0.5
95.08536	0.2
105.06999	0.3
107.07268	0.4
107.08543	0.3
118.05682	0.4
118.06528	7.7
119.04882	0.3
128.06097	0.4
129.06996	0.6
131.08517	0.2
132.08075	4.0
133.08800	0.9
142.07320	0.3
143.08563	0.2
144.08000	0.5
145.06464	0.4
146.09625	8.2
160.11198	1.3
165.06976	0.3
166.07477	0.3
169.99585	0.2
174.12730	0.5
178.07732	0.3
179.08247	0.4
188.14290	0.7
191.08263	0.4
192.08832	0.3
202.07765	0.6
202.15901	0.8
203.08238	1.1
204.10233	0.7
204.17461	0.4
215.08658	0.5
216.09012	0.4
216.17468	1.0
218.19041	0.6
227.08450	0.6
228.09006	0.7
229.09727	0.9
230.10422	0.3
230.19060	0.7
231.07915	0.3
232.13306	0.8
232.20520	0.4
234.09927	0.3
241.09959	0.3
242.10497	0.3
243.11388	0.3
244.11948	0.3
245.09492	0.5
246.09755	0.6
256.12006	0.3
272.11584	0.3
302.28378	43.5
303.28629	2.3
370.22012	0.3
388.23386	3.4
388.32025	100.0
389.24170	0.5
389.32379	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	388.3566
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78371	0.1
52.40343	0.1
52.40630	0.1
66.59509	0.1
70.53496	0.3
70.53869	0.2
85.76670	0.2
106.06530	0.1
107.07301	0.2
118.06517	2.7
119.07307	0.2
120.08060	0.1
121.08724	0.1
130.06548	0.2
131.07213	0.2
132.08057	1.6
133.08788	0.4
144.08034	0.5
146.09604	4.2
147.09956	0.2
151.09924	0.3
160.11189	0.7
162.09102	5.1
163.09840	0.2
174.09129	0.2
174.12811	0.2
176.10666	5.0
177.11400	1.0
188.14351	0.4
190.12225	8.5
191.12648	0.2
202.15868	0.3
204.13789	1.7
208.95918	0.1
216.17485	0.2
218.15359	0.5
218.19031	0.4
230.19073	0.2
232.16869	0.8
232.20561	0.2
244.20564	0.3
246.18504	0.7
246.22217	0.4
260.20065	0.5
260.23331	0.1
274.21643	0.6
288.23184	0.5
290.24670	0.3
302.24866	0.2
302.28360	0.3
316.26382	0.2
344.33038	7.8
345.33319	0.7
351.78915	0.2
370.34555	0.3
388.35651	100.0
389.35995	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	388.2324
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46354	1.9
55.01864	2.2
55.05492	5.0
57.07033	2.0
67.05483	5.2
69.03404	3.5
69.07053	5.5
70.06573	10.1
71.04984	15.0
71.06914	3.4
71.62026	3.0
72.08129	3.4
75.29733	1.5
76.34029	1.7
76.90635	1.6
79.05479	5.8
81.07039	7.4
82.53723	1.7
83.04953	1.6
83.08617	3.6
83.37769	1.8
84.08143	4.4
85.02892	3.8
85.06544	9.3
86.09730	1.7
91.05452	7.5
93.07021	10.3
95.04961	2.9
95.08603	14.6
97.02872	1.8
97.06512	21.0
101.64959	1.4
105.06996	12.9
107.04954	2.8
107.08585	19.9
109.06490	6.6
109.10128	3.4
110.07175	2.0
111.08077	4.4
119.08546	9.5
120.08081	3.0
121.10119	31.4
123.04450	3.1
123.08089	2.6
130.04971	2.9
131.08569	8.5
133.10110	96.4
134.10432	2.4
135.08020	14.1
137.05963	2.2
139.03888	1.9
145.10098	6.3
147.11678	16.8
149.09576	4.1
149.13226	15.7
158.10841	3.6
163.03889	4.3
163.11211	4.9
173.13235	26.0
182.81509	1.7
191.14272	100.0
192.14615	3.3
209.15295	2.0
228.82118	1.7
239.18109	1.7
388.23294	9.6
388.37555	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.3052
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.6
55.05502	3.6
57.07066	0.8
67.05497	7.7
69.03408	0.7
69.07066	3.3
70.06602	1.0
71.04965	1.2
71.63097	0.9
77.52275	0.6
79.05479	3.5
81.07046	8.1
83.08600	2.4
87.04458	12.8
91.05451	1.6
93.07041	3.8
94.72503	0.5
95.04958	0.9
95.08598	6.5
97.10139	2.2
105.06994	1.4
107.08572	3.7
109.10148	4.2
117.06981	0.8
118.06527	7.5
119.08585	1.2
121.10126	2.1
121.50684	0.5
123.11701	0.9
124.62652	0.6
125.09641	1.1
131.08553	1.3
132.08083	2.9
133.08888	1.1
133.10126	0.7
134.09570	0.6
135.08136	0.6
135.11674	2.3
137.13232	1.0
137.35149	0.5
145.10098	0.8
146.09610	6.2
149.13232	1.1
153.12718	0.7
159.11624	0.8
160.11208	1.8
163.14771	0.6
173.11763	0.9
173.13191	1.0
174.12764	0.6
189.11293	1.1
190.01892	0.6
190.08633	0.7
203.18936	0.6
204.10201	0.8
210.74689	0.6
218.11711	1.0
227.12848	1.0
232.13266	0.6
233.22516	0.6
242.27589	0.5
243.21025	1.2
245.13811	0.7
261.22119	3.3
264.30643	0.7
274.25360	1.2
276.37082	0.7
279.23193	5.3
302.28387	40.5
303.28781	2.8
318.31488	1.9
353.26773	6.3
388.32016	100.0
389.32391	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	388.2323
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	2.1
55.01857	2.1
55.05289	1.1
55.05505	10.2
56.05030	1.2
57.03431	1.8
57.05796	0.9
59.04988	1.1
60.76764	1.0
61.02905	1.5
67.05497	6.0
69.03416	5.2
69.07055	5.8
70.06566	5.0
71.04980	3.0
71.62843	1.4
72.08146	100.0
73.02919	1.2
73.08465	1.2
79.05472	7.2
81.03423	4.6
81.07047	14.3
83.04977	7.1
83.08597	2.5
84.08125	2.1
85.02895	11.6
85.06509	1.6
86.09676	3.8
87.00813	4.8
87.04472	1.1
91.05452	6.1
92.70542	0.9
93.07034	17.0
95.04941	5.1
95.08601	11.5
97.02884	5.8
97.06514	10.4
98.06009	1.7
99.04441	4.2
105.01878	6.1
105.06373	1.3
105.07018	13.6
107.04940	2.1
107.08585	9.0
108.04474	1.1
109.02869	3.8
109.06519	6.1
109.10125	5.0
111.08069	8.6
117.06987	1.2
118.08644	31.7
118.57269	0.9
119.04904	1.0
119.08574	6.1
120.08098	2.1
121.06491	9.9
121.10137	3.0
123.08070	4.9
123.11695	3.3
123.94724	1.0
125.05977	6.7
127.03898	9.5
127.07550	1.7
129.01834	1.3
129.06975	1.9
129.91647	0.9
131.08563	2.2
133.06427	1.3
133.10121	8.0
135.04352	1.5
135.08037	4.3
137.05957	7.1
138.06277	3.8
139.07471	5.7
141.05412	1.6
141.06935	1.2
142.08644	1.2
143.07005	3.8
143.08569	2.2
143.78148	0.9
145.04964	6.1
145.10107	4.4
147.08009	2.3
147.11670	13.3
148.11980	1.1
149.13287	1.6
151.11147	1.7
157.08685	1.5
157.10103	3.5
159.02867	3.1
159.06564	1.3
161.13220	3.2
163.03952	1.4
163.11122	2.6
165.09172	1.3
165.12714	4.0
167.07037	1.3
168.13745	1.5
169.12170	6.1
171.11644	3.3
175.11165	9.9
178.16670	0.9
181.05032	1.4
181.10147	1.2
189.09018	1.3
189.12744	8.3
191.07101	1.1
191.10657	2.4
191.14339	1.4
193.12238	7.8
196.13344	1.6
199.11223	4.6
201.25610	0.9
207.13826	1.1
209.11649	1.7
211.13254	5.6
214.14404	1.2
217.12189	12.4
229.14352	3.4
231.04985	3.4
231.10222	1.3
235.13258	5.8
242.13979	1.0
252.15982	1.8
253.14375	5.1
270.16919	4.3
280.22665	4.3
282.20612	2.3
288.19528	6.7
293.54977	1.1
306.20612	15.6
307.20914	1.6
308.22214	1.3
310.20221	1.3
324.21661	31.4
325.22003	1.6
326.23047	1.6
328.21182	1.9
334.20117	3.1
342.22699	11.1
343.07086	1.0
343.23358	1.0
352.21069	9.2
358.13535	1.2
370.22144	15.7
388.14645	3.0
388.23688	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	388.1594
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	1.4
55.01854	1.6
55.05500	0.9
56.96541	0.6
57.03421	0.7
57.91575	0.4
67.05502	0.7
69.03407	3.2
69.07049	0.6
70.06574	2.0
71.04974	0.9
71.63013	0.6
72.08147	0.7
73.02910	1.1
79.05470	3.8
81.03412	3.8
81.07044	1.2
84.04446	0.4
84.07673	0.4
84.08134	1.5
85.02895	10.4
86.09681	1.4
87.00804	2.9
87.04448	0.4
91.05463	1.6
93.07054	2.2
93.07571	0.4
95.04956	2.1
95.08588	0.9
97.02875	3.7
97.06512	0.5
99.04444	2.9
100.11251	1.2
103.05468	1.5
103.91102	0.4
105.01860	5.5
105.07014	100.0
106.07348	2.8
107.04903	0.6
107.08588	2.8
108.04506	0.9
109.02859	2.6
109.06535	0.5
109.10105	0.5
110.06028	0.4
115.03841	0.4
119.08563	3.1
121.06484	1.3
121.10113	2.2
122.09673	0.5
125.02357	0.4
127.03899	6.7
129.01799	0.5
129.10193	0.6
131.04900	1.4
131.08522	0.6
133.06544	0.6
135.08051	1.4
135.11684	1.1
137.05901	0.5
143.03400	1.0
143.08557	1.3
145.04944	3.4
145.10112	3.1
147.08022	1.8
149.09601	0.9
157.10129	0.8
159.02901	1.7
159.08029	1.3
163.03923	0.7
163.11166	5.1
167.07069	0.7
171.08035	1.0
173.09563	0.7
175.07385	0.5
181.12209	1.6
183.08104	0.4
185.09602	0.9
189.03911	1.5
189.09102	1.4
191.10660	4.6
191.14375	0.9
195.08075	1.2
209.11751	1.7
209.15442	1.2
213.03838	0.6
213.09030	1.9
226.08293	0.5
227.12781	1.7
230.06654	0.4
231.04907	2.1
231.10153	1.6
235.07153	0.5
241.09673	0.4
248.07683	0.6
249.06273	0.4
249.11111	0.6
283.10724	0.5
308.09991	0.5
320.09988	0.8
329.11292	0.8
338.10962	1.1
353.16013	0.7
357.10931	0.6
388.15637	0.5
388.24194	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.1595
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.5
55.01861	1.5
57.03414	0.4
61.02900	0.9
61.62879	0.4
69.03419	1.9
70.16089	1.7
70.58642	0.3
72.22189	0.3
81.03407	1.0
84.08148	0.5
84.76267	0.3
85.02891	9.8
86.09715	0.6
87.04440	0.4
87.72127	0.3
89.59888	0.3
97.02863	2.8
98.21431	0.4
107.04935	100.0
108.05275	2.1
109.02870	0.6
115.03908	7.5
119.17271	0.4
120.08066	0.6
127.03892	1.7
139.09570	0.3
145.04962	2.0
145.06432	2.5
149.05965	1.0
163.03856	0.5
165.09108	4.5
180.08676	1.0
191.07001	5.2
192.11021	0.4
195.06522	0.5
201.72281	0.3
209.08054	14.2
226.10579	0.5
343.15955	0.4
388.16513	0.5
410.09677	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.1597
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09465	1.9
53.03946	8.8
55.01851	8.8
56.79917	1.9
57.03415	7.1
61.02915	4.7
63.27975	1.8
66.45218	1.9
68.99781	2.9
69.03064	3.0
69.03418	33.3
70.06577	5.0
70.21943	8.9
71.04972	7.6
73.02897	6.0
73.64969	2.1
79.05479	4.7
81.03398	24.0
81.07043	2.1
84.08129	3.5
85.02895	100.0
86.03207	1.9
86.09700	3.7
87.00818	40.2
90.30981	2.0
91.05457	4.9
93.07009	3.4
97.02876	29.7
98.20852	2.3
99.04429	15.4
105.01851	83.7
105.07014	91.0
106.07336	2.9
107.04882	1.9
108.04491	2.7
109.02863	30.2
117.01796	3.1
119.08583	4.3
121.06492	2.0
121.10136	3.5
127.03902	80.8
129.01814	4.7
129.10199	2.4
131.04823	2.9
143.08574	1.8
145.04948	41.2
145.10112	5.5
147.02797	3.3
147.07973	2.6
159.02878	17.7
163.11189	5.9
167.06999	2.5
181.12227	2.4
189.09134	3.2
191.10605	5.7
209.11603	3.3
213.03967	4.3
213.09082	3.6
227.12709	2.0
231.04959	32.3
248.07521	2.8
249.06059	14.8
334.91049	2.1
343.21594	1.9
388.11081	2.3
388.15860	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	388.1597
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.1
55.01864	8.5
55.05503	1.5
57.03428	5.1
59.05009	1.0
60.04514	1.2
60.35737	0.5
61.02915	5.8
67.05501	1.6
68.99781	2.5
69.03419	34.3
69.07066	1.3
69.77650	0.6
70.03734	0.7
70.06568	3.0
70.88132	0.8
70.88479	1.2
71.04989	5.8
72.08138	1.7
73.02905	6.2
79.05487	2.5
81.03409	22.8
81.07048	3.8
82.03736	0.7
83.05002	0.9
84.04491	0.8
84.08133	2.0
85.02895	100.0
86.03248	1.3
86.09703	2.7
87.00821	37.1
87.04477	1.3
87.40088	0.6
91.03943	1.7
91.05466	6.3
93.07019	4.0
93.92045	0.6
95.04967	1.5
95.08611	1.3
97.02882	32.4
97.06518	1.1
97.10194	0.7
98.06052	0.8
99.04441	15.6
99.08067	1.5
101.02364	0.9
103.03937	0.7
103.05465	1.0
105.01853	74.4
105.07019	25.9
106.02190	0.9
106.07338	1.2
107.04935	1.4
107.08568	2.6
108.04455	3.4
109.02866	30.0
109.06497	1.2
109.10116	0.9
115.03966	1.3
117.01844	2.3
117.06992	1.0
118.16367	0.5
119.08546	3.6
120.08868	1.3
121.06485	2.1
121.10099	3.6
121.64586	0.6
123.08042	1.2
123.11634	1.1
124.63969	0.6
126.05514	1.1
127.03902	75.5
128.04266	1.4
129.01791	2.9
130.01453	0.5
131.04929	0.7
133.06482	0.8
133.10129	1.3
135.08025	2.0
135.11665	1.4
137.05949	0.8
141.01926	0.8
145.04942	37.5
145.10118	3.9
147.02861	2.0
147.11678	2.5
148.12025	1.6
149.09590	1.4
153.09015	0.9
159.02864	14.6
161.09674	1.0
163.03920	1.4
163.05949	0.9
163.11191	5.1
165.12733	1.1
166.13097	1.5
171.02873	0.9
173.09540	0.8
177.03899	1.5
177.05383	0.8
181.12256	1.8
189.03941	4.0
191.10631	4.8
207.10094	1.3
207.13783	1.9
208.10464	1.2
208.14188	2.8
209.11720	2.2
209.15314	1.5
213.03877	3.9
213.09073	1.6
226.15057	1.1
227.12781	1.6
230.06552	1.4
231.04970	27.8
231.10051	1.7
232.05333	0.8
248.07632	2.1
249.03455	0.7
249.06027	14.0
257.08157	0.8
266.08807	1.0
286.14536	0.6
293.09119	1.0
313.11752	1.0
335.11139	0.8
353.12024	1.0
353.15817	1.1
373.13617	0.7
386.53537	0.6
388.15781	3.9
388.20435	1.2
389.12979	0.8
389.17545	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2311
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	3.8
54.07338	1.8
55.01863	11.3
55.05519	10.4
57.03426	3.1
57.07067	39.1
65.03922	3.1
65.86231	1.8
67.05497	13.3
69.03413	8.9
69.07053	6.1
71.04966	2.7
71.08607	3.5
71.60673	2.0
71.61030	2.2
79.05499	13.8
81.03401	13.3
81.07044	12.8
83.04922	2.5
83.08607	2.9
85.02894	4.0
87.04456	5.6
91.05476	16.3
93.03370	4.2
93.07014	4.6
95.00526	2.3
95.04944	7.8
95.08594	9.6
97.02891	2.8
103.05444	4.6
105.06999	10.9
107.04958	6.8
107.08576	3.7
109.10135	4.3
113.92694	2.1
115.05446	8.6
115.08619	2.4
116.01417	1.9
117.07011	5.1
118.06539	4.7
119.04902	2.6
119.08568	5.2
121.10044	2.5
123.11708	2.5
127.11209	2.3
128.06203	5.9
129.06996	8.3
131.04904	5.6
131.08545	4.0
133.06468	3.5
133.10101	3.1
141.06998	8.6
143.08549	3.8
145.06464	5.0
146.09636	6.8
147.04353	2.2
150.99188	2.1
152.06221	4.2
153.06990	6.0
154.07776	3.0
155.08513	6.8
155.25771	2.2
157.06528	2.8
157.10123	3.0
159.08028	2.5
160.11131	2.0
165.06990	16.6
166.07820	4.2
167.08531	8.3
168.05748	2.1
169.06490	3.8
169.10097	2.9
171.08034	3.0
177.12785	3.7
178.07710	11.2
179.08525	9.0
181.06583	2.8
183.08109	5.7
183.11613	2.1
189.07011	8.2
190.07751	10.8
191.08551	14.1
192.09189	2.9
193.10162	5.0
194.07175	2.3
195.08051	6.7
197.09659	2.8
199.30687	1.9
202.07727	39.1
203.08484	25.1
204.09337	6.9
205.06554	2.8
205.10139	10.6
207.08054	3.0
207.11708	3.2
209.09654	2.0
210.06863	2.1
210.10349	2.1
214.07750	2.4
215.08511	32.4
216.09256	15.3
217.10138	18.6
218.07253	3.5
218.10843	5.0
219.08015	10.4
219.11571	4.4
220.08830	3.4
221.09496	4.0
226.07704	11.5
227.08476	18.2
228.09267	22.9
229.10080	15.1
230.10579	3.5
231.07967	9.7
231.11658	6.2
232.08749	4.6
233.09647	7.8
239.08501	11.9
240.09296	7.6
241.10133	15.2
242.10815	7.6
243.08000	5.8
243.11710	16.7
243.17314	2.5
244.08772	3.0
245.09599	16.5
246.10364	6.1
247.11224	7.3
252.09491	4.9
253.10097	6.5
254.10687	2.8
255.08015	4.3
255.11627	4.5
256.12326	2.3
257.09546	5.8
257.13226	3.1
259.11154	9.2
261.08893	2.2
261.12729	7.7
269.09616	7.2
270.10297	4.6
271.11166	9.1
273.12573	3.7
283.11206	3.9
285.12714	3.6
288.10919	3.0
289.12119	4.4
297.13379	2.1
302.28336	27.1
331.20663	3.7
341.22891	5.0
359.23608	5.2
369.22098	13.5
387.23032	100.0
387.34082	3.2
388.23975	9.9
388.31976	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	387.2007
Annotation	(6R)-9,10-Dihydroxy-4,7-megastigmadien-3-one-9-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
53.03931	3.0
55.05492	5.3
57.03426	4.6
59.04987	8.1
61.01137	4.4
61.02915	2.9
63.07842	1.7
67.05492	7.8
69.03415	14.5
69.07047	5.0
70.06580	72.6
70.96891	1.8
71.04975	6.4
71.06905	7.7
71.63377	3.1
72.08144	8.2
73.02907	2.1
76.02206	1.9
79.05487	8.8
81.03416	10.1
81.07042	14.4
83.04980	5.0
83.08606	3.6
84.08128	11.9
85.02890	20.0
86.09688	10.4
87.04463	4.4
88.77554	1.7
91.05467	12.8
93.07029	24.1
95.04951	4.1
95.08592	10.7
97.02899	8.9
97.06513	4.9
99.04439	6.3
101.05998	8.5
103.05442	2.6
104.19986	1.9
105.03384	2.0
105.07013	40.6
107.04956	4.1
107.08577	34.6
109.02860	6.7
109.06503	7.3
109.10134	7.6
110.15221	1.7
111.08067	3.4
112.51256	2.0
115.84965	1.8
116.07056	8.9
117.06999	3.9
118.06863	9.1
119.08569	13.6
121.06483	5.4
121.10120	5.9
122.02701	3.0
123.08063	15.2
123.11694	3.3
127.03899	6.8
129.06973	2.6
129.10233	5.4
130.06502	3.3
131.04854	1.7
131.08582	3.4
133.06461	5.9
133.10109	24.4
135.08047	3.7
135.11642	2.5
137.05959	11.5
137.09604	9.4
143.08589	5.1
145.04933	6.4
145.10115	7.4
147.08026	6.2
147.11607	9.7
149.07439	3.6
149.09607	3.1
151.07526	6.9
151.11162	52.3
156.09268	2.0
159.09163	5.0
159.11650	2.1
161.05968	2.4
161.09601	25.9
161.13231	9.4
163.11150	13.7
165.09074	3.6
165.12798	2.7
167.07033	2.0
171.11580	3.1
174.96873	2.2
177.12773	4.0
179.10649	8.7
179.14345	4.1
181.12221	3.5
189.09126	11.6
189.12737	12.1
190.09474	3.1
191.10664	7.2
207.10246	5.6
207.13754	100.0
208.14128	2.8
209.11705	3.2
213.12361	3.0
225.11243	4.9
225.14807	53.1
226.15088	2.9
273.76526	1.8
315.18726	3.1
351.14285	2.6
358.70477	1.8
369.22662	10.0
387.23822	35.9
388.24298	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2005
Annotation	(6R)-9,10-Dihydroxy-4,7-megastigmadien-3-one-9-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
55.01865	4.0
55.05494	7.9
56.05013	3.8
57.03429	5.5
57.88363	2.0
60.04495	2.1
61.02913	4.2
67.05510	4.8
69.03416	22.7
69.07059	9.9
69.55701	1.7
69.56000	18.0
70.06581	23.3
71.04978	7.2
72.08148	27.7
73.02883	2.2
79.05486	8.9
81.03406	12.1
81.07024	11.3
83.04985	2.6
84.04511	10.1
84.08138	17.9
85.02901	46.4
86.09695	80.7
87.04443	3.2
91.03951	2.5
91.05466	17.7
93.07014	12.7
94.43372	2.4
95.04960	7.5
95.08582	7.5
97.02876	12.5
97.06477	2.6
99.04424	7.3
102.05534	3.0
103.05448	3.7
105.07016	21.5
107.08585	23.7
109.02873	5.6
109.06517	4.8
109.10136	8.1
110.07160	4.8
111.09105	2.1
114.05549	2.6
115.05436	14.3
116.07035	3.8
117.07006	17.3
119.08577	30.1
121.06483	8.8
121.10132	13.1
123.08063	33.4
125.05995	3.9
127.03893	12.4
128.07118	2.0
129.10223	6.4
131.04913	3.8
131.08539	7.7
133.06458	4.2
133.10109	14.6
135.07994	7.9
135.11688	10.4
136.07513	2.6
137.09595	11.0
139.07500	3.3
143.08540	3.1
143.11717	2.3
143.99872	2.7
145.04961	12.2
145.06456	9.2
145.10118	17.1
147.08061	5.2
147.11671	20.7
149.09579	6.5
151.07524	28.5
153.09175	2.7
156.09311	2.4
157.13312	3.9
159.11678	17.4
161.09436	9.6
161.13237	10.8
163.11168	100.0
165.09019	3.3
171.11594	5.0
173.05908	6.2
177.12724	4.4
179.03384	19.6
179.10594	4.0
180.03665	15.0
181.12184	29.4
185.12874	3.4
185.16505	2.2
189.09160	4.4
189.12680	26.8
191.07013	7.1
199.14487	2.8
199.18015	17.9
204.18779	2.1
207.10335	3.6
207.13782	93.9
210.11153	2.5
225.11195	3.5
225.14832	15.5
227.17548	13.8
298.21213	4.1
343.13516	4.2
369.19086	4.9
387.20154	17.0
387.27200	2.8
388.15591	3.3
394.09488	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	387.2006
Annotation	Staphylionoside A
Peak:m/z	Relative Intensity
53.03932	1.9
54.24278	1.0
55.01851	2.0
55.05504	6.6
57.03428	2.7
57.07099	1.0
62.83437	1.0
65.03929	1.5
67.05508	6.2
69.03421	11.2
69.07047	2.9
70.06589	7.0
70.29749	3.6
71.04970	3.0
72.08131	3.4
74.51898	1.1
79.05494	7.5
81.03393	3.2
81.07037	11.3
83.04953	2.0
83.30297	1.4
84.08125	2.9
85.02892	10.8
85.06540	2.4
86.09692	8.2
91.05463	8.5
92.87038	1.1
93.07035	29.2
95.04938	3.6
95.08592	9.2
97.02880	3.1
97.06503	2.0
98.20839	1.4
99.04433	2.9
99.08101	1.4
105.07011	12.8
107.04929	2.2
107.08584	32.2
109.02876	1.5
109.06493	8.3
109.10157	7.1
111.04403	1.4
111.08051	1.3
117.06978	2.4
119.08564	22.3
121.06487	15.2
121.10126	26.4
123.08053	24.6
123.11713	1.8
127.03909	3.2
129.06920	1.3
129.10193	2.2
130.07741	1.7
131.08536	3.5
133.06548	1.6
133.10117	9.0
135.08037	32.5
135.11674	19.8
137.05971	8.8
137.09610	19.8
143.08466	1.6
145.04883	1.4
145.10112	7.1
147.08026	14.4
147.11705	8.4
149.09583	7.6
150.42500	1.2
151.07515	5.3
151.11172	3.2
156.09322	2.5
159.11711	2.6
161.09587	4.9
161.13223	8.3
163.11142	22.5
165.09099	39.0
165.10504	2.3
165.12773	3.1
167.10680	4.6
168.21077	1.2
171.11655	2.7
174.10422	1.3
177.12683	8.4
179.10625	7.6
181.12213	42.4
189.12737	11.5
195.13745	1.7
207.10234	2.2
207.13776	40.6
222.26064	1.2
225.11217	2.8
225.14827	100.0
226.15109	2.9
263.66309	1.3
335.84717	1.3
369.15308	1.3
387.14841	2.3
387.19971	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	387.2005
Annotation	Glochidionionoside C
Peak:m/z	Relative Intensity
57.07042	4.3
67.05497	27.8
67.94859	3.0
69.03412	10.6
70.80488	7.5
70.80858	5.9
71.05017	2.8
76.34048	3.5
79.17237	2.9
81.07021	5.6
83.04978	3.3
85.02888	31.7
85.06526	15.3
93.07024	8.5
95.08586	100.0
105.07005	3.8
107.04913	3.2
107.08588	10.8
109.06495	3.1
109.10174	8.2
113.05978	14.0
119.08565	22.5
121.10098	8.2
123.08047	40.3
123.11691	24.2
125.05997	5.1
127.03874	5.1
133.06383	4.6
133.10059	3.0
135.11667	24.3
137.09558	5.1
139.07571	3.4
145.10118	3.6
147.11639	13.3
148.74124	3.8
149.09590	31.9
151.07474	4.0
151.14836	7.5
161.13232	12.9
163.11151	8.3
165.12698	8.8
167.10535	3.3
179.14301	5.3
189.12720	26.1
207.13771	94.8
225.14790	13.4
264.25302	3.3
294.11505	4.1
333.17017	5.7
336.46085	3.2
348.37866	3.9
351.18002	12.6
368.45877	3.1
369.18756	4.9
387.19998	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	387.1796
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01580	0.1
51.02369	0.2
53.03938	0.6
55.05496	0.2
57.03418	0.2
62.20471	0.1
63.48632	0.1
65.03931	0.1
69.03419	0.8
69.07081	0.1
69.97517	0.3
69.97913	0.2
77.03891	0.2
79.05051	0.2
79.05481	3.6
81.03404	0.7
83.04971	0.3
85.02892	0.3
91.05437	0.5
93.07034	1.3
95.04965	1.1
97.02878	0.2
103.05452	2.1
103.97894	0.1
105.07014	100.0
106.07348	2.3
111.04430	0.2
119.04929	1.8
121.06482	1.9
127.03910	0.2
129.05455	0.3
129.06999	0.1
137.06013	0.1
145.06572	0.1
147.06499	0.3
151.29099	0.1
154.16388	0.1
167.07043	0.1
175.01596	0.1
200.47610	0.1
203.07100	0.1
252.70338	0.1
331.12793	0.2
387.18158	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2007
Annotation	Staphylionoside A
Peak:m/z	Relative Intensity
55.05500	10.4
58.26098	0.8
60.04516	2.0
61.02909	1.2
61.04045	2.7
65.03924	0.9
67.05478	2.9
69.03424	6.4
69.07053	2.5
69.81789	3.1
69.82221	3.3
70.06573	4.0
70.60416	1.0
71.04977	3.6
71.29377	0.9
72.08152	1.6
73.75824	0.9
76.02227	1.2
77.67184	0.8
79.05474	2.9
81.03405	2.7
81.07040	3.2
84.04491	1.4
84.08137	2.0
85.02888	8.2
86.09692	3.4
89.05990	2.2
91.05461	6.7
93.07040	7.6
93.52193	1.1
95.04957	3.7
95.08587	3.6
97.02868	1.7
97.06528	3.1
99.04446	3.4
101.08334	1.0
105.07014	18.7
107.04964	2.3
107.08574	20.3
109.06521	2.7
109.10140	10.0
111.08125	1.0
117.07024	1.0
119.08562	39.7
120.08096	2.1
121.06499	6.3
121.10082	5.1
123.08045	51.3
124.77907	1.0
125.57684	0.9
127.03902	1.9
129.06958	1.4
131.08539	4.9
133.06456	2.7
133.10103	14.4
135.08014	9.6
135.11696	2.2
137.09599	10.7
143.08540	3.0
144.09286	1.8
145.10091	3.3
147.08014	7.0
147.11658	27.3
149.09583	4.1
149.13281	1.3
151.07532	2.6
152.45689	0.9
153.09128	4.0
156.09297	4.8
159.11664	28.6
161.09605	7.7
161.13237	20.3
162.02242	1.8
163.11119	2.9
165.09062	1.5
165.12622	1.1
167.10742	1.7
171.11670	4.2
172.12076	0.9
174.10275	1.2
177.12727	13.5
179.04776	1.4
179.10698	4.9
181.12224	1.5
186.60274	0.9
189.09105	2.9
189.12706	21.0
207.10304	3.1
207.13768	100.0
208.14076	3.3
225.11287	1.6
225.14851	11.6
349.79788	1.0
387.16098	3.9
391.03647	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.3775
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	0.2
55.79202	0.2
67.05482	0.2
71.09630	0.3
71.09992	0.3
72.81924	0.1
93.06979	0.2
99.24456	0.2
105.06969	0.2
107.07284	0.4
109.10170	0.1
120.08086	0.2
121.08875	0.7
130.11920	0.1
131.07306	0.2
131.08539	0.2
132.08072	8.3
133.08722	0.2
134.09628	0.4
144.08075	1.1
145.08832	0.6
146.09622	7.9
147.10423	1.5
158.09602	0.4
160.11192	13.3
161.11595	0.6
161.14865	0.1
174.12761	2.6
188.14297	0.8
202.15887	0.9
216.17380	1.1
216.63292	0.2
230.18979	0.8
232.20578	0.2
244.20517	0.8
246.21700	0.2
258.22119	0.9
260.23737	0.4
272.23703	0.8
286.25354	0.8
288.26816	0.2
300.27045	0.2
344.38162	0.2
386.37732	100.0
387.38083	8.8
398.34604	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.3776
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05494	0.2
71.34460	0.1
71.34801	0.2
73.37647	0.1
75.14701	0.1
75.91065	0.1
81.07024	0.2
95.08559	0.1
101.68044	0.1
102.27724	0.1
107.07333	0.2
110.86235	0.1
118.06536	0.5
121.08880	0.6
131.07268	0.1
132.08072	11.2
133.08704	0.2
134.09669	0.3
136.30974	0.1
137.95335	0.1
144.08061	0.9
145.08835	0.6
146.09633	6.6
147.10432	1.3
148.11215	0.3
158.09669	0.4
160.11197	12.5
161.11656	0.4
174.12764	2.7
188.14333	0.9
202.15880	1.3
216.17377	0.8
216.24513	0.1
219.25490	0.2
230.19052	0.8
232.06847	0.3
232.20532	0.1
244.20567	1.0
246.22092	0.2
258.22202	1.4
260.23703	0.6
272.23755	0.8
274.25348	0.2
286.25290	0.8
288.26758	0.3
300.26947	0.2
386.37753	100.0
387.38098	8.8
394.63089	0.1
405.11087	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	386.1437
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04488	0.8
61.02882	0.7
64.22432	0.8
67.81443	0.7
69.03396	0.8
69.07049	0.9
70.06574	9.4
71.62201	1.9
72.08146	3.9
77.40359	0.7
84.04475	2.4
84.08132	4.2
84.08539	0.7
85.02880	2.9
86.09688	5.8
91.05466	1.4
97.02896	1.1
104.34222	0.7
105.06995	1.2
110.07133	2.4
116.07048	1.5
119.08529	1.1
120.08094	1.3
123.04433	1.5
123.08005	0.7
129.10234	2.0
133.02826	3.0
133.10089	0.9
135.04396	1.8
143.11838	0.9
147.04425	0.9
161.09647	0.8
179.03366	100.0
180.03688	2.7
183.14859	0.9
207.13651	1.1
207.29054	0.7
227.18140	0.8
292.19904	0.9
385.72385	1.6
386.22116	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.2014
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87210	1.4
54.60782	1.2
57.03426	19.2
59.04995	4.7
60.04513	3.1
61.02912	5.3
69.03420	62.8
69.63317	11.1
70.06581	8.7
71.04971	1.4
72.08150	4.5
73.02931	2.6
75.04456	2.0
76.34402	1.3
81.03407	4.8
84.04546	1.4
84.08140	4.1
85.02891	86.3
86.09694	4.2
87.04455	51.4
91.03930	3.0
97.02876	56.6
97.03506	3.3
99.04440	2.7
109.02872	5.0
115.03910	76.5
127.03892	19.2
129.10197	3.3
133.04944	100.0
145.04930	40.4
147.04396	2.0
150.07596	12.8
157.04962	1.6
163.05994	26.9
169.04987	2.0
237.13350	5.1
259.08099	4.4
260.94400	1.4
277.09006	2.6
295.10349	4.0
329.73068	1.6
336.22729	1.5
338.57758	1.5
386.11218	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	386.2896
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	37.2
57.03429	26.2
57.07064	13.0
57.47281	9.1
67.05500	84.5
69.07036	22.7
70.38499	37.3
79.05480	84.0
80.05088	8.7
81.07047	81.3
83.04916	9.5
83.08598	23.5
85.06515	12.6
87.04447	19.3
91.05461	59.7
92.00613	9.9
93.07035	100.0
95.08603	73.0
97.10158	15.3
105.07023	69.0
107.08581	57.5
109.06445	11.2
109.10114	35.3
110.43711	9.9
111.08073	13.8
117.06977	29.5
119.08577	55.3
120.18676	8.9
121.10147	51.2
123.08070	13.0
125.09653	12.8
131.08560	28.0
133.10112	40.2
135.11664	38.6
137.09518	11.7
145.10098	21.5
147.11636	49.9
149.13232	18.6
157.10126	15.0
159.11620	16.5
159.43901	11.0
161.13274	14.2
171.11642	13.9
173.13246	14.1
175.14807	15.4
185.13318	12.9
187.14906	11.5
199.14746	12.0
205.15851	10.5
241.19455	24.6
259.20572	57.5
266.79376	9.5
277.21597	26.3
300.26825	19.8
326.13498	20.9
351.24893	50.8
386.25806	18.5
386.30392	54.6
386.37369	17.5
387.26773	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	385.2579
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.7
55.01861	3.7
55.05502	16.8
57.03420	2.5
57.07064	9.4
65.03928	2.7
67.05502	26.4
69.03414	5.1
69.07056	12.7
69.48480	4.6
69.48878	18.0
71.08607	14.6
71.77119	2.2
79.05489	20.0
81.07050	31.5
83.04978	8.9
83.06115	2.9
83.08594	5.5
85.06541	4.6
91.05461	16.9
93.07034	30.2
93.19128	2.5
95.04938	17.4
95.08604	21.2
96.05730	3.2
97.02878	12.8
97.06528	9.5
99.08090	9.2
105.07018	15.0
107.08575	12.5
109.06509	16.3
109.10149	10.4
110.07152	6.9
111.04415	13.6
111.05557	6.0
113.06010	6.7
117.07001	4.8
119.08572	7.4
121.06494	18.2
121.10126	18.3
122.06768	2.5
123.04416	11.0
123.08064	7.9
123.11694	3.0
125.06010	3.0
125.09642	2.6
131.08537	18.8
133.10103	2.8
135.08041	6.8
137.05957	4.2
137.09573	6.2
145.10117	6.3
147.08002	4.0
147.11702	3.8
149.02324	7.2
149.09569	14.0
149.13258	4.8
151.11165	3.7
159.11629	3.9
161.13188	5.5
163.11113	3.3
165.12773	20.6
165.52675	2.4
167.10652	7.3
168.11395	3.4
171.11742	4.7
173.75592	2.3
179.14326	3.3
180.11304	2.5
180.91458	2.9
181.12207	100.0
182.12459	3.2
185.13200	2.3
189.02040	2.9
189.12825	2.6
191.14265	6.0
193.04921	5.9
198.06688	2.8
199.72374	2.6
205.12292	2.4
207.13814	2.7
221.15546	3.2
229.14323	3.1
263.16330	3.6
277.21518	3.5
278.21719	3.1
289.21603	12.3
293.21176	3.7
305.21069	29.5
306.21353	3.1
351.25253	86.0
351.29590	5.1
352.25552	4.0
385.09033	5.7
385.24100	6.7
385.29202	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	385.2002
Annotation	(+)-Bisabosqual A
Peak:m/z	Relative Intensity
55.01865	4.0
55.05498	7.7
57.07052	11.0
67.05493	14.7
69.07050	16.1
70.88480	9.9
70.88837	8.2
81.07042	17.6
93.07016	4.5
95.08576	10.0
108.02943	3.5
109.10136	5.2
128.06206	5.2
129.07002	4.5
141.06998	5.8
156.14697	4.3
161.05952	13.1
169.06421	4.9
171.08012	17.4
181.06471	16.4
183.55420	3.7
184.05212	10.3
185.05971	9.1
186.06683	5.4
187.07529	4.8
189.05437	12.7
197.05937	6.8
198.06660	10.4
199.03860	15.6
199.07477	21.1
200.04695	9.6
201.05440	17.5
203.03333	13.8
203.07112	3.8
205.04971	16.4
207.06477	6.1
209.05998	8.6
209.09439	4.3
211.07521	10.4
212.04672	28.6
213.05428	43.9
213.09081	13.5
214.06230	15.4
215.06924	25.2
216.04129	15.4
217.04993	11.1
219.06508	39.9
221.05765	5.7
222.06705	4.5
225.05450	9.5
225.09117	8.8
226.06215	17.8
227.06998	75.6
228.07607	12.0
229.04884	15.4
229.08516	8.4
231.06517	15.9
237.05396	5.5
237.09004	4.2
239.06987	8.8
240.07785	6.5
241.08533	42.9
242.05705	4.6
243.06448	5.4
247.06058	12.2
253.08519	15.6
254.05766	9.0
255.06497	18.2
255.10147	5.7
257.08038	11.3
267.06421	6.0
267.10202	4.8
269.08029	63.4
295.02350	4.0
321.18259	6.0
323.16391	12.7
325.17892	44.9
339.19489	67.1
343.19070	7.8
349.18079	19.6
350.18350	4.7
353.17194	5.6
355.18863	9.0
357.20624	8.1
367.14340	5.5
367.18951	100.0
368.19580	4.5
385.20001	56.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.2365
Annotation	Gerronemin B
Peak:m/z	Relative Intensity
53.03930	3.4
55.05483	8.7
57.07049	8.2
59.04977	2.7
67.05505	15.1
68.04082	2.9
69.03413	4.0
69.07038	5.3
71.04980	4.6
71.57582	5.3
79.05469	13.0
81.07045	16.7
82.08990	2.9
83.04958	5.4
83.08579	11.3
85.06521	3.9
91.05459	18.9
93.07020	18.8
95.04954	10.6
95.08591	19.0
97.06493	10.3
98.06116	2.3
99.04423	2.8
103.03066	2.3
105.07010	23.8
107.08572	26.9
109.06477	13.0
109.10107	7.4
111.04411	6.7
111.05573	2.7
111.08063	13.4
111.47721	2.6
117.06994	9.6
119.04913	2.6
119.08546	32.3
121.06500	8.5
121.10128	10.5
123.08036	25.1
125.09603	5.7
129.06987	8.6
131.08516	27.0
133.10085	7.4
135.08060	12.2
135.11658	18.4
137.05992	15.0
137.09595	5.8
141.06911	2.6
142.07693	4.1
143.08527	9.5
144.09303	6.4
145.06459	3.3
145.08972	5.1
145.10066	36.0
146.00735	2.7
147.08003	12.4
147.11652	6.2
149.09583	9.5
151.07510	56.2
153.09035	4.7
155.08537	5.9
155.10638	5.1
156.09332	3.0
157.10091	7.2
159.07997	17.5
159.11650	27.9
161.09538	9.5
162.10390	3.7
163.11166	18.5
165.09093	9.0
169.10149	5.1
171.11623	9.6
173.13231	4.3
175.11130	3.8
177.09050	10.8
177.12680	15.4
179.14250	2.4
183.11647	2.9
185.13228	3.4
187.11157	18.0
189.12712	10.4
191.14265	4.4
195.11588	5.2
199.11153	5.9
203.03339	3.0
203.10539	3.0
203.14220	5.2
205.12180	35.0
207.11778	4.2
207.13721	6.2
209.15320	3.3
211.15005	2.6
213.12708	3.4
215.14253	3.3
216.04082	10.4
217.12292	3.7
221.15382	10.5
229.12401	2.9
231.06483	11.4
243.13783	3.4
246.16144	4.7
247.16829	5.9
250.14345	2.7
275.16394	3.0
276.48364	2.5
277.13574	3.1
286.19354	12.7
341.17325	3.5
367.18622	4.3
367.22641	8.0
373.39767	2.8
385.18787	5.2
385.23666	100.0
386.24057	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	385.2369
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.3
55.01862	0.4
55.05503	1.0
57.03420	0.7
57.07064	0.6
59.04991	0.2
65.03909	0.3
67.05492	4.4
69.03406	0.4
69.07062	1.8
70.15350	0.7
71.04967	0.3
71.08619	0.2
77.03904	0.2
79.05482	15.1
80.05820	0.3
81.07048	8.2
83.04980	0.9
83.08603	0.6
85.06507	0.2
91.05466	4.2
91.19852	0.2
93.03391	0.3
93.07034	9.5
94.07383	0.2
95.04951	1.0
95.08583	1.5
97.06516	3.8
100.51992	0.2
103.05431	0.3
105.07015	2.2
107.04948	2.3
107.08580	6.2
108.08907	0.2
109.06499	0.4
109.10144	0.4
111.04434	1.7
111.08127	0.2
115.05428	0.3
116.06188	0.2
117.07005	4.1
119.08564	2.1
121.06472	0.6
121.10117	2.5
123.08054	0.3
123.11665	0.3
125.05972	5.9
128.06216	0.3
129.06998	0.5
130.07750	0.4
131.04884	0.3
131.08553	2.8
133.06474	0.4
133.10114	1.2
134.07304	0.2
135.04391	0.2
135.08034	4.7
135.09618	0.2
135.11673	3.3
136.08311	0.2
139.07535	0.3
141.06938	0.3
143.07027	0.2
143.08527	0.5
144.09340	0.2
145.06473	0.4
145.10057	0.7
147.08000	0.2
147.11703	0.3
149.05995	0.3
149.09605	0.5
149.13239	16.3
150.13570	0.4
153.06999	0.2
155.08522	0.4
157.10094	0.4
159.04561	0.2
159.11671	5.3
160.12027	0.2
161.05978	0.9
161.13254	0.2
163.07555	0.2
163.11183	0.2
167.08447	0.2
167.14323	0.2
169.06409	0.2
169.10173	0.2
171.08002	0.2
171.11609	0.2
173.02342	0.3
173.05968	0.4
173.09601	1.4
175.07620	0.2
175.11171	0.5
175.14836	0.3
177.12723	100.0
178.13068	4.3
181.10104	0.3
185.05968	0.3
187.07535	0.3
187.14833	0.2
189.09102	0.2
191.10648	10.2
192.10989	0.6
195.13780	9.9
195.15678	0.2
196.14128	0.4
199.07552	0.7
201.05513	0.9
201.09004	0.2
203.03358	4.0
203.10674	0.3
205.04982	0.4
205.12318	0.1
213.09027	0.4
215.07076	0.3
216.04140	0.4
217.08517	0.2
217.12167	0.3
223.11111	0.2
227.07060	0.3
227.10637	0.2
229.04967	0.3
229.12196	0.4
231.06485	0.5
239.18092	0.2
241.12181	0.6
243.13858	0.2
255.13766	0.3
255.17361	0.2
257.15289	0.2
261.07559	0.7
269.15302	0.4
273.18542	0.2
281.15222	0.2
283.16888	1.5
284.17374	0.2
297.14844	0.6
297.18506	0.4
321.22174	0.3
339.23175	4.8
340.23669	0.3
349.21359	0.9
367.18362	0.3
367.22665	3.4
368.23123	0.4
385.14850	0.2
385.19812	0.3
385.23666	2.6
385.29160	1.2
386.24127	0.3
386.37900	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.2002
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	0.8
53.41868	0.6
55.01863	1.3
55.05508	4.7
55.10518	0.6
57.03403	2.7
57.07080	3.8
59.66960	0.6
65.66126	0.7
67.05499	4.3
69.07055	5.2
69.54897	5.4
79.05446	2.9
81.06650	1.0
81.07046	12.0
83.08579	2.7
91.05438	3.0
93.07008	2.4
95.08594	10.4
98.21455	1.0
105.07011	4.4
107.08573	1.0
109.10089	1.6
109.94775	0.7
119.08566	1.3
121.10069	0.8
128.06178	1.0
129.06969	1.4
131.04863	0.9
133.06476	1.7
137.13232	0.9
138.61020	0.6
141.06863	0.7
143.08492	1.8
147.04391	1.0
147.11678	0.8
149.05959	0.8
151.14764	1.2
152.06133	0.9
155.08504	0.9
157.06464	0.6
159.04361	1.0
160.82889	0.6
161.02313	2.3
161.05980	6.2
165.06952	1.4
166.07890	0.8
168.05672	1.0
171.04366	1.4
171.08031	2.0
173.02351	3.6
173.05920	1.8
173.09666	1.1
173.23996	0.7
174.03117	1.5
175.03856	4.3
175.07407	1.1
178.07771	1.1
179.08481	1.4
181.06445	1.4
182.07234	1.8
183.04384	1.0
183.07906	1.3
184.05136	1.5
185.06006	3.5
185.09601	1.9
186.06758	2.2
187.03870	2.6
187.07524	2.3
188.04626	0.7
190.02556	2.6
193.06427	1.1
194.07242	1.2
195.08011	1.8
197.05963	2.1
198.03058	2.6
198.06721	5.5
199.03798	1.3
199.07481	7.3
200.04646	2.2
200.08205	1.2
201.05453	8.9
201.09050	2.4
203.03365	47.4
204.03709	1.5
205.04918	21.7
205.06349	1.0
207.07985	1.8
209.05830	1.7
209.09593	0.9
210.06702	2.4
211.07538	6.2
212.04701	1.0
212.08234	2.7
213.05449	14.1
213.09013	8.3
214.06110	1.9
215.06966	8.3
215.10460	0.9
216.04150	45.8
217.04774	4.6
220.08890	0.8
221.05927	1.8
222.06720	2.1
223.07475	3.9
224.08307	3.5
225.05373	0.9
225.09027	2.6
226.06227	5.5
227.06998	7.4
227.10619	2.5
228.04144	0.9
228.07770	3.1
229.04956	5.4
229.08519	2.7
231.06482	100.0
232.06789	2.7
234.06694	1.0
235.07423	2.2
236.04686	0.8
237.05394	1.0
237.09103	4.7
238.06168	1.4
239.06908	3.4
239.10635	1.0
240.07751	1.6
241.08553	11.1
243.06552	1.8
243.10170	1.1
245.08070	1.1
249.05389	1.3
249.09001	1.4
250.06311	4.8
250.09923	0.8
251.07062	3.6
251.10594	2.3
252.07732	1.7
253.08524	2.9
254.05838	1.0
255.06354	1.0
255.10121	3.0
255.13516	0.8
264.07819	1.3
265.08560	6.7
265.12350	0.7
267.06494	7.9
267.09280	1.1
267.10236	1.0
268.07230	1.1
269.08038	4.0
279.10141	1.1
283.09448	1.6
293.11801	0.9
297.18402	1.2
298.19232	1.1
308.17581	0.9
311.19769	1.1
321.18414	1.5
323.20071	1.9
331.17065	0.9
339.19513	12.1
341.17523	1.6
341.21252	1.6
349.17972	6.4
352.16458	1.0
357.20474	1.5
367.18991	49.6
368.19238	3.8
385.20007	23.1
385.24704	1.6
386.20566	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.2002
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	11.5
57.07067	19.2
67.05499	16.4
69.07053	17.2
69.44939	5.4
69.45360	11.4
69.74319	1.8
71.04977	1.9
71.08612	3.3
79.05473	7.1
81.07043	19.0
83.08602	4.1
85.06509	2.1
85.10151	2.6
91.05466	3.6
93.06995	4.8
94.64742	1.7
95.08598	10.9
97.06542	2.2
105.07019	3.2
107.08611	3.5
109.06467	3.8
109.10126	5.0
113.09626	2.9
115.05437	2.3
119.08590	2.9
128.06210	6.1
129.06964	6.3
131.04851	2.3
132.80701	1.6
141.06949	6.1
141.31813	2.2
143.08548	5.7
145.10056	3.1
153.07007	2.5
155.04811	2.0
155.08510	4.6
157.06456	4.6
157.10164	1.7
159.08052	2.2
161.05986	9.5
167.08600	2.9
169.06459	6.7
170.07211	3.5
171.04427	2.5
171.08038	18.7
172.05174	2.8
175.03879	3.2
175.07520	4.3
177.12749	6.7
181.06441	16.6
182.07202	5.4
183.04356	2.4
183.08023	2.2
184.05186	14.8
185.05907	9.2
185.09592	3.8
186.03065	5.1
186.06651	2.5
187.03862	1.8
187.07484	6.1
195.07996	4.6
197.05952	7.2
198.06773	14.2
199.03897	19.3
199.05501	2.4
199.05861	1.9
199.07533	21.2
200.04639	8.8
201.05440	29.2
201.08969	2.9
203.03348	9.0
205.04865	5.6
209.05940	12.2
210.06499	3.4
211.03740	2.4
211.07559	7.4
212.04660	41.0
212.08119	2.6
213.05418	42.2
213.08966	14.2
214.06189	20.1
215.07004	20.6
216.04141	12.6
216.07460	2.6
217.04965	7.7
221.05954	6.4
222.06712	4.0
223.07506	7.1
225.05484	11.3
225.09081	5.7
226.06203	21.1
227.06992	87.6
227.10570	4.4
228.07706	13.5
229.05109	8.9
229.08533	5.6
231.06519	12.7
235.07448	3.5
236.04622	2.6
236.08257	2.8
237.05379	5.3
237.09085	3.1
238.06207	5.3
239.07027	9.5
239.10638	2.1
240.07745	4.8
241.08549	45.3
243.10306	2.3
251.06895	3.1
251.10626	2.9
253.08556	12.3
254.05698	3.7
254.09160	2.2
255.06497	4.1
255.10095	7.8
265.08505	4.9
267.10107	4.3
269.08060	60.0
279.09952	2.2
281.11765	5.0
283.09506	4.4
297.18549	3.6
321.18378	4.8
323.16519	9.0
323.19901	3.0
324.17087	4.4
325.17941	44.0
339.19525	69.8
340.19843	4.2
341.20969	3.9
343.18915	5.4
349.17966	21.1
367.18958	100.0
367.22684	5.0
368.19263	6.7
385.29095	6.8
390.20038	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.2001
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	2.6
55.05484	5.4
57.03432	1.5
57.07048	5.7
67.05496	7.1
69.07050	11.3
69.49464	10.1
70.41255	1.6
71.04953	1.4
79.05467	2.0
81.03426	1.4
81.07041	14.5
83.08590	4.0
91.05453	2.9
93.07021	3.7
95.08588	11.5
98.20764	2.7
105.07008	4.3
106.13796	1.3
109.10124	2.4
116.49479	1.5
128.06244	1.8
129.07013	1.7
131.04906	2.6
137.13148	1.7
141.06902	1.9
142.69595	1.4
143.08522	1.7
145.02811	1.9
147.04379	1.6
151.14780	1.6
155.08527	2.5
156.29306	1.6
157.06433	1.8
158.66135	1.4
159.08023	1.7
160.01347	1.3
161.02304	3.7
161.05933	10.5
169.06450	1.6
171.07993	4.1
172.05133	3.4
173.02263	7.5
173.05891	1.5
174.03072	1.5
175.03851	5.4
175.07494	1.9
177.57281	1.3
178.07561	1.6
182.07182	2.9
184.05170	3.3
185.05901	6.3
186.03131	1.9
186.06670	2.7
187.07468	5.5
189.05431	1.9
190.02635	2.2
195.07967	4.9
197.05956	4.2
198.03027	1.6
198.06693	9.9
199.07532	14.8
200.04637	2.3
200.08206	2.6
201.05339	7.8
201.09059	5.2
203.03357	100.0
204.03685	2.5
205.04900	21.7
205.06622	2.3
207.08018	2.5
209.06003	3.3
209.09608	2.1
210.06755	3.7
211.07494	8.5
212.04596	3.0
212.08223	3.5
213.05400	21.7
213.09012	15.1
214.06151	4.0
215.06969	13.1
215.10608	2.5
216.04123	38.0
217.04881	5.5
221.06053	2.9
222.06691	2.8
223.07489	4.3
224.08299	2.0
225.05501	1.8
225.09103	9.0
226.06181	10.1
227.07004	14.6
227.10594	3.8
228.04140	2.2
228.07732	5.6
229.04915	6.1
229.08575	5.2
231.06470	79.6
232.06767	3.4
235.07472	4.6
236.08253	1.9
237.05446	1.6
237.08974	3.9
238.06180	1.6
239.06917	3.8
239.10571	3.6
240.07718	2.4
241.08551	18.7
243.06499	7.7
249.09055	2.2
250.06244	3.8
250.10069	1.7
251.06931	2.4
251.10567	2.5
253.08484	4.8
255.10213	1.9
257.07974	2.5
263.06790	1.6
265.08521	6.3
267.06375	3.9
267.10141	1.9
268.07138	1.9
269.08026	8.2
279.10007	3.3
283.09482	1.6
297.18365	2.9
298.19156	3.0
307.85303	1.4
311.19928	3.4
313.21457	1.6
321.18277	4.0
323.16238	2.9
323.19717	3.0
326.18723	1.8
339.19461	22.2
341.17294	5.9
349.17831	9.3
357.20496	3.7
367.18964	50.2
368.19336	3.9
385.20032	38.3
386.20193	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	385.1826
Annotation	His Thr Gln
Peak:m/z	Relative Intensity
55.05494	0.9
55.12587	0.5
57.07058	0.8
58.73975	0.5
59.04996	0.5
67.05485	1.0
69.03416	0.6
69.07053	0.9
70.06580	1.0
70.25402	1.7
72.08138	0.5
76.74711	0.5
79.05457	0.6
81.07022	0.9
83.06081	1.0
83.08614	0.6
84.04490	1.5
84.08139	1.0
85.06523	0.6
91.05453	0.7
93.07006	0.7
95.06087	0.7
95.08587	0.6
97.02826	0.5
105.07013	0.7
107.08537	0.7
110.07154	3.6
111.05546	3.2
111.07509	1.5
114.05491	2.0
126.09152	1.0
130.04973	1.3
137.05957	0.9
142.04987	1.2
149.02309	2.2
154.99474	1.0
193.04944	1.9
229.03128	1.7
284.28708	0.5
324.25238	1.2
341.24072	0.5
341.27951	3.3
367.17221	1.5
367.22299	0.5
367.29269	1.9
385.09351	3.3
385.18262	100.0
386.18466	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	385.2003
Annotation	(+)-Bisabosqual A
Peak:m/z	Relative Intensity
53.03934	1.2
55.05507	4.3
57.03423	1.3
57.07056	2.6
60.69550	1.1
67.05207	0.9
67.05495	9.1
68.16267	0.8
69.07049	4.8
69.35927	9.8
69.62626	0.8
79.05481	12.3
81.03404	1.6
81.07040	10.4
83.01324	4.6
83.08622	1.6
86.02458	0.8
91.05488	6.2
93.07029	8.3
95.04945	3.9
95.08585	4.5
97.06492	2.7
103.05465	1.1
104.34151	0.9
105.07029	6.6
107.04922	2.7
107.08554	5.4
109.10130	1.3
111.04432	0.9
115.05405	2.8
117.06988	5.9
119.08554	3.1
121.10114	1.6
125.05974	3.3
128.06186	1.9
129.06999	2.4
131.08549	3.9
133.06483	7.2
133.10150	1.2
135.08063	5.1
135.11649	3.0
141.06927	1.8
143.08568	1.7
145.06482	4.2
146.06923	0.8
147.04385	1.1
149.13216	11.1
155.08527	2.5
159.04370	1.0
159.11656	4.7
161.05943	18.4
161.07236	1.4
163.03870	1.3
163.07443	0.9
171.04399	1.5
173.05920	1.7
173.09576	1.5
175.04472	1.1
175.07585	2.4
177.01787	2.4
177.05478	2.3
177.12723	85.8
178.13092	2.0
183.08003	1.1
185.05959	2.4
185.09752	1.3
187.03897	1.4
187.07571	1.6
189.05434	25.3
190.05759	1.0
191.10599	13.5
192.04115	3.9
193.05043	0.9
195.02898	5.9
195.12077	0.9
195.13725	5.0
199.03862	1.3
199.07516	2.1
201.05449	2.0
203.03316	2.1
203.07011	2.2
205.04932	29.5
205.64308	1.0
206.05508	1.8
207.06471	10.6
213.05463	6.7
213.09041	1.4
214.06085	1.6
215.06998	3.7
216.04161	15.2
217.04900	10.7
217.08488	2.1
218.05688	7.3
219.06491	87.3
220.06851	3.0
223.07507	1.0
227.07010	8.0
229.04924	19.0
229.08524	1.5
230.05618	2.9
231.06494	13.7
233.04398	2.5
233.08012	2.2
239.07048	1.9
241.08656	1.9
242.05711	8.9
243.06506	7.8
244.07195	1.7
245.08006	6.7
247.06003	13.7
253.05081	1.1
255.06497	24.5
255.09279	1.6
256.06934	1.8
257.08066	25.8
258.08444	1.6
259.09641	3.6
267.06519	2.3
269.08133	3.6
271.09686	1.3
272.06555	1.3
283.09537	1.9
283.16937	1.2
285.07532	3.4
287.09277	1.2
297.11075	1.2
339.23087	4.3
340.16711	10.5
353.17407	9.9
354.17984	1.1
355.19006	22.6
356.19275	1.6
357.20569	19.5
367.18826	4.2
367.22723	2.1
385.20023	100.0
385.28857	4.0
385.36426	2.1
386.20541	5.9
386.38028	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.2849
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	1.0
56.05011	1.1
64.27391	0.3
67.05499	2.0
68.05010	1.1
69.07066	1.8
72.65102	0.3
79.05458	0.4
81.04523	0.7
81.07032	1.6
82.05302	1.3
83.06093	12.0
83.08598	0.4
93.04512	6.9
95.06077	12.0
95.08577	2.4
107.06054	0.4
109.07650	0.5
109.10113	0.6
110.07146	100.0
111.05550	2.2
111.06808	0.4
111.07503	1.2
112.08723	3.7
122.39062	0.3
139.05058	0.7
149.02330	0.6
149.55891	0.3
156.07658	14.7
193.04875	0.6
205.20100	0.3
275.24799	5.7
293.25815	0.5
302.25906	1.6
305.25772	0.7
320.26923	8.1
322.28418	0.9
338.27948	9.7
339.26578	0.7
340.29724	0.7
341.29514	0.4
366.27444	8.5
367.27643	0.6
384.28500	92.8
385.09229	0.9
385.28833	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	385.0313
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96495	1.8
69.42531	2.4
71.95191	0.4
79.59425	0.3
98.97566	20.2
98.98167	0.7
99.97857	0.5
100.97124	0.5
100.97865	0.3
101.00807	0.8
116.98601	18.1
117.98885	0.6
118.98161	0.3
119.01166	0.4
119.01897	5.1
120.02036	0.3
122.97845	0.2
134.99637	10.9
135.99863	0.3
136.99161	0.4
137.02890	2.0
140.00121	0.4
153.00719	1.7
153.88283	0.2
158.01196	0.4
158.99823	0.7
165.99509	0.4
177.00928	12.3
178.00954	1.0
182.99783	0.7
195.01968	0.3
201.00838	1.0
216.98656	0.5
217.04065	2.8
218.04022	0.4
219.01974	22.6
220.02086	2.9
221.01694	0.2
225.00778	2.7
226.00983	0.5
234.99757	1.4
235.99843	0.4
236.99438	0.5
240.98775	0.9
242.03571	0.4
242.98434	0.6
243.01950	6.8
244.02040	0.9
258.99765	8.2
259.99902	2.3
260.99744	7.4
261.03015	100.0
262.03146	13.1
263.03015	0.9
274.97266	0.3
277.00806	15.9
278.00940	4.6
279.00604	14.2
280.01114	0.5
282.99887	2.4
284.00232	1.0
284.04572	3.0
284.99832	1.0
300.02304	0.5
301.00949	4.5
302.01166	2.0
302.97684	0.4
303.00711	2.2
318.98712	0.6
319.02121	0.6
319.98621	0.6
324.93991	0.4
342.95160	0.8
343.02124	1.4
344.02386	0.4
360.99759	0.6
361.03619	0.4
361.99567	0.5
367.01965	2.0
368.02411	0.4
385.03210	15.5
386.03397	2.7
398.97934	0.3
403.04550	20.1
404.04718	3.7
408.04880	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.2374
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	6.2
54.03461	6.5
55.01871	5.2
55.05495	17.4
56.05035	11.7
56.96565	8.9
57.07068	27.9
57.19337	4.3
61.36162	4.0
65.03897	4.1
67.05498	23.5
68.05018	11.3
69.03410	6.3
69.07059	19.0
70.06569	6.4
71.08617	8.9
71.60522	4.1
79.05492	13.3
80.04998	21.0
81.03403	19.4
81.07045	18.4
82.06570	13.4
83.06096	9.0
83.08599	8.4
84.04494	20.8
85.02888	4.5
86.06065	4.4
87.04453	8.4
91.05476	8.8
93.04513	8.7
93.07034	10.9
94.02903	5.6
95.04927	4.2
95.06079	12.7
95.08596	25.4
96.04485	15.6
97.02812	4.3
97.06537	5.7
104.07092	8.0
105.07005	13.0
108.04469	58.1
109.10143	13.2
110.06021	16.7
110.07151	91.8
112.03942	4.9
112.08694	4.4
114.05511	14.0
117.42750	4.0
117.52105	3.9
119.08534	10.4
120.04455	7.5
121.10156	8.3
124.03950	15.6
126.05508	6.5
128.03442	16.1
130.05002	10.8
131.08598	6.1
133.06404	5.3
133.10127	6.4
135.11639	4.8
135.17195	3.5
136.03912	70.4
137.04292	5.2
138.05527	25.1
142.04970	11.2
142.08624	4.1
145.10034	4.6
147.11728	5.7
152.03391	14.5
154.04974	11.6
156.06500	6.4
156.07664	14.8
157.10225	4.3
161.05928	21.9
161.09615	3.8
164.03404	83.6
166.05028	4.3
182.04462	64.9
189.05447	36.3
200.05536	49.1
202.07085	29.8
207.06519	100.0
226.03911	8.5
235.04494	9.3
246.55121	12.5
263.02261	13.8
263.12720	12.5
265.03903	10.6
281.03186	20.7
283.04941	12.7
283.16943	14.8
290.00769	3.9
299.04333	17.4
320.26743	8.0
324.25098	4.7
337.09561	5.5
338.09991	22.2
338.28033	7.5
339.23074	12.2
341.27957	21.6
355.10577	6.6
356.10895	12.3
357.09781	16.1
361.11700	5.2
366.23013	9.7
366.27185	6.2
377.61246	4.8
384.23975	12.1
384.28540	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	384.1647
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96810	0.3
55.01852	0.7
57.03429	0.5
61.02901	1.4
67.05491	0.5
69.03410	1.4
69.07056	0.4
69.72737	2.4
70.06576	0.9
71.04974	0.5
73.02876	0.5
81.03401	0.9
81.07018	0.6
82.50710	0.3
84.08147	0.6
85.02893	6.9
86.09693	0.5
91.05456	1.7
93.07037	0.4
95.05017	0.3
97.02882	1.7
99.04413	0.4
107.23429	0.3
109.02892	0.6
110.07133	0.6
115.05436	1.1
116.06224	0.4
119.08550	0.9
119.14790	0.3
127.03886	1.2
127.93256	0.4
128.06215	0.6
129.06934	0.5
131.04878	0.9
131.08556	4.7
133.06490	0.4
141.06952	2.8
144.05659	1.6
145.04980	1.6
145.06479	0.7
149.02342	0.5
155.31190	0.3
159.04398	0.8
159.08044	3.1
161.05884	0.4
163.03877	0.5
169.06448	5.4
169.07608	0.3
169.88586	0.3
177.05446	0.4
187.07521	26.2
188.07884	1.0
205.08575	100.0
206.08868	3.0
304.17419	0.3
313.20712	0.3
384.23032	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.1857
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19054	0.8
53.03937	5.8
55.01859	7.6
55.05484	1.6
57.03430	5.4
57.07064	2.4
61.02922	6.3
65.03923	0.9
66.44354	0.8
68.53955	0.9
68.99770	1.9
69.03420	34.0
69.07054	1.7
70.06573	6.2
71.04993	5.3
71.62267	1.4
72.08155	1.1
73.02905	6.6
79.75693	0.7
81.03408	26.3
81.07030	1.4
83.01340	1.9
84.04492	1.2
84.08119	3.2
85.02896	100.0
86.03228	1.0
86.09684	2.5
87.00822	41.2
87.04447	2.0
91.03935	1.9
91.05444	1.2
97.02881	39.1
99.04443	14.8
99.08052	0.9
103.03909	1.3
105.01855	86.4
106.02251	1.1
107.04913	1.2
109.02870	32.2
110.07186	1.3
111.04433	1.0
112.15916	0.9
115.03902	1.6
117.01820	2.8
119.10680	5.6
120.08116	1.4
123.08192	0.8
127.03903	74.6
128.04185	1.4
129.01817	3.1
129.10205	1.0
145.04942	36.1
147.02872	2.7
153.05438	3.1
159.02896	14.0
169.06464	1.3
182.04912	0.9
189.03943	2.7
213.03896	6.3
223.06389	0.9
227.12665	2.0
229.04889	1.0
231.02661	1.8
231.04956	29.3
249.06018	12.0
331.13617	1.0
384.13907	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.1145
Annotation	Succinyladenosine
Peak:m/z	Relative Intensity
55.01842	1.0
57.03426	1.9
61.02919	0.4
68.20548	0.3
69.03395	0.9
70.06558	1.3
70.12839	0.7
70.13235	0.7
71.01329	0.6
72.08125	0.3
73.02896	0.8
84.08156	0.6
85.02894	1.6
88.02196	0.7
97.02858	0.5
99.00784	0.7
110.07121	0.5
115.03872	0.7
119.03463	0.4
121.05072	1.2
133.04990	0.4
134.02682	1.0
135.06644	0.6
136.06166	21.1
137.04533	0.8
146.04471	0.3
148.06161	5.2
151.03859	0.4
155.05457	0.4
160.06161	0.9
162.07727	36.2
163.08064	0.8
188.05655	13.3
189.05959	0.4
192.05132	18.6
193.05424	0.4
206.06702	7.8
216.05164	1.0
221.97681	0.3
224.70590	0.4
234.06181	9.8
252.07245	100.0
253.07559	3.3
334.92810	0.3
355.90030	0.3
384.11450	26.5
385.11688	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2574
Annotation	C25-Epoxy-apo-aldehyde
Peak:m/z	Relative Intensity
51.02407	2.4
55.05502	15.3
55.05706	2.8
57.07061	9.3
59.04983	2.6
65.10995	2.4
67.05499	29.5
69.03421	14.1
69.07040	11.6
71.04968	6.5
79.05482	30.4
81.07049	27.2
81.71508	2.8
83.04951	9.2
83.08615	6.7
85.06498	5.7
89.71899	2.4
91.05469	37.3
93.07032	78.6
95.04935	27.3
95.08593	38.0
96.36175	2.5
97.06503	17.0
105.07021	73.2
106.07343	2.8
107.08585	40.8
109.06512	23.5
109.10144	23.4
111.08060	8.5
113.09672	3.6
115.05470	4.1
117.07005	12.1
119.07774	4.7
119.08567	53.5
121.06481	13.8
121.10143	45.1
123.08060	29.1
123.11691	4.5
128.06198	7.7
129.06972	15.3
130.07762	3.4
131.08554	28.8
132.09337	2.9
133.06473	6.6
133.10107	30.0
135.08054	31.8
135.09009	4.8
135.11674	6.7
137.05963	4.8
137.09572	11.0
142.07750	16.7
143.08539	28.5
144.09274	9.0
145.10107	46.7
147.08035	22.5
147.11700	21.0
148.08743	3.3
149.09581	23.7
151.07516	29.5
153.09067	3.2
155.08571	8.2
155.10649	3.5
156.09329	7.7
157.10104	39.3
159.08006	8.0
159.11644	16.0
161.09641	17.4
161.13225	6.7
163.11156	6.5
165.09103	30.0
167.08578	3.4
169.10091	9.6
170.10861	5.9
171.11676	10.5
173.09608	10.2
173.13243	8.3
175.11128	16.3
175.14714	6.4
177.09085	11.6
178.09920	4.2
181.10019	3.3
182.10786	5.0
183.11673	8.7
185.09572	3.6
185.13306	15.2
187.11192	5.4
187.14809	4.7
189.12766	9.1
191.10640	8.5
193.10089	4.3
193.12126	2.9
195.11685	3.1
197.13223	10.8
199.11168	4.0
199.14844	3.6
201.12732	10.1
203.14288	29.9
207.11908	4.6
207.13811	11.3
209.13225	7.7
209.15356	6.8
211.11223	3.5
211.14827	3.6
213.12729	4.3
215.14319	14.4
216.15370	2.7
219.13814	6.8
221.15335	75.5
222.15695	4.5
225.12703	5.2
227.14294	10.4
229.12050	3.1
229.26237	3.4
233.15326	8.9
234.16133	9.7
237.14575	3.3
243.13824	3.2
247.16853	4.1
251.17871	3.1
265.15829	4.0
276.02283	2.9
281.19049	5.5
286.19373	4.8
287.19977	9.8
299.19986	5.4
303.19351	6.9
347.23758	3.3
365.24677	15.2
383.25732	100.0
384.25964	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	383.2574
Annotation	C25-Epoxy-apo-aldehyde
Peak:m/z	Relative Intensity
55.05487	13.1
57.03410	3.2
57.07048	11.6
57.18847	2.5
59.04980	7.7
65.03925	3.0
65.52498	3.0
67.05494	32.7
69.03408	11.4
69.07053	14.3
71.63454	4.6
79.05457	20.1
81.07037	34.5
83.04961	4.7
83.08582	4.8
85.06507	5.2
90.05499	2.8
91.05457	42.4
93.06451	5.8
93.07022	79.9
93.07612	4.1
95.04950	27.1
95.08578	29.6
97.06509	9.9
103.05434	3.6
105.07004	77.3
107.04932	4.4
107.08570	34.7
109.06482	19.3
109.10142	21.0
111.04492	3.5
111.08052	10.4
117.06994	8.8
119.08546	44.1
121.06465	14.7
121.10119	44.4
123.08050	24.9
123.11665	3.1
128.06232	6.6
129.06996	12.0
130.07768	5.5
131.08542	25.6
133.06448	9.9
133.10114	21.6
134.78395	3.0
135.08044	17.9
135.11710	6.2
137.06007	5.3
137.09601	10.8
141.07025	3.9
142.07753	13.3
143.08528	22.0
144.09343	7.2
145.10088	30.5
147.08064	17.9
147.11653	13.5
149.09572	23.3
151.07533	25.2
155.08485	6.9
156.09351	9.3
157.10098	34.6
159.08046	9.0
159.11684	13.1
161.09619	14.9
161.13225	4.6
163.11188	8.6
165.09085	36.6
167.10670	4.3
169.10083	4.3
170.10838	6.9
171.11737	7.8
173.09622	9.4
173.13232	7.9
175.11191	20.7
175.14804	8.9
177.09074	10.6
178.09821	3.9
183.11629	6.9
185.13203	15.3
187.11182	4.3
189.12737	7.0
191.10690	5.7
191.14406	4.3
195.11681	8.1
197.13312	6.0
199.14780	3.2
201.12732	11.0
203.14328	20.5
207.13814	11.5
209.13293	7.0
209.15192	4.7
211.11166	3.9
213.12787	4.6
215.14323	5.9
219.13759	6.1
221.15312	78.9
223.14740	4.4
225.12665	3.6
227.14313	7.6
231.13748	7.6
233.15331	9.7
234.16124	19.7
237.14731	5.2
241.15492	3.3
271.15390	3.3
281.18835	5.1
287.19968	8.3
299.20111	5.3
300.20633	3.9
303.19547	9.3
347.23608	4.1
365.24567	20.3
383.25793	100.0
383.31094	11.9
383.37015	5.3
384.25912	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	383.2575
Annotation	C25-Epoxy-apo-aldehyde
Peak:m/z	Relative Intensity
53.03935	3.5
55.01853	3.6
55.05501	14.0
55.57398	1.6
56.96545	5.0
57.03425	1.8
57.07066	8.6
59.04990	3.4
67.05490	21.7
69.03424	12.9
69.07068	9.8
71.04978	7.1
71.07919	1.9
71.08231	3.1
74.40626	1.7
79.05481	26.1
81.07042	25.4
83.04963	5.4
83.08597	4.7
85.06539	5.3
90.21915	1.7
91.05468	33.7
93.07030	71.2
95.04956	24.9
95.08588	33.1
97.06512	12.5
103.05448	2.5
105.07011	60.8
107.04966	2.6
107.08588	31.8
109.06501	16.9
109.10123	14.7
111.08079	6.9
115.05407	2.6
117.07011	11.6
119.08564	40.6
120.09357	3.2
121.06492	11.1
121.10123	35.7
123.08051	22.5
125.09568	2.3
125.93217	1.8
128.06206	6.6
129.06987	11.1
130.07767	4.1
131.08557	23.6
133.06461	6.1
133.10115	19.8
135.08046	19.0
135.11679	5.5
137.05959	2.8
137.09608	9.8
141.06987	5.7
142.07770	14.6
143.08545	20.8
144.09352	3.7
145.10095	30.9
146.07225	2.5
147.08025	17.5
147.11700	15.0
148.08801	2.5
149.09587	18.1
151.07526	29.5
153.09114	4.8
155.08517	4.9
156.09332	7.4
157.10110	39.7
158.10753	2.3
159.08055	8.1
159.11694	14.4
160.08804	3.0
161.09561	18.7
161.13245	5.7
163.11134	6.5
165.09094	30.1
169.10136	7.5
170.10904	7.0
171.11650	9.0
173.09610	9.3
173.13335	6.1
175.11188	20.0
175.14790	7.5
177.09053	9.4
178.09909	3.6
181.10075	3.4
181.12204	3.1
183.11749	4.4
185.09538	2.6
185.13228	16.4
187.11188	6.4
187.14864	3.5
189.12772	7.7
191.10654	2.6
191.14326	3.6
193.10017	2.3
195.11539	3.3
195.29039	2.5
196.12344	2.9
197.13258	5.0
199.11014	2.3
199.14717	1.8
201.12740	6.2
203.14281	26.1
204.14539	2.2
207.11928	3.6
207.13779	11.3
209.13219	7.0
209.15337	6.1
211.11169	2.5
213.12715	5.5
215.10713	2.0
215.14294	9.5
216.14996	3.0
219.13753	4.1
221.13324	3.1
221.15329	71.1
222.15823	2.7
223.14793	3.2
225.12823	2.8
225.16258	3.1
227.14255	7.9
229.12268	1.9
231.13736	3.9
233.15373	4.6
234.16069	6.3
237.14735	2.9
267.17377	2.0
274.19263	2.4
281.19058	3.6
285.18549	2.3
286.19171	3.5
287.20013	10.7
299.20114	3.8
303.19501	6.6
309.18539	2.5
327.19601	2.6
347.23422	2.8
359.60809	2.2
365.24756	14.4
383.25784	100.0
383.36865	5.5
384.26248	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	383.1502
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57019	0.9
51.27748	1.1
55.05493	3.9
55.93513	6.0
56.94289	4.2
59.13515	1.1
59.76982	1.0
67.05485	5.0
69.07047	1.5
70.06596	1.0
70.95847	7.4
71.57478	1.9
71.92982	2.0
72.93380	1.6
72.93774	20.3
74.95322	1.4
79.05471	5.4
81.03414	1.1
81.07041	11.2
82.95859	1.1
83.08594	1.4
88.96872	4.1
89.94035	1.1
90.94814	15.0
91.05447	4.6
93.07029	1.3
95.04927	1.1
95.08569	1.1
100.11209	2.6
101.81310	1.0
102.94746	1.8
105.06994	2.7
107.08555	1.8
108.95832	4.4
109.10122	1.3
110.07132	3.3
113.96383	2.4
116.96354	2.6
119.08570	1.3
126.98401	2.7
128.96310	5.9
130.97888	2.5
131.08476	1.3
132.95773	2.0
133.10147	1.5
134.97388	1.2
136.95341	1.8
138.98396	2.2
140.99947	1.3
142.97849	2.6
144.95784	2.8
144.99435	5.8
146.97389	4.8
148.98943	4.8
150.96849	1.8
151.02007	4.1
152.99991	1.4
154.97842	2.4
156.99432	3.5
158.97383	3.0
159.00975	2.0
162.96893	3.4
164.99997	4.2
165.03610	3.9
165.97095	2.0
166.97830	2.3
168.99422	2.7
170.97421	1.4
171.00999	1.9
172.98955	3.3
176.98433	2.1
178.97874	1.9
179.01456	1.1
179.05130	1.1
180.99416	3.2
182.15416	1.9
183.01013	1.9
184.98924	1.9
186.01271	3.3
187.00487	3.2
189.03577	3.1
189.28716	1.1
192.99426	2.7
193.03056	1.4
196.98990	1.2
199.00470	1.9
199.02118	2.6
201.03551	7.7
207.01021	1.3
210.14882	1.5
211.04097	2.0
213.01964	2.2
217.03088	1.6
221.02608	1.5
221.06276	1.5
223.04170	1.3
227.03636	4.1
229.05168	17.8
235.04085	1.3
237.05632	2.5
239.03464	2.1
239.07335	2.6
241.05202	4.4
245.04631	3.4
247.04016	1.5
247.06198	1.2
249.05754	2.1
252.06613	1.4
253.05124	1.7
255.06677	5.8
257.08221	8.3
265.05081	5.4
267.06732	100.0
268.07019	2.5
271.06155	4.8
279.08252	1.2
283.06183	4.5
285.07782	67.0
286.08032	1.6
291.10526	1.3
293.12027	1.0
295.06097	1.3
308.09351	16.3
309.09491	1.4
310.24222	2.6
311.12936	1.8
313.07281	2.2
347.12952	22.9
365.14014	29.0
383.15024	23.2
383.26196	3.6
388.15546	2.1
406.16904	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.9979
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85304	0.3
52.50078	0.2
54.44477	0.2
54.98639	0.4
56.96283	0.3
56.96558	6.5
66.99435	0.3
69.48068	0.9
69.48493	1.3
71.95268	1.2
80.22076	0.2
97.02883	0.4
98.21443	0.4
98.97568	64.2
99.97903	0.4
116.98604	57.9
117.98954	0.4
134.99640	31.4
140.00162	1.2
153.00691	4.9
158.01266	1.4
177.00861	0.6
181.95911	0.3
181.97267	0.5
192.98718	0.5
198.97647	0.3
216.61028	0.2
216.98666	1.4
217.98772	0.5
219.01993	1.0
225.96376	0.3
230.95512	0.3
233.96756	0.4
234.99770	3.3
235.99908	1.1
236.99849	0.4
240.98599	5.4
241.98630	0.4
242.69366	0.3
251.97888	0.4
254.95311	0.4
256.96603	0.4
257.96887	0.5
258.99738	53.2
259.99872	3.7
260.99756	1.3
261.03015	2.1
262.03046	0.4
263.02957	0.4
274.97617	1.0
275.97809	1.0
277.00784	100.0
278.00964	6.1
279.00833	1.7
280.00876	0.3
282.01279	1.5
282.99933	1.7
284.00049	0.5
284.04727	0.3
284.99747	3.2
291.02200	0.4
292.98648	0.6
293.98825	0.3
295.01846	1.7
298.97772	0.5
299.97943	1.2
300.02374	3.7
300.97791	0.4
301.00925	3.2
302.01181	0.8
303.00806	6.4
304.00894	0.4
316.98767	1.2
317.98892	3.1
318.98618	1.0
321.02081	0.3
322.94073	0.3
340.91736	0.3
340.95325	1.1
340.99045	0.4
341.99054	1.2
342.98456	0.6
346.94479	0.4
358.92813	0.4
358.99930	1.2
360.00027	3.3
360.99939	1.2
364.95255	0.3
380.96191	0.4
382.95584	1.6
383.00806	1.7
384.00781	0.3
400.97168	4.8
401.00974	8.1
401.96829	0.4
402.01819	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1443
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	1.5
57.03410	4.2
61.02905	4.5
67.97627	1.2
69.03426	9.2
70.39869	4.4
70.40244	2.5
72.08137	1.3
73.02895	2.1
74.02431	1.9
81.03394	5.6
82.02912	1.7
85.02890	32.8
87.04431	1.3
89.12303	1.1
94.06556	2.4
96.04476	1.3
97.02871	9.0
99.04418	2.3
103.03925	3.3
106.06550	1.7
109.02832	4.3
110.07134	2.2
115.03918	1.5
118.06503	5.7
119.01923	1.9
120.08134	1.5
123.05552	1.4
127.03886	5.9
129.06966	1.3
130.06502	55.4
130.07475	3.0
131.06877	1.4
132.04442	15.4
132.08040	4.2
134.05969	1.3
135.13190	1.2
136.06123	1.7
142.06491	1.6
143.07300	2.2
144.06870	2.1
144.08046	25.2
145.05127	1.9
145.06497	2.3
145.07579	22.1
146.06012	10.2
148.07507	4.6
154.06450	5.2
156.08012	4.8
157.07590	58.1
158.05989	47.7
158.07977	2.0
159.06419	1.5
159.09169	6.8
160.07556	3.7
161.02965	1.9
169.07594	8.2
170.05975	2.8
170.08318	1.9
171.06737	2.3
171.09117	6.6
172.07541	10.0
174.05470	6.3
174.07886	1.5
175.07100	2.6
175.08638	54.6
176.07039	2.9
180.08133	2.1
181.07480	2.5
182.08301	3.2
183.09120	17.2
184.06056	2.7
184.07542	3.0
185.07059	13.1
186.05579	3.5
186.07799	4.1
187.08652	2.8
188.07054	2.7
190.08585	2.3
190.43602	1.3
196.07590	1.6
197.06947	1.4
199.08607	9.2
200.07042	17.3
201.10179	1.3
202.07027	1.5
203.08119	100.0
204.06476	4.1
204.08339	2.7
209.07086	8.1
211.08670	1.3
215.08089	2.6
216.08885	3.8
217.09679	28.3
221.09157	54.0
222.09427	1.6
227.08147	8.4
228.06390	3.3
231.07545	5.6
238.08670	1.5
245.09181	24.8
257.09106	1.7
263.10233	50.4
275.10349	1.7
283.10608	2.0
287.10269	2.7
299.10196	6.5
311.10339	1.5
323.06055	2.3
326.18637	1.7
329.11246	4.0
347.12363	12.1
348.10608	10.2
365.13376	35.8
383.08035	8.7
383.14346	38.3
397.40482	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.2052
Annotation	vis-Miaphenone C
Peak:m/z	Relative Intensity
53.03922	0.5
55.01833	0.4
55.05477	0.7
57.03403	0.4
57.07043	0.6
65.03911	0.4
67.05221	0.2
67.05491	2.4
69.03400	0.7
69.07030	0.9
71.04959	0.8
71.08593	0.3
71.63811	0.3
79.05470	4.5
81.03361	0.2
81.07045	1.2
83.04939	0.6
83.08584	0.3
85.06471	0.2
89.05984	1.0
91.05457	9.3
92.05770	0.3
93.06467	0.3
93.07021	4.1
95.04937	1.2
95.08569	0.7
97.06492	0.2
103.05464	1.6
105.03349	0.5
105.07010	6.0
107.04926	1.7
107.08582	1.7
109.06474	0.5
111.08023	0.2
115.05408	1.2
116.06194	0.7
117.06988	8.0
119.04905	0.3
119.08546	1.4
121.06496	1.8
121.10109	0.6
123.04387	0.5
128.06197	0.7
129.06987	1.2
130.07753	2.2
131.04874	0.7
131.08539	0.7
133.06448	0.3
133.08614	0.6
134.08875	0.3
135.04395	1.1
135.07973	0.5
135.11617	0.6
137.09549	0.7
141.06882	0.2
143.08505	1.3
145.06415	1.4
145.10089	9.9
146.10486	0.3
147.04402	0.4
147.11659	0.5
149.04762	0.3
149.05957	4.1
153.06975	0.9
155.08521	3.5
158.07217	0.4
161.05974	0.8
162.06725	1.7
163.07555	0.2
163.11140	3.5
165.09015	0.5
171.07979	0.3
171.11668	0.3
173.09576	16.7
174.09903	0.6
189.09070	0.3
191.10622	51.7
192.10941	2.1
195.12180	1.1
196.12572	1.0
217.12149	0.5
268.22702	0.4
279.13696	0.5
321.14560	0.3
363.19235	0.3
368.22446	0.3
381.20505	100.0
382.20837	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.2066
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76781	0.8
53.03926	1.5
55.01851	5.2
55.05499	6.5
56.05021	2.3
57.03429	2.5
60.04519	8.6
61.02915	2.8
67.05489	5.5
69.03419	8.0
69.07055	8.1
70.06583	10.3
71.01380	0.8
71.04982	10.1
71.61996	1.5
72.08138	4.8
73.02899	1.0
74.06079	1.7
76.03931	0.9
79.05484	9.5
81.03398	3.9
81.07046	9.7
83.04967	3.2
83.08599	2.0
84.04482	2.4
84.08144	6.8
85.02892	19.6
85.06527	5.2
86.09694	10.2
87.00826	3.3
87.04468	10.4
90.94801	1.3
91.05468	4.8
92.25387	1.1
93.07032	11.3
95.04975	1.6
95.08604	3.0
97.02876	8.2
97.06516	13.4
98.97573	1.1
99.04448	3.4
99.08075	7.0
104.07157	1.2
105.01848	5.2
105.07030	2.8
107.04962	3.1
107.08577	19.7
109.02877	4.6
109.10135	1.2
110.07146	8.8
111.04440	3.8
113.05211	1.9
113.05993	34.6
115.03916	6.0
117.09158	2.0
119.04943	2.0
119.08554	1.4
120.08085	3.1
121.06481	0.9
121.10135	22.1
123.08068	2.4
125.05984	13.2
125.09615	32.0
126.09995	1.0
127.03882	9.3
129.05519	1.0
129.07018	1.1
129.10223	3.4
131.04962	1.0
131.08562	8.5
132.95807	1.0
135.04407	2.2
136.06169	1.7
136.07559	5.0
137.09550	1.3
139.11153	16.1
143.07057	2.2
144.95790	1.4
145.04895	5.0
147.04395	3.4
149.09589	16.7
156.07759	1.1
163.03934	4.3
164.07086	1.4
165.05521	1.0
167.10652	35.4
167.12079	1.9
168.10951	1.0
173.12888	1.5
178.13420	2.0
179.03439	5.0
182.08124	1.5
185.11702	74.4
186.12099	1.8
191.03415	1.9
192.10220	1.1
194.00229	1.0
201.12425	2.1
203.12755	100.0
204.13130	3.5
220.11870	1.2
223.15587	2.3
227.50410	0.9
231.04958	2.9
234.98984	1.7
237.02536	1.2
237.12366	1.2
238.02391	1.6
239.02164	2.4
249.06085	1.2
251.15009	3.1
255.00009	1.1
262.99915	2.7
364.01706	1.8
364.26846	1.8
382.06870	2.2
382.11249	1.1
382.24435	0.9
382.28149	7.7
383.03613	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.0786
Annotation	Piclamilast
Peak:m/z	Relative Intensity
55.07542	1.6
58.95867	1.6
61.09664	1.8
63.65380	1.5
66.90241	1.4
69.52862	13.3
90.47842	1.8
92.61557	1.9
114.60493	1.7
202.58881	1.7
381.07861	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.0939
Annotation	Unknow
Peak:m/z	Relative Intensity
55.93517	4.6
56.96574	4.4
60.04518	10.6
62.06077	5.9
66.12148	3.7
66.85062	4.2
67.05496	4.3
69.03415	8.4
69.07025	4.2
70.06586	76.7
71.04954	6.6
71.61720	7.5
71.62115	5.4
72.08134	13.8
72.93768	5.8
74.06054	5.6
81.03403	5.5
84.04446	6.4
84.08139	20.7
85.02898	14.9
86.03199	4.3
86.09713	9.8
87.00810	6.9
90.94815	7.3
91.05443	7.4
97.02907	8.8
98.06036	6.6
98.97565	10.8
102.05493	5.2
105.01836	10.9
106.05057	4.5
107.04933	4.6
109.10157	4.5
112.07574	14.7
116.07069	13.4
116.98589	4.3
119.04930	12.6
120.08114	8.6
122.03616	3.9
127.03909	11.9
128.04248	3.4
129.10219	13.8
134.99597	4.3
136.07539	6.8
138.02361	4.3
140.06979	4.6
141.10197	10.9
146.05296	5.3
146.99570	5.2
147.04393	44.2
149.01225	4.1
158.08080	20.8
158.97346	6.5
158.99399	4.2
163.03894	10.8
169.09737	8.1
176.98425	4.2
188.98413	4.4
199.37653	3.8
213.12294	8.8
219.13466	7.6
221.22971	3.8
233.09230	4.5
234.98993	16.1
236.98450	5.4
237.02652	14.9
243.13406	5.1
260.98297	10.1
261.14517	16.3
278.99316	5.1
309.44666	4.9
321.06430	6.7
333.00229	4.9
347.18567	4.6
363.01508	16.9
381.02408	8.3
381.09018	100.0
381.21179	8.6
388.50287	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	380.2278
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.4
55.01863	10.1
55.05500	7.7
57.03425	18.5
57.07072	4.7
59.04983	3.0
61.02907	3.4
64.10369	0.8
67.05489	6.7
69.03419	1.7
69.07056	8.2
70.02529	5.5
71.01342	8.7
71.04982	25.8
71.08610	2.8
73.02906	6.5
79.05485	3.3
81.03365	0.8
81.07046	11.5
83.01321	4.0
83.04977	1.6
83.06084	1.5
83.08604	13.4
84.99231	0.9
85.02888	3.1
85.06526	1.4
87.00832	1.6
87.04458	11.7
89.02378	7.0
91.05476	2.3
93.07042	5.2
95.04939	2.0
95.08595	10.9
97.06508	3.2
97.10151	3.9
99.00813	0.8
101.02363	23.4
103.03933	3.2
105.06999	3.0
107.08574	3.5
109.06542	1.2
109.10132	1.8
110.07140	7.1
111.00804	2.2
113.02360	1.3
115.03911	44.5
119.03426	1.7
119.08585	1.2
121.10121	2.3
123.08061	1.2
127.03913	1.4
128.18150	1.0
129.01828	19.3
131.03401	1.8
133.04947	3.3
133.10086	1.8
135.11661	1.8
137.05959	1.8
137.13214	10.7
139.07526	1.1
139.14827	1.2
141.01860	1.7
143.03378	32.0
143.04495	2.0
145.10164	0.9
147.02888	1.4
147.04483	0.9
147.11670	1.5
149.13217	1.4
152.05627	2.8
155.03430	1.6
155.14337	1.1
156.17580	1.0
157.01299	39.5
159.02802	2.0
161.04425	14.7
171.02844	4.3
173.04437	7.8
175.02312	4.0
175.14824	1.1
176.91653	0.8
178.67229	1.0
189.03912	100.0
189.12650	1.1
190.04268	1.5
191.14322	1.0
193.15897	3.3
195.17416	4.7
205.12215	1.2
205.15846	3.6
207.04976	27.5
219.13786	1.2
221.15448	1.3
223.13268	1.1
223.16901	2.2
231.13766	1.7
235.13251	1.5
237.14804	1.9
241.23933	0.9
249.14859	3.2
251.16293	0.9
259.13339	1.2
267.15942	5.9
272.36523	1.0
277.14221	4.2
289.26410	2.0
291.15924	3.5
295.15405	5.2
309.16983	9.7
313.16257	1.4
318.23932	1.5
327.17966	22.8
334.28595	2.4
336.28656	2.2
345.19183	2.9
380.28589	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	380.3513
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.6
55.01865	0.5
55.05494	3.2
56.05015	1.1
57.03418	0.7
57.07053	1.8
64.19891	0.5
67.05488	4.1
69.03422	0.8
69.07051	3.5
70.06567	0.7
70.70380	1.4
71.08588	0.6
72.04494	1.5
74.06066	2.0
79.05466	2.0
80.05006	1.0
81.07036	3.2
82.06561	1.1
83.04964	0.8
83.06051	0.6
83.08611	2.3
88.07635	0.7
91.05455	2.2
92.78151	0.5
93.07019	2.4
94.06554	1.4
95.04934	1.7
95.07339	0.7
95.08594	4.5
96.08097	0.7
97.06504	1.5
97.10149	0.8
100.07594	1.8
105.07009	1.7
107.06081	0.5
107.08553	2.6
108.08074	2.8
109.10126	2.0
110.07129	2.4
110.09659	0.8
112.07586	1.1
113.09631	0.8
119.08539	1.6
120.06525	0.8
121.06451	0.9
121.10111	1.6
122.09623	1.8
123.08062	0.6
123.11729	0.7
124.07555	10.4
125.09592	0.8
126.09116	1.5
131.08549	0.8
133.10085	1.0
136.11243	0.6
138.09119	2.1
139.09872	1.2
140.10687	1.4
145.10091	0.9
152.10666	3.9
153.11501	1.1
155.10680	0.7
156.09439	0.5
157.10104	1.1
159.11647	0.7
164.14343	0.8
166.12210	0.8
171.11687	0.5
173.09547	0.6
176.21204	0.5
178.15916	1.1
184.16936	0.7
185.13231	1.0
192.17447	1.7
198.18457	1.1
206.18968	1.3
208.16931	1.6
210.18520	1.2
213.12683	1.0
220.20549	1.2
222.18442	4.2
224.20042	1.7
226.21585	1.6
234.22163	1.9
236.20061	2.0
236.23723	0.6
238.21619	1.0
239.14450	0.5
250.21625	4.5
251.21918	0.7
252.23204	1.0
262.25363	0.6
289.26331	0.8
290.28479	2.7
298.19128	0.6
306.24359	0.7
307.13751	0.7
313.88104	0.5
334.31113	1.7
336.28897	12.6
336.32501	100.0
337.29147	1.5
337.32904	6.5
338.34137	1.1
359.17325	1.1
365.60748	0.5
380.31400	9.0
380.35263	90.9
381.24207	2.6
381.31604	0.7
381.35583	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	380.2096
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.9
55.01858	1.8
55.05502	8.7
57.03413	0.8
57.07061	1.6
58.99569	3.1
65.03942	1.0
67.05493	22.6
69.03413	2.1
69.07055	8.1
70.05043	4.8
70.06577	9.3
71.04974	9.2
72.08137	2.0
74.93616	0.7
76.02215	4.3
79.05483	14.9
81.03383	1.0
81.07047	35.9
82.07362	1.3
83.04958	1.8
83.08608	6.7
84.08124	4.4
85.02895	3.0
85.06537	6.4
86.09689	4.8
86.99021	2.6
87.02671	1.2
87.04424	1.4
88.03984	2.5
91.05466	6.9
93.07027	16.5
94.07359	1.2
95.08591	42.9
97.06514	3.2
97.10148	5.8
99.08070	2.3
105.00058	3.2
105.07012	5.6
107.04910	0.9
107.08572	14.1
107.46838	0.9
109.02879	1.8
109.06477	1.4
109.10136	16.7
110.10504	0.7
111.04439	1.0
111.08064	2.3
112.60407	0.8
115.03935	1.0
115.05497	1.1
116.61537	0.8
117.06995	3.2
119.08546	7.0
120.08055	2.3
121.06464	1.3
121.10127	21.2
122.02696	4.4
122.10477	1.1
123.08029	4.1
123.11687	7.6
125.06017	1.0
127.03909	1.6
127.07539	1.5
129.10208	2.1
131.08554	8.6
133.10080	3.4
135.08031	2.6
135.11655	3.4
136.07553	1.1
137.13187	2.1
139.07568	2.3
139.11125	1.1
141.09056	1.2
145.10097	10.7
147.11662	1.7
149.09587	2.1
149.13310	0.9
151.14806	1.3
153.09053	2.5
159.11603	2.4
161.13210	4.3
163.11151	1.4
163.14798	25.2
164.15186	1.2
165.12726	1.0
167.10629	2.2
169.15852	1.5
173.13229	2.0
175.07463	1.2
177.16412	2.6
179.17953	1.6
181.15865	7.0
183.13684	1.4
187.14795	15.0
193.16125	1.1
197.18932	5.4
199.16734	1.1
201.01587	2.6
201.12740	1.1
201.14764	0.9
203.06975	2.5
205.15857	12.0
211.34850	0.9
219.02635	2.6
223.16905	15.1
231.06543	2.1
231.22884	0.8
241.17911	14.1
249.07539	1.1
252.15729	2.9
255.14183	2.8
259.18994	12.5
266.13602	1.4
273.15210	1.8
281.15723	1.5
299.16785	2.5
317.17593	1.2
334.11566	0.9
345.17087	2.0
362.19928	1.9
363.18201	6.7
380.20868	43.3
381.07867	100.0
381.20975	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	380.1911
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.7
55.01871	2.3
55.05502	1.9
57.03429	1.5
57.64848	0.4
61.02909	1.8
67.05493	12.9
69.03415	3.5
69.07059	1.3
69.60827	3.8
70.06579	1.5
71.04980	1.5
72.08138	0.8
73.02901	1.1
74.06062	0.8
74.09126	0.5
74.74791	0.5
77.51941	0.4
77.74149	0.5
78.54768	0.4
79.05486	1.6
81.03389	1.7
81.07040	10.6
83.04961	0.5
84.08131	1.1
85.02888	10.7
86.09677	1.3
91.05460	2.0
93.07042	2.6
95.04955	2.4
95.08590	8.2
96.08923	0.5
97.02889	3.5
97.06544	0.8
99.04442	2.1
99.08045	1.3
105.07056	0.8
107.08583	1.9
108.73604	0.4
109.02839	1.2
109.06490	0.6
109.10138	51.6
110.10477	0.9
113.05968	1.0
119.08553	2.6
120.08047	2.4
121.10142	1.9
123.11659	1.1
125.05972	6.9
127.03866	2.5
127.07520	0.4
129.10229	0.8
137.09593	85.6
138.09952	1.7
145.04918	1.8
147.08046	0.5
155.10643	29.2
156.10953	0.5
163.06010	0.6
165.09082	47.8
166.09431	0.9
180.08676	2.3
183.10130	23.4
187.14400	0.8
199.13329	0.6
201.11185	100.0
202.11613	2.4
218.13802	1.0
219.12215	3.4
221.12813	0.6
270.34100	0.4
309.13382	0.7
380.20227	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.2837
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35702	2.4
53.03937	4.7
55.05503	42.7
57.03424	4.2
57.07060	10.2
65.03944	2.8
66.28709	2.2
67.05495	81.2
69.03407	4.9
69.07053	20.6
69.66991	19.5
71.04984	16.7
71.08621	5.8
73.06544	3.9
79.05484	63.8
80.60939	2.6
81.07048	87.2
82.29340	2.4
83.04967	100.0
83.08611	11.5
85.06529	7.0
85.10146	3.3
87.62633	2.3
89.06024	3.8
90.08237	2.5
91.05464	33.7
93.06458	5.8
93.07031	80.8
95.04946	7.6
95.08595	68.5
97.06502	5.8
97.10168	5.4
99.04433	3.9
99.08041	3.1
101.06010	55.0
105.07017	25.5
107.04882	2.2
107.08582	42.9
109.06525	3.0
109.10146	35.6
113.09662	2.4
117.06991	13.6
119.08569	23.2
121.10121	53.6
123.11716	15.2
131.08545	23.8
132.08871	2.6
132.71535	2.6
133.10130	17.3
135.11682	35.1
136.12012	2.4
137.09511	2.6
137.13315	2.8
142.06384	2.5
143.08597	3.0
145.10088	17.6
147.11658	12.9
149.13237	18.4
157.10162	2.8
159.11682	16.2
161.13223	10.0
163.14789	9.3
173.13232	13.8
175.14848	3.2
187.14784	9.4
195.12102	3.8
201.16435	4.8
209.15388	2.5
243.21013	12.0
261.22110	71.6
262.22241	2.9
279.23294	6.5
335.35297	3.3
379.28391	12.0
379.33435	3.9
379.37793	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	380.1547
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.7
55.01867	8.5
57.03417	5.1
58.01350	1.1
61.02927	5.7
64.39950	1.1
68.99776	1.6
69.03422	37.9
69.07047	2.0
70.32839	1.0
71.01330	1.5
71.04968	4.8
71.06134	1.4
71.06466	2.2
73.02918	5.9
79.05466	3.5
81.03412	22.8
81.07032	3.7
84.53533	1.0
85.02895	100.0
86.09663	1.5
87.00821	45.2
91.05457	3.1
93.07021	1.8
95.04954	3.3
95.08569	2.0
97.02881	29.1
97.06516	7.1
99.04447	13.6
103.03937	1.6
105.01852	86.3
108.04462	2.2
109.02866	31.3
115.07532	1.9
117.01816	1.3
121.06471	4.1
125.05968	1.3
127.03905	77.1
128.04236	1.1
129.01851	2.7
139.07573	1.2
141.67653	1.4
145.04944	37.6
147.02867	2.4
151.07570	2.0
159.02887	13.3
159.07996	1.4
163.07553	1.2
165.05499	1.6
165.09216	1.5
177.09024	1.7
187.07483	1.5
189.03935	5.2
205.08540	4.2
213.03889	3.8
230.06468	1.3
231.04968	25.4
248.07532	1.8
249.06044	12.1
295.34570	1.1
327.10901	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.0992
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74116	0.3
52.39308	0.3
55.05499	2.0
56.05006	0.4
57.03406	0.5
61.02908	0.6
64.15964	0.3
66.59170	0.3
67.05492	0.7
69.03410	1.4
69.07043	1.0
70.06577	1.9
71.02317	1.2
71.04991	0.5
71.21118	0.4
72.08146	23.7
81.03421	0.8
81.07038	0.5
84.04494	0.9
84.08109	1.4
85.02874	1.7
86.09692	8.7
87.05586	1.2
87.09995	0.6
91.05466	0.8
94.94218	0.4
96.08090	0.7
97.02879	0.9
97.06506	0.5
98.02370	0.5
103.05412	0.6
104.05346	0.4
105.07010	0.4
107.06070	0.4
109.02827	0.4
116.33564	0.4
120.08092	16.3
121.10167	0.4
124.05072	0.6
127.08635	1.9
129.10222	16.2
130.06516	0.4
141.10199	2.1
142.06047	0.4
149.05960	0.7
150.06541	0.5
157.09702	5.2
166.08623	7.7
169.07147	0.6
169.09726	1.6
177.10213	3.2
179.05649	0.4
182.12744	0.5
185.04175	5.1
186.12337	8.0
193.07292	0.4
214.11823	4.2
217.04703	14.5
223.10725	12.5
244.09172	0.4
246.12231	0.6
249.13486	1.5
253.05475	1.1
266.08954	1.0
291.14426	1.6
302.11600	0.7
319.13953	0.9
332.15906	0.7
334.15018	1.1
336.16553	0.8
343.07779	0.4
351.17636	0.7
361.18619	2.0
379.09927	100.0
380.10333	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1381
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36899	0.3
52.44815	0.2
53.03933	0.6
55.01861	2.6
55.05492	0.8
57.03419	0.8
57.07065	0.3
59.04983	0.3
59.88620	0.3
65.03931	2.2
67.05495	1.0
68.99768	0.5
69.03412	1.6
69.07061	0.8
69.81673	1.8
70.06579	2.8
71.01349	0.7
71.04966	1.0
72.08133	0.8
73.02911	0.4
79.05474	0.9
81.03394	3.4
81.07046	2.7
83.08603	0.3
84.08131	1.7
85.02893	6.1
85.06520	0.4
86.09692	1.3
91.05465	100.0
92.05799	1.5
93.07025	1.2
94.11240	0.3
95.04952	0.7
95.08584	2.1
97.02867	1.9
99.04430	3.3
103.03926	5.4
103.05424	0.6
105.07020	3.5
107.04926	0.4
107.08594	1.0
109.02856	3.6
109.10147	1.9
111.04427	0.6
111.08086	0.5
115.05448	1.0
117.06991	5.8
119.08591	1.4
120.08081	0.8
121.06519	0.3
121.10132	0.9
123.11694	0.9
127.03906	5.6
128.06207	2.9
129.05461	1.2
129.06984	7.5
129.10234	0.8
130.97902	0.3
131.04912	0.6
131.08548	0.8
132.95837	2.2
133.06474	2.0
133.10161	0.4
135.11665	0.7
136.07532	0.3
137.09589	1.1
137.13266	0.7
139.11130	0.5
141.06932	0.8
143.08525	4.0
145.04948	5.0
145.06471	5.4
145.10101	0.3
147.08034	1.7
147.11606	0.7
149.05942	0.4
149.13234	0.4
150.96912	1.8
153.06964	1.8
153.12715	0.3
155.04909	2.6
155.05992	0.6
155.08496	0.4
155.10660	0.5
157.06429	1.7
159.08051	0.6
161.05910	0.5
162.96828	0.5
165.09099	0.5
169.06439	0.7
171.07999	4.1
171.09294	0.3
172.98978	0.8
173.05957	4.9
174.96921	0.3
175.07510	2.2
181.06470	0.8
183.10135	0.4
187.05966	1.0
187.07457	0.3
189.09099	0.4
191.00130	0.5
198.96996	0.5
199.07494	9.7
201.11214	1.2
201.51366	0.3
215.00000	0.8
216.97960	1.1
217.08562	5.2
217.12091	0.3
235.09729	1.5
243.11116	0.3
252.79495	0.3
258.13681	0.4
258.98956	0.3
259.09769	0.6
277.00031	1.2
277.10678	2.3
277.25128	0.3
307.26117	0.5
319.01212	0.5
361.12744	0.7
379.09964	0.4
379.15106	0.5
385.46829	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.3042
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54779	0.9
53.03927	3.6
55.01848	3.7
55.05500	100.0
57.03412	1.1
57.07063	43.8
58.29643	0.9
65.03911	1.2
67.05492	13.3
69.03412	1.3
69.07053	23.2
69.94519	2.2
69.94930	3.7
71.04958	2.8
71.08618	42.2
73.06548	1.2
79.05035	1.5
79.05473	12.1
81.03407	1.7
81.06570	1.6
81.07042	25.2
83.04956	2.3
83.08603	55.8
84.08968	1.0
85.06516	3.2
85.09704	1.6
85.10165	21.9
89.06015	52.9
91.05465	6.2
92.05962	0.9
93.07026	13.3
95.04926	1.5
95.08591	12.0
97.06499	4.3
97.10139	2.1
98.21371	1.8
99.08065	6.2
99.11688	4.1
105.07008	7.2
107.07059	5.4
107.08593	9.1
109.06474	2.3
109.10098	3.9
111.08040	2.4
111.11686	1.4
113.09633	1.0
113.13217	2.0
115.07539	6.3
117.07002	1.6
119.08559	6.0
121.10109	10.5
123.08068	1.9
123.11715	1.6
123.71997	1.0
125.09596	10.5
127.14773	2.1
129.01826	1.1
130.08650	1.9
131.08549	2.9
133.07620	1.9
133.08571	26.2
133.10106	3.5
135.11664	12.7
136.87645	1.0
139.11128	1.1
143.08527	1.1
145.10072	4.1
147.11639	7.0
149.13200	3.7
151.09619	3.3
159.11649	2.7
161.13242	3.4
163.11220	1.3
163.14749	2.8
163.16267	1.0
165.12714	3.1
171.11652	2.1
173.13222	2.6
175.14764	1.0
177.11180	7.7
181.08508	1.4
181.12209	1.1
185.08124	1.2
195.12248	30.7
195.13828	1.9
200.43501	0.9
211.23137	1.2
215.56178	0.9
223.37906	1.0
241.19484	3.4
259.20486	4.6
268.26678	1.0
277.21573	32.4
278.21878	1.7
295.22614	18.8
296.22879	1.2
302.98343	1.0
334.34369	1.2
377.17520	2.1
377.24951	1.5
377.32385	8.9
377.36542	4.8
386.62717	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.2317
Annotation	7-hydroxy-D4-neuroprostane
Peak:m/z	Relative Intensity
52.69351	2.9
53.03936	11.1
55.01872	16.2
55.05502	28.9
57.03425	9.7
57.07066	6.1
67.05497	57.1
69.03427	31.2
69.07057	25.5
70.75755	6.0
70.76160	7.4
71.04978	10.5
72.08203	3.0
73.02908	4.1
79.05482	57.9
81.03403	42.4
81.07049	70.9
82.07368	3.0
83.04971	20.6
83.08604	14.8
85.02882	16.5
85.06503	5.0
87.04450	5.9
87.18544	2.9
90.60148	3.2
91.05464	65.0
93.07035	66.7
95.04939	18.0
95.08584	48.6
97.02888	14.5
97.06510	12.1
97.10166	5.2
99.04435	8.2
99.08083	6.5
101.27716	3.1
103.03926	5.0
105.07021	68.8
105.21561	3.3
107.04935	15.1
107.08583	33.8
109.02893	14.9
109.06519	13.0
109.10123	20.7
111.04417	16.9
111.08089	6.3
115.05440	6.1
117.07003	44.3
119.08569	49.1
121.06458	6.0
121.10127	32.3
123.04417	7.5
123.08037	9.0
123.11709	6.9
125.05977	4.4
127.03851	6.7
128.06244	8.5
129.05402	3.5
129.06941	22.4
131.08540	42.9
132.90843	3.1
133.06487	12.7
133.10101	38.6
135.08047	15.2
135.11699	18.2
137.05962	3.9
137.09608	9.2
139.07460	4.0
141.06963	13.6
142.07762	5.6
143.08583	20.1
144.09274	3.9
145.06516	6.3
145.10120	44.2
147.08055	7.6
147.11688	30.3
149.09570	11.2
149.13234	5.2
151.07503	4.1
153.07111	3.2
155.08499	15.5
157.10130	21.8
159.08049	8.0
159.11673	34.3
161.09615	15.2
161.13266	7.9
163.07541	4.6
163.11182	11.6
165.09087	3.2
167.08490	3.8
169.10114	14.6
171.07986	6.3
171.11658	22.8
171.34222	2.8
173.09615	10.8
173.13229	12.3
175.07700	3.0
175.11159	8.9
175.14809	4.3
177.12704	4.7
179.10628	4.0
181.08592	8.1
181.10066	4.8
183.11667	13.5
185.09541	6.0
185.13249	10.8
187.11137	9.2
187.14749	5.8
189.12755	5.4
195.11580	4.8
197.13229	4.3
199.11121	8.7
199.14719	3.8
201.12737	7.7
203.10661	4.6
205.12259	5.5
209.13210	3.8
211.14687	4.4
213.12747	5.8
213.16325	8.9
214.20526	3.7
215.14288	3.7
215.17964	9.6
220.99280	3.9
225.12849	4.4
225.16344	7.0
227.17984	6.2
231.17418	7.3
233.19040	4.6
243.13640	6.5
243.17447	8.4
245.18958	7.4
249.18497	7.6
254.67201	3.3
257.18921	4.7
261.18463	5.8
263.20020	4.8
269.19040	4.0
273.18375	11.7
275.19998	12.3
281.18698	4.5
285.18433	3.9
287.20059	11.2
291.19537	4.3
295.20615	4.6
299.20029	8.3
303.19562	7.8
313.21652	11.1
317.21210	14.7
323.19952	13.1
331.22458	4.6
341.21103	45.0
356.15213	3.4
359.22116	69.4
360.22589	3.6
377.14200	4.5
377.23001	100.0
378.23102	5.8
400.09955	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.2892
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	9.8
54.04256	4.1
55.01861	17.5
55.05498	19.3
57.03427	9.4
57.07062	7.2
59.04989	11.1
61.01148	5.6
65.03920	5.0
67.05499	29.9
69.03421	35.6
69.07049	40.6
70.06571	12.2
71.04984	34.6
73.02882	5.6
73.06560	4.7
78.56747	3.3
79.05478	19.7
81.03402	33.9
81.06567	5.8
81.07042	100.0
83.04978	7.8
83.08602	19.6
84.04473	4.2
84.08138	8.8
85.02892	54.2
85.06510	6.0
86.06020	3.5
86.09698	8.2
87.00817	21.8
89.06023	10.2
90.99510	3.4
91.05463	22.7
93.07031	81.7
95.04961	33.5
95.08588	58.8
97.02867	17.0
97.06519	16.4
97.10141	4.6
99.04440	13.8
99.08078	9.1
102.99673	3.5
103.07574	5.9
105.01855	12.4
105.07027	27.5
107.04939	6.5
107.08581	34.4
109.02861	29.6
109.06487	17.8
109.10138	31.1
110.07189	3.9
111.08056	38.7
111.11717	4.6
113.09609	4.8
113.81438	4.0
114.15159	4.0
117.07007	8.5
119.08566	20.8
120.08060	6.4
121.06470	15.7
121.10122	42.7
123.08062	8.1
123.11671	24.3
125.09591	6.7
127.03899	36.9
127.07532	4.2
129.07019	4.6
129.09096	41.9
131.04936	3.8
131.08549	14.2
133.10114	13.4
135.04237	3.9
135.08087	6.5
135.11691	18.1
137.09610	5.4
137.13248	9.0
139.07492	5.7
139.11147	13.2
143.08527	6.9
145.04962	15.3
145.08585	5.3
145.10101	14.7
147.04391	5.0
147.11658	15.4
149.09532	6.3
149.13222	5.3
151.11134	13.4
153.12740	7.0
155.10661	4.7
157.10120	13.8
159.02872	12.3
159.08223	5.4
159.11665	14.6
161.13197	7.3
163.07640	3.7
163.11134	4.8
163.59879	3.5
165.12776	5.5
167.10658	14.0
171.11803	6.5
173.09492	3.6
173.13240	10.8
175.14838	5.4
179.08493	4.1
181.12183	11.3
187.11192	5.7
187.14835	5.2
189.12738	3.6
189.16476	4.2
203.17981	4.7
206.15373	10.2
213.16345	19.7
215.10695	4.7
231.17397	10.7
233.11568	5.8
247.14772	6.2
249.18518	11.3
259.09634	12.6
267.19586	6.6
287.23761	5.2
305.24805	11.9
317.11115	5.6
323.25705	8.5
377.15613	4.9
377.23819	4.7
378.17062	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	377.2316
Annotation	7-hydroxy-D4-neuroprostane
Peak:m/z	Relative Intensity
53.03937	10.9
55.01852	11.6
55.05502	28.3
57.03419	11.3
57.07060	10.1
65.03938	6.4
67.05497	56.9
68.11935	3.7
69.03412	24.5
69.07055	31.6
69.54580	7.1
69.54978	22.2
70.06557	4.6
71.04978	12.9
79.05482	50.1
80.05813	4.5
80.79610	3.5
81.03406	38.4
81.07046	70.3
83.04977	17.8
83.08602	17.6
85.02888	14.2
85.06517	5.2
85.10187	5.2
87.04436	5.5
88.07617	5.6
91.05463	58.3
92.17723	5.2
93.07023	62.1
95.04966	23.3
95.08589	61.1
97.02873	14.6
97.06527	7.2
97.10113	4.3
99.04485	8.0
99.18507	3.6
100.09695	3.3
102.09150	5.2
105.03374	16.4
105.07011	55.7
107.04922	7.2
107.08578	39.6
109.02872	9.1
109.06512	21.3
109.10167	19.2
111.04427	13.4
113.06065	4.2
115.05450	5.8
117.07006	39.6
119.04926	4.4
119.08559	56.3
120.94117	3.5
121.06494	11.6
121.10138	25.4
123.04396	4.2
123.08071	13.3
123.11687	4.3
125.09612	5.7
127.03918	5.6
128.06242	9.0
129.05496	6.8
129.06985	27.2
130.07693	4.8
131.08543	37.2
133.06483	15.1
133.10106	37.9
135.08026	13.8
135.11655	21.5
136.06160	36.1
137.09564	7.8
141.06987	8.7
142.07771	7.6
143.08539	21.2
145.06467	8.9
145.10106	40.5
147.08020	8.4
147.11684	22.4
149.02303	6.8
149.05945	29.9
149.09631	15.8
149.13231	8.0
151.07497	6.4
151.11171	4.7
154.07619	3.8
155.08531	11.9
157.06418	4.3
157.10088	18.3
159.08020	12.8
159.11668	32.1
161.09628	7.9
161.13251	14.1
163.07640	5.8
163.11150	8.5
165.01938	4.4
165.09111	5.6
165.12679	4.3
167.08577	7.1
169.10127	14.7
170.42259	3.8
171.08003	7.9
171.11644	23.9
173.09618	8.7
173.13232	22.0
174.57463	4.2
175.11140	9.2
177.12781	5.1
179.03349	7.1
183.11668	12.2
185.09715	5.6
185.13251	13.4
187.11172	14.2
187.14812	7.4
189.12758	7.3
191.10585	5.5
193.01334	13.9
195.11702	5.8
197.13275	8.3
199.11176	7.3
201.12637	9.1
203.10620	4.3
211.14815	6.8
213.12856	5.9
213.16325	5.9
215.18057	7.6
219.13834	5.2
227.17926	11.5
229.12282	5.4
229.15858	7.2
245.19101	11.7
249.18486	5.8
256.26300	18.5
261.14914	4.4
261.18405	10.4
271.20630	4.8
273.18454	6.6
275.20108	11.5
285.18845	4.2
287.20151	8.4
291.28815	18.7
299.19824	6.5
303.19598	5.9
303.23050	4.4
313.21506	9.3
317.20972	12.4
323.19971	15.4
329.20804	4.0
331.22592	5.4
341.21069	47.1
359.18277	6.2
359.22232	60.2
360.22247	5.3
377.18600	6.6
377.23160	100.0
377.27072	6.7
377.32278	34.6
378.23486	6.9
378.29922	36.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.2317
Annotation	Resolvin D1
Peak:m/z	Relative Intensity
51.62201	2.0
53.03931	6.9
55.01861	12.8
55.05503	31.1
57.03439	11.3
57.07056	7.2
60.43740	2.5
65.03958	3.0
67.05498	64.9
69.03418	49.3
69.07063	30.4
69.29420	9.2
69.29841	17.5
71.01340	4.2
71.04983	14.3
73.02888	4.9
76.99780	2.5
77.03959	2.3
78.42220	2.6
79.05482	60.5
81.03409	43.9
81.07047	65.6
83.04977	12.9
83.08603	15.5
84.08122	2.4
85.02879	14.3
85.06541	6.0
86.70335	2.1
87.04469	14.7
91.05473	66.9
93.07037	62.7
95.04964	19.5
95.08593	48.8
97.02885	20.9
97.06538	11.6
97.10152	5.0
99.04434	6.2
99.08075	5.1
103.03935	2.7
103.05399	3.3
105.03394	2.5
105.07016	63.9
107.04938	12.6
107.08578	39.3
109.02847	10.6
109.06489	15.3
109.10137	22.4
111.04451	14.1
111.08077	9.0
113.06010	2.6
115.03940	5.2
115.05416	8.4
117.06996	36.8
119.04881	4.1
119.08558	51.6
121.06503	12.6
121.10117	33.7
121.49941	2.3
123.04437	6.2
123.08046	13.4
123.11702	4.5
125.09586	4.5
127.03914	9.5
128.06215	9.0
129.05481	5.3
129.06981	26.7
131.04875	2.8
131.08545	42.5
133.06467	15.6
133.10114	43.6
135.08058	15.6
135.11665	23.5
136.06165	30.9
136.07251	2.6
136.07600	2.5
137.05981	5.6
137.09566	12.9
139.03969	2.7
139.07503	3.9
139.11081	3.0
141.06963	10.7
142.07788	8.4
143.08525	22.8
145.06433	7.8
145.10101	32.8
147.08020	11.5
147.11667	29.8
149.09605	17.4
149.13251	9.8
151.07536	7.2
151.11205	4.1
154.07759	3.4
155.08543	12.0
157.06474	3.2
157.10121	23.9
159.08012	12.2
159.11674	32.0
161.09612	8.1
161.13242	12.2
163.07568	5.4
163.11168	9.7
163.14848	3.9
165.09186	3.5
167.08575	6.1
169.10127	15.3
169.76462	2.3
171.08095	6.8
171.11676	23.3
173.09612	10.9
173.13242	19.5
175.07597	2.8
175.11130	13.9
177.09119	5.1
177.12738	4.3
179.08546	2.3
179.10620	5.6
181.08594	2.9
181.10107	7.4
183.08205	2.8
183.11668	20.5
185.09665	7.0
185.13243	11.8
187.07635	3.0
187.11185	11.4
187.14793	5.3
189.12749	11.0
191.10570	4.8
193.12175	2.8
195.10109	3.3
195.11755	8.3
197.13208	7.2
199.11295	3.6
199.14754	3.2
201.12718	8.4
203.10556	3.5
203.14293	3.2
205.12308	4.8
209.13242	5.0
211.14825	5.2
213.12732	9.4
213.16377	9.0
215.14415	4.3
215.17955	9.8
219.13719	4.8
225.12875	4.0
225.16472	5.7
227.14201	4.1
227.17906	7.3
229.12134	5.2
231.14017	3.6
231.17438	6.0
233.19080	3.5
237.12817	2.9
239.17868	4.7
243.13951	4.0
243.17549	6.7
245.19014	8.5
247.16833	2.8
249.18506	4.3
249.98366	2.7
251.17862	2.6
253.15866	3.7
255.17314	3.3
257.18961	5.5
259.17261	2.7
259.20502	3.6
261.14969	3.9
261.18466	6.5
263.20084	4.3
269.19049	4.8
271.20721	2.9
273.18478	5.8
275.12885	3.5
275.20114	8.4
281.18890	3.9
285.18521	4.1
287.20035	12.4
289.21799	2.7
290.28400	6.8
291.19611	5.4
291.28802	23.7
299.20096	8.3
303.19714	5.2
313.21689	9.5
317.21121	10.1
323.19949	13.5
331.22708	3.6
341.21072	40.8
342.21466	5.2
359.22141	55.8
360.22470	5.6
360.27350	3.3
377.23254	100.0
377.27441	3.9
377.28436	4.1
377.32410	65.0
378.23819	4.7
378.28842	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	377.2315
Annotation	AT-Resolvin D1
Peak:m/z	Relative Intensity
50.06252	1.3
53.03930	4.0
55.01859	9.5
55.05262	1.6
55.05504	21.1
55.56771	1.3
57.03426	8.0
57.07060	4.4
61.02919	1.6
65.03910	3.7
67.05492	39.0
69.03422	21.0
69.07061	18.5
70.06551	2.2
71.01324	2.8
71.04980	6.8
73.02883	4.2
77.03876	1.4
79.05477	42.2
80.05785	2.1
81.03405	22.9
81.07043	54.1
82.07359	1.9
83.04971	11.0
83.08614	11.3
85.02898	7.7
85.06521	3.5
87.04453	2.1
91.05466	45.6
93.07034	50.2
95.04941	10.6
95.08039	2.3
95.08591	34.0
97.02886	9.2
97.06523	8.1
97.10141	4.2
98.21541	2.2
99.04436	5.5
99.08060	2.4
101.07478	1.8
103.05450	2.5
105.07010	50.2
106.07336	2.4
107.04933	8.2
107.08574	25.9
109.02856	5.8
109.06517	9.0
109.10138	12.3
111.04404	8.5
111.08028	4.0
113.05979	1.9
115.03905	2.3
115.05428	3.8
117.05494	1.6
117.06999	29.7
119.04996	2.1
119.08566	36.8
120.08096	2.3
121.06477	8.7
121.08435	2.0
121.10115	18.4
123.04398	2.9
123.08051	6.0
123.11681	5.5
125.05969	2.0
125.09615	3.2
127.03864	3.3
127.11066	1.3
128.06190	5.6
129.05434	3.4
129.06984	20.5
130.07806	2.5
131.05000	2.1
131.08548	34.8
133.06483	7.5
133.10103	31.8
135.08063	9.6
135.11668	12.3
137.09589	5.7
141.06987	8.6
142.07770	4.9
143.08530	19.8
144.09293	2.1
145.06439	4.9
145.10110	27.8
147.08028	9.0
147.11659	24.9
149.05971	1.5
149.09608	7.0
149.13219	6.5
151.07498	5.8
151.11145	1.4
153.07019	1.7
153.09016	1.8
155.08528	8.2
156.09328	2.1
157.06471	1.8
157.10097	19.3
159.08055	7.8
159.11665	23.8
161.05884	2.3
161.09604	9.1
161.13216	9.1
163.07542	2.4
163.11176	4.5
164.67813	1.5
165.07077	1.5
165.09148	2.2
167.08600	2.7
169.10100	11.5
170.10588	1.5
171.08026	3.2
171.11659	17.4
173.09596	6.3
173.13237	12.2
175.07455	1.8
175.11205	8.7
175.14848	3.2
177.09146	2.6
177.12694	3.7
179.08511	2.1
179.10699	2.4
181.10066	4.6
183.08028	2.9
183.11615	10.9
185.09583	4.1
185.13242	9.4
187.11159	6.9
187.14771	3.5
189.09094	1.9
189.12756	6.0
191.10664	2.5
193.10172	2.0
195.11662	4.5
197.09535	2.6
197.13214	6.5
199.11140	4.3
199.14772	5.2
200.11945	2.1
201.12730	3.8
203.10727	2.7
203.14372	2.3
205.12195	2.9
207.11780	1.7
209.09615	1.6
209.13277	2.8
211.11261	2.6
211.14778	1.6
213.12700	2.8
213.16341	7.8
215.14249	3.1
215.17911	4.2
225.12819	2.4
225.16350	5.5
227.14392	2.5
227.17918	6.0
229.12228	3.7
229.15903	2.5
231.13728	1.7
231.17383	4.6
233.19083	1.8
239.14268	2.4
239.17969	2.9
243.13820	3.5
243.17390	6.0
245.19035	5.1
247.17003	2.0
249.18459	4.2
251.17897	1.7
257.18948	5.3
259.17175	1.4
261.18442	7.1
262.03317	1.8
263.20236	4.1
267.17407	1.6
269.10742	1.7
269.19031	3.2
271.16840	1.6
271.20435	1.6
273.18439	7.4
275.20081	6.9
281.18939	2.3
285.18613	2.8
287.20123	11.3
287.25455	2.9
291.19589	4.5
295.20593	3.0
297.18329	1.8
299.19955	5.7
303.19492	5.5
313.21542	5.6
315.19678	1.6
317.21008	7.7
323.20151	8.2
329.21310	2.1
331.22690	3.9
332.10013	2.0
333.26187	10.7
341.21014	32.7
342.21561	2.5
359.22089	48.4
360.22437	3.0
377.23175	100.0
378.23526	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	377.145
Annotation	Tuliposide D
Peak:m/z	Relative Intensity
53.03919	1.7
53.17062	0.6
56.04247	0.5
57.03148	0.5
57.03425	7.9
57.36651	0.6
58.30573	0.4
58.79935	0.5
59.04952	0.5
59.36003	0.5
61.02910	3.3
61.49684	0.4
69.03417	12.5
69.34379	5.8
69.68645	0.5
70.06518	0.4
71.01330	2.0
71.04977	3.8
71.93582	0.5
72.08137	0.5
73.02890	1.8
74.78939	0.5
75.04449	2.1
81.03404	3.6
84.20489	0.5
88.15076	0.5
94.01464	0.5
99.04434	4.6
117.05416	0.6
130.63348	0.5
142.46976	0.5
145.07544	1.6
170.07150	0.8
172.08669	24.6
173.09073	0.6
174.10210	1.0
190.09683	1.3
198.06564	5.4
200.08165	4.2
216.07658	16.0
218.09189	0.7
243.08740	67.0
244.06886	0.7
244.09151	2.4
359.13522	2.7
377.14493	100.0
378.14783	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	377.1801
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	6.0
55.01855	2.0
55.05259	0.7
55.05504	7.8
57.03412	3.1
57.07067	5.3
59.04991	1.8
61.02908	1.1
64.39304	0.7
67.05517	3.2
69.03420	33.7
69.07057	20.9
69.10246	0.6
70.06586	4.6
70.80419	1.3
70.80785	1.5
71.04988	7.9
71.08621	5.9
72.08131	2.0
73.02882	1.1
73.06553	4.0
79.05476	1.9
81.03408	32.2
81.07045	5.7
82.03749	0.9
83.04955	2.5
83.08591	1.6
83.27025	0.6
84.04489	0.8
84.08094	1.1
85.02893	56.9
85.06522	1.2
85.10159	1.8
86.03259	1.0
86.09687	2.8
87.00804	4.7
90.61341	0.7
91.05460	2.4
93.07033	3.5
95.04966	2.3
95.08595	5.1
97.02879	10.1
97.06516	1.2
98.91970	0.6
99.04442	26.8
99.08075	0.8
103.03927	44.2
105.01846	1.8
105.07018	2.4
107.08581	3.5
109.02864	28.3
109.06536	1.2
109.10135	4.6
111.04404	3.2
111.08068	1.1
111.11706	12.2
115.17307	0.7
119.08575	1.7
120.08089	3.6
121.10136	3.5
123.08078	1.7
123.11712	2.4
125.09560	0.7
127.03900	100.0
127.11175	9.7
128.04225	2.0
129.05476	1.7
129.12733	12.0
129.13623	1.2
133.10103	1.3
135.11656	1.9
137.05943	0.8
137.13254	0.9
139.11185	1.2
142.07693	1.0
145.04953	12.6
145.10104	1.4
145.12198	0.8
147.06549	1.0
147.11642	1.0
148.62837	0.7
151.11179	1.0
153.12779	0.7
157.10126	1.8
159.11713	1.2
163.06017	1.9
163.11127	1.4
169.12263	0.8
181.12234	2.7
185.09625	0.7
187.06018	7.1
203.94724	0.6
213.03906	1.2
213.09047	1.4
219.15079	0.9
231.04980	15.7
233.28624	0.8
241.09593	0.7
241.66504	0.6
249.06033	0.7
253.07080	3.3
271.08136	2.7
305.24585	1.6
341.15845	2.2
359.16699	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.0562
Annotation	Unknow
Peak:m/z	Relative Intensity
53.61673	2.2
55.01856	3.0
56.05019	2.2
56.96552	11.6
57.03426	7.2
58.99862	6.0
61.02912	3.8
69.03420	10.9
69.61773	10.6
69.62206	8.0
70.06575	17.0
70.99845	2.4
72.08150	17.6
73.02908	7.0
77.00888	6.7
81.03403	3.9
84.04489	5.7
84.08126	11.3
85.02888	29.2
86.09700	9.9
88.03985	2.5
89.00889	2.6
91.02465	5.1
97.02881	9.9
98.97578	10.0
101.00879	9.6
101.02381	5.6
107.04964	4.1
109.02864	4.0
109.03522	5.4
115.02416	3.8
115.03913	4.6
116.98596	6.2
117.03996	2.7
119.01898	28.6
127.03905	9.0
128.02336	3.8
128.98582	4.5
129.10258	2.9
131.01880	24.3
133.03514	12.1
136.06134	3.1
137.02959	5.6
143.01881	6.2
143.03412	3.2
145.03445	26.6
145.04903	7.5
146.99597	4.2
147.01375	6.9
147.05014	11.5
149.02937	23.2
151.02728	2.8
151.04453	4.9
156.99812	3.3
157.01266	2.7
158.99666	4.4
159.01364	3.3
161.01311	3.4
161.02948	15.0
163.02618	3.4
163.04466	18.2
165.00726	4.4
165.06087	24.9
167.03972	2.8
171.01407	3.1
173.01500	3.7
173.02953	15.7
175.00859	40.7
175.02490	3.6
175.04381	3.1
177.00716	7.9
177.02441	16.9
185.02898	4.8
187.04355	6.0
189.00784	4.0
189.02419	14.9
189.03969	4.1
190.98624	6.6
191.03955	31.4
193.00372	3.0
193.01982	13.2
193.03557	4.1
195.03448	3.7
198.02705	3.1
200.04399	4.5
201.02458	9.3
201.12349	3.1
203.00253	6.3
203.03973	10.5
205.00175	3.2
206.02597	5.0
207.03413	6.6
209.05049	9.9
213.02460	3.5
215.13889	4.2
217.01913	7.6
219.01588	4.6
219.03423	11.3
221.01381	6.6
221.04987	4.4
223.01204	4.5
223.04498	3.8
228.03885	5.7
229.01880	18.9
229.05481	3.5
231.03532	21.1
232.99644	2.7
235.03000	3.8
245.01337	5.9
247.02969	37.6
248.03215	3.9
249.04585	25.7
257.01385	77.9
258.01630	4.6
259.02927	5.4
271.02878	5.2
271.06412	2.8
275.02463	100.0
276.02646	8.5
277.04132	6.1
279.05853	3.3
281.07230	3.3
285.01019	6.6
287.05597	3.8
289.04047	43.7
293.03418	9.7
298.03989	5.1
303.01886	4.1
307.05142	46.3
317.03528	44.5
318.03531	2.6
325.06149	5.7
327.53265	2.5
330.06754	3.8
335.04541	85.3
336.04477	2.8
347.04745	3.3
353.05701	13.7
377.05127	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	376.3202
Annotation	7,10,13,16-Docosatetraenoylethanolamine
Peak:m/z	Relative Intensity
65.30034	0.2
65.33144	0.2
66.60760	0.2
69.03395	0.2
69.81245	0.6
69.81676	0.5
75.27975	0.2
79.65516	0.2
87.04456	13.4
88.04707	0.2
98.68125	0.2
107.07321	6.9
120.08085	3.1
121.08814	0.8
122.50381	0.2
134.09610	2.5
148.11148	0.3
162.12708	0.6
176.14299	0.3
190.15858	0.7
192.17467	0.3
193.10887	0.3
204.17426	0.4
206.11739	0.3
206.18979	0.3
218.19000	0.3
234.39583	0.2
241.11139	0.2
289.27087	0.3
290.28366	52.9
291.28680	2.7
307.74918	0.2
314.28387	0.4
328.26199	0.3
346.27356	0.6
376.32047	100.0
377.29010	0.3
377.32388	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	376.3571
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02360	0.1
51.66440	0.1
51.76161	0.1
53.03928	0.2
55.01855	0.2
55.05497	0.6
57.07053	0.5
58.38300	0.1
66.80286	0.1
67.05489	1.3
69.03423	0.1
69.07056	0.9
69.31078	1.5
71.04971	0.2
71.08617	0.9
79.05485	1.3
80.06263	0.2
81.03384	0.3
81.07042	2.7
82.07376	0.2
83.04946	0.3
85.02927	0.1
86.09680	0.2
87.04450	0.5
88.11250	2.5
91.05470	1.9
91.33273	0.1
93.07027	2.6
94.06561	0.1
95.04949	2.2
95.08596	1.8
97.06507	0.4
97.10107	0.2
105.07012	4.0
106.07254	0.2
107.04934	3.0
107.07323	3.9
107.08555	1.9
108.05240	1.0
109.06522	0.8
109.10143	0.9
115.05419	0.2
117.06992	1.0
118.77944	0.1
119.08565	3.6
120.08095	3.2
120.08904	0.2
120.09391	0.3
121.06455	0.7
121.08878	0.6
121.10124	1.6
122.07237	0.2
122.09608	0.1
122.10950	0.2
123.08017	0.3
123.11686	0.6
128.06206	0.3
129.07001	0.8
130.07768	0.4
131.08548	2.0
132.09343	0.3
133.06459	0.2
133.10118	1.8
134.09610	1.7
134.10539	0.2
135.08012	0.2
135.11697	0.6
136.00114	0.2
141.06975	0.3
142.07793	0.7
143.08549	1.7
144.09344	1.0
145.06444	0.2
145.10098	2.9
146.10635	0.3
147.08025	0.3
147.11679	0.8
147.12724	0.1
148.11195	0.5
148.12277	0.1
151.09908	4.9
152.63411	0.1
155.08508	0.6
156.09311	0.5
156.13776	0.3
157.10112	2.0
158.10770	0.6
159.08034	0.4
159.11667	1.6
160.12173	0.2
161.09538	0.3
161.13240	0.5
162.12775	0.4
164.10707	2.5
165.11421	0.6
165.12753	1.9
167.08582	0.3
168.09250	0.2
169.10066	0.8
170.10786	0.4
171.11649	1.1
173.09514	0.2
173.13176	0.8
174.14055	0.2
175.11156	0.2
175.14772	0.4
176.14241	0.2
178.12239	3.2
179.08438	0.2
181.10143	0.5
182.10809	0.2
183.11725	0.8
185.13156	0.8
187.11108	0.2
187.14807	0.4
190.15860	0.2
191.14311	0.2
192.13789	0.3
193.10120	0.2
194.10846	0.3
195.11664	0.7
196.12328	0.2
197.13246	0.9
198.13803	0.2
199.14775	0.2
201.12804	0.2
204.17430	0.3
206.15413	0.7
206.19067	0.3
207.11604	0.3
208.12604	0.2
209.13237	0.6
210.13840	0.2
211.14806	0.5
213.16225	0.2
218.19048	0.3
220.16911	0.5
220.20554	0.3
221.13214	0.3
222.14055	0.1
223.14796	0.4
224.20114	0.2
225.16432	0.4
232.20601	0.3
234.18465	0.6
235.14761	0.3
237.16389	0.2
239.17879	0.2
241.15877	0.2
246.22122	0.2
248.20000	0.3
251.17964	0.2
253.19443	0.3
254.20454	0.2
255.03244	0.2
255.17487	0.2
262.21548	0.7
263.17844	0.2
265.19412	0.2
266.20203	0.2
267.20984	0.3
268.21817	0.2
271.20648	0.3
276.23251	0.3
278.24756	0.6
280.21686	0.2
282.30225	0.1
290.25082	0.2
290.28290	1.3
293.22763	0.2
296.21222	0.2
332.33051	14.3
333.33441	0.7
358.30978	0.2
358.34637	0.7
361.25543	0.1
376.35696	100.0
377.28040	0.3
377.32394	0.4
377.36047	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	376.1754
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	34.2
56.12242	4.7
57.07063	10.8
69.03396	3.8
71.05894	13.1
71.07808	3.9
83.04968	100.0
86.06054	4.8
87.04459	5.3
93.06978	4.9
123.91472	4.9
175.07495	6.9
185.06029	5.8
188.04625	26.3
203.06996	65.9
231.06487	65.7
245.87741	4.7
247.22528	6.1
302.18683	5.7
314.23251	15.3
314.30444	6.1
331.11661	10.0
358.29526	7.2
376.25894	41.0
376.33954	10.1
377.70325	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	376.1958
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	4.0
54.97203	1.1
55.01854	3.4
55.05496	7.3
57.03430	1.6
57.07038	1.5
60.04515	73.6
61.02903	1.8
62.47743	1.1
65.03938	1.5
67.05495	8.8
69.03409	6.1
69.07051	10.3
69.36689	1.2
70.02956	2.1
70.03736	1.6
70.06575	6.3
71.04992	6.4
72.08138	1.4
76.80282	1.0
79.05479	11.2
81.03385	7.1
81.07038	27.0
82.03735	1.9
83.04961	15.5
83.08614	4.3
84.04487	3.7
84.08118	2.7
85.02879	10.7
85.06527	3.9
86.03217	3.1
86.09687	11.4
87.00829	1.7
88.03977	30.9
91.05467	13.0
93.07027	35.8
93.07618	1.8
94.07339	1.6
95.04961	12.1
95.08591	18.0
97.02868	2.5
97.06512	19.3
99.03827	1.4
99.04436	17.1
99.08107	1.5
100.04753	3.9
103.05460	1.2
105.01870	1.4
105.06299	1.1
105.07011	27.2
106.05012	100.0
107.04936	2.7
107.08575	23.0
109.02854	9.1
109.06503	12.6
109.10142	7.0
110.03187	4.6
111.08070	19.3
113.05979	1.8
116.07053	4.9
117.07008	1.5
117.19157	1.1
119.08564	14.8
120.08108	6.8
121.06490	24.6
121.10115	3.5
123.04421	11.5
123.08030	3.9
123.11654	7.2
125.05975	13.5
127.03894	22.8
127.07513	4.8
128.04231	12.2
129.01842	1.5
129.06992	2.0
129.10197	1.3
130.04961	10.3
131.08539	3.7
133.06464	1.7
133.10117	21.6
135.08043	9.9
137.05960	4.4
137.09706	1.4
139.07520	13.6
142.07765	1.7
143.07010	7.5
143.08546	3.5
145.04948	2.4
145.10091	5.2
146.05273	1.7
147.08025	3.1
147.11662	29.8
149.09599	1.6
149.13225	3.5
151.03856	1.8
151.11148	5.4
153.09062	1.5
156.09270	1.5
157.08594	3.8
157.10094	7.4
159.06461	4.0
161.09555	3.5
161.13239	4.3
163.14755	2.2
164.19327	1.1
165.05466	4.7
165.12718	10.9
169.12215	14.5
170.08159	1.3
171.11642	6.9
173.09573	1.5
173.13248	1.9
175.11154	26.4
181.10089	1.5
184.09697	1.8
188.09148	2.0
189.12703	14.8
191.14288	2.3
193.12225	21.2
197.08026	2.6
199.11115	8.9
202.10712	3.1
207.13817	5.6
211.13284	17.2
217.12196	28.2
226.10757	1.6
229.14252	7.9
233.16290	2.8
235.13248	19.0
253.14322	17.4
258.15039	1.4
276.15845	7.7
280.15027	1.3
294.16977	18.4
296.18552	5.1
298.16367	4.9
304.15375	4.1
312.18048	10.7
314.19489	2.4
316.17419	2.6
322.16455	16.1
340.17508	41.1
341.17688	2.1
358.18524	36.1
376.19458	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.1598
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.1
53.77642	0.5
55.01847	1.2
56.05016	0.7
57.03413	1.5
60.04512	0.6
61.02917	3.3
61.16562	0.6
67.05475	0.7
69.03418	6.9
70.06588	5.3
70.32056	1.7
70.32456	1.2
71.04967	1.3
72.08147	2.0
73.02897	1.5
74.06044	0.8
81.03400	2.6
84.04485	1.9
84.08138	3.3
85.02893	27.7
86.09680	3.2
87.04445	0.8
91.03934	2.4
91.05473	1.5
93.07062	1.0
94.91429	0.6
97.02877	7.2
98.06019	0.7
99.04484	1.2
102.05579	0.7
105.07036	3.7
106.64262	0.6
109.02850	1.4
110.07169	1.1
113.52533	0.5
116.07080	1.1
119.04951	1.0
120.08100	1.8
122.03641	1.2
124.02138	1.7
127.03915	6.0
129.10223	1.1
132.10143	0.6
133.06462	2.1
136.07532	0.8
137.05959	100.0
138.06322	2.0
140.07333	0.6
145.04945	7.7
147.04382	1.2
147.07623	0.6
148.02121	1.1
150.03709	1.8
151.07547	2.2
163.05949	0.9
163.23195	0.6
176.11176	0.6
177.05489	0.8
179.03433	1.7
179.07018	45.2
179.10449	1.1
180.08641	3.5
197.08063	11.7
204.89865	0.6
214.05305	2.8
214.10696	1.1
244.07491	0.6
249.13370	0.6
250.14206	0.6
256.06326	1.1
292.06381	1.4
376.13727	0.7
377.08713	0.8
377.17801	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.1596
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.5
53.40019	0.6
54.37812	0.5
55.01859	0.9
57.03421	1.6
60.04514	0.8
61.02906	1.2
65.68619	0.6
67.05506	1.0
69.03424	1.9
69.07041	0.5
70.06587	3.1
71.46626	0.9
72.08140	1.4
74.06059	1.7
77.03930	0.7
79.05475	2.1
81.03405	1.7
81.07040	1.2
84.04481	0.8
84.08130	1.5
85.02892	6.6
85.06483	0.5
86.09686	6.6
87.00815	1.3
88.03980	1.8
88.55138	0.6
91.05467	5.0
92.05795	1.4
93.07036	0.7
95.04939	2.6
97.02897	2.2
99.04438	1.2
105.01881	2.0
105.03374	100.0
106.03711	2.2
107.08578	0.8
109.02847	1.2
116.07055	2.7
120.08051	4.5
123.04395	3.9
127.03896	2.8
128.04228	1.0
129.04381	0.7
129.10194	0.7
136.70480	0.6
137.06084	0.7
145.04926	1.5
147.68803	0.5
179.07007	30.8
182.48318	0.5
191.08142	0.7
197.08061	35.0
198.08385	1.3
199.17998	0.8
214.14334	2.6
226.65753	0.7
233.16441	1.9
248.40924	0.5
261.16043	0.8
376.12787	0.7
376.19467	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2674
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	4.9
55.05475	9.2
57.07052	2.7
62.88069	1.8
65.03919	3.3
65.20879	1.8
67.05493	17.3
69.07027	8.8
69.92549	12.9
79.05477	20.1
81.06653	2.5
81.07039	29.1
83.04927	2.6
83.08573	2.6
85.06538	2.6
91.04954	3.3
91.05460	36.8
93.06480	3.4
93.07027	58.6
95.04947	29.8
95.08587	27.4
97.06484	7.5
105.07011	63.7
107.08582	30.5
109.06459	7.9
109.10135	14.1
115.05453	4.8
117.06965	11.4
118.38392	2.4
119.08567	60.1
121.06506	12.1
121.10117	47.3
123.08017	4.5
123.11613	3.6
128.06171	6.7
129.06941	7.9
130.07735	4.8
131.08549	31.9
133.08569	2.6
133.10123	31.2
135.08023	2.7
135.11662	10.9
141.06912	3.7
142.07756	12.0
143.08537	19.3
144.09273	4.4
145.09045	2.4
145.10101	34.9
146.09575	2.9
147.11639	14.0
154.07701	3.1
155.08510	6.3
156.09290	5.0
157.10100	28.3
158.10831	3.3
159.07970	3.1
159.11649	19.2
161.09550	7.9
161.13219	4.5
162.09090	2.6
165.06943	2.2
167.08553	2.6
168.09233	3.0
169.10011	9.3
171.11600	9.7
173.13231	10.9
175.11104	4.9
175.14719	6.5
176.10545	2.7
177.11113	2.9
177.16368	3.2
181.09949	4.1
183.11569	9.5
185.13216	5.7
187.11160	5.0
187.14719	7.6
189.12787	2.2
190.12193	4.9
191.12509	3.3
193.10036	3.9
194.10927	2.8
195.11612	6.2
197.13219	10.5
199.14676	5.0
201.16284	3.3
205.10068	3.5
207.11618	5.0
209.13182	3.7
211.14795	4.1
213.16347	2.4
221.13179	3.9
223.14781	4.2
253.15727	2.8
331.31732	7.6
375.27158	18.2
375.34253	100.0
376.35373	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	375.0919
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.7
55.01855	0.7
55.05507	0.2
57.03411	0.7
61.02914	0.3
69.03423	2.2
70.06585	1.3
71.04989	0.5
71.61785	0.5
72.08139	2.1
73.02896	0.9
74.06060	0.3
81.03403	2.6
84.04462	0.3
84.08130	1.9
85.02895	4.4
86.09692	3.3
87.00806	1.7
87.10035	0.5
89.03888	0.3
91.03937	0.2
91.05392	0.3
97.02879	1.5
99.04435	1.0
102.05517	0.3
105.01843	0.9
107.08588	0.2
109.02858	2.9
117.01833	0.4
118.08582	0.2
120.08110	0.4
121.10174	0.2
127.03899	100.0
128.04224	1.1
129.10233	1.2
130.84203	0.2
145.02769	0.4
145.04939	0.9
146.03156	0.3
157.09677	0.2
159.02863	1.4
163.03900	0.9
165.09140	0.3
177.05469	0.5
178.05779	0.6
195.06583	0.5
196.06801	0.3
200.18359	0.3
209.09032	0.2
213.11281	1.2
227.17438	0.3
228.17937	0.3
231.05035	0.5
244.12939	0.3
261.14343	0.3
375.09427	0.4
375.22943	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2375
Annotation	Linarionoside A
Peak:m/z	Relative Intensity
50.73397	1.1
53.03936	4.8
55.01861	5.8
55.05252	2.0
55.05501	19.8
57.03421	7.7
57.07054	4.2
59.04998	3.0
61.02921	8.3
67.05498	14.0
69.03423	32.7
69.07058	41.8
69.80597	7.4
70.06585	9.4
71.04988	8.8
71.08623	1.3
72.08111	1.5
73.02894	5.5
76.03999	1.5
79.05489	8.2
81.03411	14.0
81.07047	33.7
83.04958	8.7
83.08604	9.3
84.08113	6.8
85.02895	77.9
85.06528	23.8
85.10168	1.3
86.09698	4.1
87.04464	6.9
91.03941	4.6
91.05466	4.9
93.07024	17.2
95.04955	2.5
95.08592	38.0
97.02269	2.0
97.02884	25.3
97.06505	6.0
97.10166	9.9
98.21424	1.9
99.04443	5.8
99.08086	27.3
101.02388	1.3
105.07011	4.0
107.04900	1.7
107.08586	28.6
109.02870	11.1
109.06493	2.4
109.10140	20.8
109.51994	1.2
111.08067	4.8
111.11692	5.8
113.09646	8.7
115.03932	1.8
119.08549	2.5
120.08094	3.5
121.10126	34.3
122.06040	2.0
123.11687	11.4
125.09631	7.3
125.13248	2.4
127.03900	20.7
127.11123	2.3
133.10097	3.0
135.11671	21.0
137.05931	1.4
137.08409	1.7
137.13239	23.6
139.11159	8.8
145.04932	15.2
145.10112	1.5
147.04391	3.5
149.13245	13.2
151.07523	1.6
151.14818	4.5
153.12720	12.2
157.10037	1.3
160.94611	1.3
161.05963	2.6
162.05396	1.4
177.12900	2.8
177.16365	100.0
178.16708	3.5
179.06998	4.4
190.92294	1.3
195.13797	12.9
195.17419	46.7
196.17752	1.5
211.07494	1.4
213.18469	67.7
214.18869	2.4
223.16765	1.4
238.31743	1.3
299.13885	3.6
315.09811	1.5
343.12805	3.5
375.11163	1.7
375.18890	2.0
375.23755	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	375.0915
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	7.0
55.01866	0.9
55.05502	0.5
57.03437	1.6
60.04510	0.7
61.02921	3.7
67.05496	0.7
68.99785	5.3
69.03422	12.3
69.07053	0.8
70.06577	1.4
71.01317	0.4
71.04985	6.3
71.43164	0.3
71.61819	0.4
71.62213	0.4
72.08137	0.9
73.69286	0.3
79.05479	0.8
81.03410	21.6
81.07053	1.2
82.03741	0.4
83.01337	0.6
83.04985	0.5
84.04498	0.7
84.08133	1.1
85.02895	38.6
86.03201	0.8
86.09699	4.6
87.00821	6.0
87.04443	0.3
87.10030	1.5
91.05468	2.3
91.47527	0.3
92.05782	0.4
93.07030	1.1
94.86868	0.3
95.04957	1.3
95.08607	0.9
96.75456	0.3
97.02884	7.7
97.06512	0.6
98.03274	0.3
99.04445	48.8
100.04768	0.8
101.02387	0.4
103.03950	1.5
103.05438	0.3
105.01851	2.3
105.07014	1.1
106.05019	0.6
107.04940	0.6
107.08605	0.5
109.02870	42.1
109.06513	1.4
109.10159	0.5
110.03209	0.6
115.05489	0.4
117.05521	0.4
119.08584	0.4
120.08102	0.7
121.06505	0.9
121.10133	0.5
123.04419	0.8
123.11729	0.4
125.06040	0.6
127.03903	100.0
128.04236	1.8
129.01813	5.1
132.10205	0.6
137.05968	1.5
137.09636	0.3
145.04947	7.1
145.06207	0.4
145.06476	0.3
145.10179	0.4
147.02867	3.0
147.11658	0.4
151.03937	2.4
151.07509	0.5
151.11070	0.3
153.01808	0.6
159.02878	0.6
161.05997	0.8
165.05460	1.0
166.06044	0.3
167.07144	0.4
169.05003	0.5
189.03964	0.4
189.05493	1.2
191.07014	0.4
193.04915	0.9
195.02809	0.4
203.07076	0.3
211.06062	0.4
213.03917	5.4
215.13963	0.6
216.14192	0.5
217.04903	1.5
217.12309	0.6
229.03091	0.3
231.04964	5.2
232.05464	0.3
235.05975	1.0
235.13307	0.4
243.13370	0.3
244.13768	0.5
253.06934	2.5
271.08121	0.5
273.05954	0.6
291.65878	0.3
301.11581	0.3
321.05887	2.3
339.06982	3.4
357.08066	1.2
375.08911	2.3
375.16223	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.341
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07060	0.2
69.80047	0.8
70.06536	0.2
88.07614	0.4
95.23951	0.1
102.09139	0.2
107.07333	0.2
111.68867	0.2
118.06518	3.6
120.08059	0.3
132.08052	1.8
133.08824	0.4
136.06166	0.6
146.09607	3.8
151.09848	0.3
160.11171	0.6
162.09108	6.5
163.09738	0.3
173.06467	0.1
174.09117	0.2
174.12752	0.3
176.07201	0.2
176.10675	3.4
177.11411	0.8
188.14262	0.5
190.08617	0.3
190.12221	7.8
202.15829	0.4
204.13773	1.3
216.17363	0.2
218.15352	0.4
218.18988	0.2
230.18997	0.4
232.16927	0.5
232.20543	0.2
244.20551	0.3
246.18456	0.6
258.21921	0.3
260.20013	0.7
260.23654	0.3
269.85770	0.2
274.21671	0.7
288.23151	0.4
288.26691	0.3
312.32535	0.6
330.31479	7.5
331.31699	0.4
356.33099	0.3
374.34085	100.0
375.34433	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	374.3411
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00005	0.2
57.07056	0.5
69.07062	0.2
70.06583	0.9
70.22807	0.5
70.23213	0.3
71.08616	0.3
71.29568	0.2
75.94682	0.2
79.05481	0.2
87.04459	1.6
88.07613	0.9
91.05468	0.2
102.09177	0.5
107.07320	0.3
107.08570	0.2
118.06528	4.1
119.07334	0.2
120.08096	0.5
121.10178	0.2
129.06984	0.3
130.06506	0.3
131.07376	0.2
132.08080	2.3
133.08820	0.7
134.09624	0.2
136.06187	0.3
144.08063	0.5
146.09633	5.0
151.09885	0.4
158.09665	0.2
160.11215	1.0
162.09114	5.5
162.90094	0.2
166.97772	0.2
174.09128	0.3
174.12753	0.3
176.07053	2.8
176.10680	4.9
177.11455	1.2
177.16391	0.2
188.07045	0.2
188.10683	0.2
188.14339	0.4
190.08626	2.8
190.12241	10.1
191.09293	0.4
192.02197	0.2
192.10182	0.2
202.15857	0.4
204.10175	3.7
204.13748	1.6
204.17276	0.2
205.10574	0.2
212.90161	0.2
216.17442	0.6
218.11772	1.1
218.15364	0.6
218.18932	0.4
222.13795	0.2
223.68108	0.2
230.19043	0.5
232.13281	0.3
232.16930	1.0
232.20570	0.3
236.13071	0.2
244.20520	0.5
246.14844	0.3
246.18518	0.7
260.16370	0.3
260.20142	1.0
260.23660	0.5
272.42633	0.2
274.18076	0.4
274.21658	0.6
276.19513	0.2
276.23108	0.2
281.04623	0.2
288.23331	0.4
288.26779	3.6
289.27023	0.4
299.05612	0.3
302.24728	0.3
312.32559	1.7
328.29688	0.2
330.31509	8.8
331.31866	0.5
361.27972	0.2
374.30270	29.5
374.34155	100.0
375.30588	2.9
375.34482	6.7
383.91254	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.3048
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57206	0.2
55.45758	0.3
69.73712	1.5
79.11311	0.2
87.04458	14.7
98.20685	0.3
107.07308	0.4
118.06532	7.8
120.08089	0.3
132.08075	3.5
133.08896	1.2
146.08476	0.6
146.09625	7.7
147.10135	0.3
153.57768	0.2
160.11192	1.3
174.12796	0.5
175.49808	0.2
177.05800	0.2
182.91206	0.2
184.65909	0.2
188.14355	0.7
190.15884	0.7
202.15916	0.7
204.10193	0.9
204.17403	0.4
216.17447	0.8
217.73621	0.2
218.11716	0.4
218.19060	0.8
230.18987	0.4
232.13367	0.8
240.72424	0.2
256.66010	0.3
288.26822	48.9
289.27158	3.0
374.30490	100.0
375.30832	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	374.3045
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05477	0.3
57.07041	0.4
66.94958	0.2
69.06998	0.3
70.06544	0.6
81.76904	0.3
86.64745	0.2
87.04452	15.2
88.07572	0.8
115.86659	0.3
118.06519	7.3
132.08064	4.7
132.10143	1.0
133.08870	1.6
134.09579	0.5
143.07021	0.3
146.09618	5.2
147.10181	0.3
150.11194	1.1
160.11154	1.3
162.12759	0.4
174.12686	0.3
188.14328	0.4
200.20134	2.2
204.10207	0.4
216.17461	0.4
218.11801	0.4
228.60226	0.3
230.13689	0.3
232.13240	0.4
288.26794	50.6
289.27197	2.0
323.03613	0.3
333.58005	0.3
366.22668	0.3
374.30478	100.0
374.35727	5.3
375.30807	4.3
378.43536	0.3
388.70938	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1803
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	0.7
54.34897	0.2
55.01854	0.8
55.05489	0.4
56.05017	0.5
56.69246	0.3
57.03423	1.3
57.03661	0.2
61.02916	1.6
65.03922	0.6
66.32483	0.2
67.05496	1.7
68.99792	0.4
69.03070	0.4
69.03420	5.8
69.07053	1.6
69.67106	1.6
70.06583	3.6
71.04979	1.2
72.08136	1.1
73.02892	0.6
74.27288	0.2
79.05473	0.8
81.02960	0.3
81.03401	3.4
81.07059	1.1
82.06578	0.2
83.06088	0.8
84.04498	2.3
84.08123	1.8
85.02892	13.8
85.04829	0.2
85.06530	0.3
86.03193	0.3
86.06045	1.1
86.09691	7.2
87.00830	1.5
87.04443	0.5
87.10021	0.8
91.03945	0.6
91.05466	11.2
92.05801	0.5
93.07012	0.6
94.04190	0.3
95.05000	0.4
95.08575	0.4
96.08107	0.3
97.02877	6.7
97.06539	0.3
98.21396	0.4
99.04435	4.9
101.07086	0.3
102.05521	0.7
103.05453	0.5
105.01859	1.9
105.07009	1.0
107.04918	0.9
107.08580	0.2
109.02859	4.3
109.06498	0.2
109.10131	1.0
111.04393	0.3
115.03915	0.3
115.05457	0.2
116.07056	0.5
116.10731	1.7
119.04903	1.4
120.05225	0.3
120.08079	0.9
121.10141	0.2
122.03594	1.7
123.04403	0.3
125.09549	0.3
126.09118	0.4
127.03894	12.5
129.01796	0.4
129.06622	0.7
129.10229	1.1
130.04990	0.3
132.10181	2.1
133.06487	0.6
133.10530	0.4
133.11688	0.2
135.08029	1.0
136.07555	0.4
137.05954	100.0
138.06293	3.7
139.07571	0.3
141.05396	0.2
142.08675	0.3
145.03073	0.3
145.04936	5.7
147.04405	2.4
151.07397	0.3
158.03619	0.3
161.05960	1.2
163.05815	0.3
173.05910	0.4
174.06369	0.7
177.05440	0.7
177.09158	0.4
179.07019	3.6
180.08611	1.0
195.06464	0.6
195.10132	7.2
196.10486	0.4
196.14427	0.5
197.12778	0.7
197.14703	0.6
198.13199	0.5
199.18057	0.4
201.05463	2.1
202.05797	3.3
206.06859	0.3
212.12827	0.8
212.16415	1.0
213.03877	0.6
215.13826	0.8
220.06810	0.5
230.17499	3.6
231.04951	2.8
234.06364	0.3
243.08723	0.5
243.13438	0.4
249.06004	1.6
265.08401	0.3
266.08893	0.4
293.07516	0.3
293.17114	0.2
294.08362	0.4
307.09729	0.3
308.09976	0.5
315.09402	0.3
326.10986	1.9
338.11130	0.3
339.07047	0.2
356.12024	0.5
356.23694	0.5
357.12186	0.3
361.30099	0.2
374.13812	0.2
374.18961	0.5
375.12958	0.4
375.19559	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1441
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.1
53.56715	0.6
55.01857	2.0
55.05490	1.2
56.05014	0.9
57.03419	2.8
59.04967	1.1
59.54031	0.7
61.02911	2.4
65.03926	2.3
67.05511	3.9
69.03421	22.1
69.07056	5.2
70.06583	6.0
71.04985	5.1
71.62646	1.1
72.08128	1.7
73.02916	1.0
75.36761	0.7
79.05491	2.2
81.03408	13.3
81.07046	1.9
81.90163	0.7
83.01324	1.7
84.04479	4.6
84.08133	3.0
85.02894	31.5
86.06047	4.2
86.09200	1.5
86.09694	19.6
87.00815	13.8
87.04450	2.2
87.10017	1.8
91.05468	100.0
92.05799	1.1
93.07029	1.1
95.08611	0.9
96.08088	1.2
97.02878	36.7
97.06536	0.8
98.05994	0.8
98.09724	0.6
99.04438	13.2
101.02380	0.9
102.05547	1.9
105.01854	12.9
105.07024	1.4
107.04969	0.9
107.08592	0.8
109.02868	7.2
109.10169	2.1
115.03930	1.6
115.05482	0.9
116.10719	8.0
119.04919	2.1
120.08128	1.2
122.03657	1.4
127.03897	41.8
129.06573	1.2
129.10228	1.5
132.10191	5.7
137.05959	84.1
138.06299	1.9
142.08612	1.9
143.03372	1.3
145.04939	27.4
147.04369	3.4
161.05986	1.9
161.15381	0.8
171.02824	1.4
177.05617	0.7
177.09157	0.9
179.07054	3.3
180.08682	1.1
188.09142	0.8
195.10118	5.0
197.12878	2.7
197.14740	1.4
198.13354	0.9
199.18039	0.8
201.05481	1.7
202.05789	2.9
212.12779	0.8
212.16376	6.0
213.03775	1.3
215.13913	3.0
215.15791	1.0
225.12386	0.8
230.17503	14.1
231.04958	23.6
231.07191	1.2
243.08870	0.9
243.13409	1.4
249.06026	12.8
249.08469	1.0
310.24863	0.7
311.90845	0.7
315.59637	0.7
321.09802	1.1
326.11081	1.3
356.23901	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	374.1439
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60059	0.5
52.63779	0.5
53.03930	2.1
55.01864	3.8
57.03426	2.9
60.04469	0.5
61.02908	2.4
65.03926	1.9
68.99790	1.3
69.03064	1.0
69.03419	14.6
70.79974	1.9
71.01344	0.7
71.04969	2.2
73.02899	2.7
81.03403	11.3
83.04924	0.6
84.04487	1.5
85.02890	45.6
86.09678	4.6
87.00810	19.9
91.05465	100.0
92.05801	1.9
97.02876	14.4
99.04438	7.7
101.02378	0.7
103.03933	1.1
105.01848	35.0
105.06990	1.1
108.04470	1.3
109.02858	13.5
115.03883	1.1
117.01842	1.5
126.05500	1.2
127.03899	35.7
128.04236	0.6
129.01863	1.3
129.06998	1.6
132.10187	1.3
133.06485	1.4
143.03372	0.5
143.08597	0.7
145.04939	18.8
145.06416	1.9
147.02881	1.4
157.06459	1.1
159.02859	9.2
171.02827	0.9
171.08083	1.8
171.45657	0.5
175.07550	2.0
180.41254	0.6
181.06494	0.6
188.69618	0.5
189.03920	2.4
195.06445	1.4
197.12936	0.7
199.07478	2.7
212.05563	0.6
213.03975	1.9
215.13933	1.5
217.08640	1.4
225.12352	0.7
231.04967	12.0
231.07170	0.8
243.13402	0.6
248.07652	2.0
249.05934	3.7
266.08768	0.8
303.08777	0.7
306.91293	0.5
321.09796	1.9
339.10919	0.8
374.14594	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1436
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	0.6
56.05026	0.4
57.03419	1.3
61.02905	2.6
67.47837	0.3
69.03414	4.4
70.06577	2.2
70.90823	0.7
70.91194	0.7
71.04964	0.5
72.08141	3.1
73.02905	0.7
74.06046	0.6
79.05479	0.4
81.03407	1.7
83.77351	0.3
84.04485	0.5
84.08111	1.8
85.02884	17.1
86.09699	2.3
87.04446	0.4
88.04012	0.3
89.03892	3.7
91.03919	1.7
91.05436	0.6
97.02869	4.6
99.04420	1.3
109.02871	2.2
112.08684	0.4
117.03351	11.9
120.08036	0.7
127.03889	4.5
129.10187	1.4
134.03600	1.3
135.04347	1.6
136.07538	0.5
142.08609	0.4
145.02817	39.1
145.04745	4.4
146.03195	1.1
147.04323	0.9
149.05956	6.6
153.05429	1.0
162.03093	0.8
162.07616	0.4
163.03879	3.5
163.05995	0.5
177.05431	100.0
178.05721	2.9
179.03371	0.5
180.08682	2.5
186.05453	0.9
195.06488	61.9
196.06831	2.0
212.06758	0.5
212.62943	0.4
310.34375	0.4
324.06793	0.4
374.12277	0.8
385.48666	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2214
Annotation	Blumenol C glucoside
Peak:m/z	Relative Intensity
53.03921	3.6
55.05493	5.6
57.03415	4.2
66.86286	3.7
67.05492	17.3
69.03421	6.1
69.07059	16.0
70.94115	12.1
71.04980	4.5
73.78521	4.0
78.29962	4.4
79.05478	7.3
81.07042	24.8
82.11948	3.7
83.04970	9.5
83.08602	6.6
85.02885	9.0
85.06531	6.6
91.05475	5.6
93.07044	13.1
95.08585	24.8
99.08073	5.7
105.07012	7.3
107.08589	14.6
109.06470	7.3
109.10137	86.8
110.10488	4.5
119.08561	31.8
121.06487	5.1
121.10132	13.4
123.08066	15.3
123.11724	4.6
128.19817	4.5
133.10066	25.6
135.11662	77.2
137.09613	20.2
140.71339	4.4
142.52202	4.8
144.20422	4.0
147.11664	9.7
149.13249	8.5
151.11169	8.7
151.14796	16.6
157.42937	5.0
169.14801	5.0
175.11246	4.7
175.14807	33.1
193.15843	61.9
211.13321	37.8
211.16885	100.0
211.18741	8.0
228.32288	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	373.1277
Annotation	5,4'-Dihydroxy-3,7,3'-trimethoxy-6,8-dimethylflavone
Peak:m/z	Relative Intensity
53.63128	0.5
54.19734	0.5
57.30812	0.5
62.93279	0.5
63.02369	0.7
63.34728	0.6
67.05475	0.6
70.79205	0.5
71.63230	1.1
72.08133	1.0
79.05471	0.8
86.09687	0.7
89.03902	6.3
91.05455	3.5
93.07065	0.5
95.04938	0.6
95.08602	0.8
103.05439	0.9
105.07013	1.9
108.54382	0.6
115.05424	1.8
117.03362	21.1
118.03646	0.6
119.04928	3.0
119.08600	0.8
121.10074	0.5
131.04919	0.7
133.06470	1.1
134.03619	1.6
135.04366	1.5
137.05972	2.8
143.04874	1.9
144.05664	0.8
145.02821	53.3
146.03207	1.9
147.04384	14.4
148.04771	0.6
149.05956	8.8
151.03886	0.6
155.04880	1.1
158.05966	0.7
160.05075	0.7
161.05939	3.9
163.07561	0.9
172.05060	0.7
175.07550	4.9
177.05438	100.0
178.05788	3.8
179.07051	2.7
186.05479	2.6
187.07498	2.5
193.08569	1.8
219.06432	1.0
231.06432	3.4
233.35872	0.6
249.07520	1.5
348.51840	0.6
373.13037	0.7
373.24655	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1852
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18799	2.2
51.87325	2.1
53.03935	3.4
55.01858	3.4
55.05494	5.7
57.07060	7.6
61.02890	1.9
67.05212	2.1
67.05499	21.7
69.03409	5.8
69.07070	16.4
69.31710	15.9
69.32127	6.2
70.06577	7.8
71.04977	4.2
71.08654	2.0
71.56808	2.4
72.08144	4.8
79.05481	26.8
81.03403	8.5
81.07043	38.0
83.04980	4.5
83.08628	4.3
84.04501	3.9
84.08131	4.2
84.89070	2.1
85.02889	12.1
85.06531	6.7
86.09686	7.2
90.80450	2.3
91.05413	12.7
93.07035	13.2
95.04962	9.3
95.08588	16.5
95.97990	1.9
97.02857	4.2
97.06525	15.9
99.04445	3.2
99.08054	3.5
105.07022	18.2
107.04950	3.8
107.08588	9.3
109.02861	3.6
109.06514	23.6
109.10145	5.5
119.08556	13.3
121.06503	2.4
121.10107	9.9
123.04423	20.4
123.08045	7.5
123.11687	24.2
125.05962	12.0
127.03876	3.2
129.07040	3.1
131.08588	2.4
133.06482	2.5
133.10101	6.1
135.08063	3.7
135.11702	2.7
137.05891	4.9
137.09587	2.5
145.10202	2.6
147.11664	27.7
149.13307	3.7
151.07535	3.1
156.65248	2.0
159.11719	1.9
161.05798	2.3
163.03868	6.3
165.12798	10.8
167.10638	2.7
173.02373	3.9
175.11189	7.8
177.05457	3.7
193.12219	100.0
194.12531	5.0
199.03853	2.2
211.13264	59.3
211.16852	4.6
212.13673	2.8
213.05539	2.6
267.13782	5.0
308.52533	2.3
311.12717	4.4
311.16318	2.4
313.11597	5.6
327.08713	3.2
355.15143	11.5
373.13657	12.6
374.25269	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	372.3619
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	0.2
57.07064	0.2
58.12338	0.1
59.99378	0.1
65.60459	0.1
67.05479	0.4
69.03442	0.2
69.29342	0.9
69.29765	0.6
79.39587	0.1
87.04443	0.5
91.05476	0.9
94.06528	0.1
95.08587	0.2
98.20721	0.3
105.06992	0.2
107.07304	0.5
109.10144	0.3
117.05692	0.2
118.06528	5.0
119.07309	0.2
120.08064	0.3
121.08858	0.2
123.04457	0.2
124.85519	0.1
130.06514	0.3
131.07277	0.5
132.08075	8.1
133.08940	0.8
134.09583	0.3
144.08054	0.8
145.08923	0.2
146.09630	9.9
147.10443	0.7
158.09589	0.2
160.09862	0.3
160.11195	6.6
161.11676	0.2
167.88008	0.1
174.12756	1.7
188.14334	1.0
202.15929	0.9
216.17398	1.0
218.19075	0.3
226.57048	0.2
230.18932	0.7
232.20590	0.3
244.20593	1.1
246.22116	0.5
258.22141	0.8
260.23770	0.2
272.23700	0.6
274.25259	0.3
286.25259	0.4
300.27078	0.2
372.36194	100.0
373.18521	0.3
373.36530	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	373.1124
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33518	1.4
55.01868	3.5
56.90400	1.4
57.03434	5.5
57.28094	1.4
61.02909	1.7
68.99800	1.4
69.96274	1.3
70.06579	3.1
71.06094	4.3
81.03416	4.0
83.04960	1.8
84.08114	2.7
85.02892	28.5
86.09679	2.3
95.04933	2.9
97.02893	3.5
102.13390	1.5
103.03928	6.5
109.02869	4.9
121.02845	9.4
123.04414	13.6
129.10249	2.5
133.36484	1.5
137.05975	1.7
139.03874	21.0
147.04369	3.4
149.02345	2.0
151.03891	19.8
153.01820	15.8
161.05962	2.9
163.03912	15.7
165.01811	23.2
165.05469	5.4
169.04973	3.0
171.02907	2.8
175.03896	3.2
177.01825	35.3
177.05414	3.2
179.03426	3.1
181.04980	4.5
183.02896	10.6
187.04027	1.8
189.01793	3.0
189.05417	7.2
191.03380	20.0
193.04948	19.5
195.02870	65.9
203.03339	4.3
205.04938	51.2
206.05568	2.5
207.02902	3.6
211.06055	5.9
215.03391	3.4
217.04895	30.6
219.02867	54.0
220.03352	1.5
223.06009	22.1
229.04915	3.6
231.02858	23.5
231.06366	2.8
233.04453	3.9
235.05969	100.0
243.02957	2.5
245.08165	4.3
247.06017	3.5
249.03947	11.7
253.07047	46.8
254.07864	1.7
259.06027	14.3
261.03897	22.5
273.07523	1.7
277.07047	34.0
279.04974	9.7
289.07010	29.6
297.06009	9.5
301.07016	12.6
307.08191	5.0
315.06955	2.9
319.08081	25.9
337.09146	24.7
355.10114	7.1
372.51733	1.7
373.11179	19.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2787
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	5.1
55.05251	3.5
55.05500	45.5
57.03420	9.5
57.07071	12.8
59.04993	2.2
65.03944	2.9
67.05492	87.7
69.03413	4.7
69.07056	65.7
70.39444	2.3
71.04977	5.5
71.08617	34.6
71.63422	3.6
79.05486	39.5
81.07043	94.4
82.07360	2.0
83.04964	11.7
83.08609	28.8
85.06530	10.3
85.10162	4.1
88.07611	2.1
91.05443	18.4
93.07026	36.6
94.66769	1.9
95.04955	5.9
95.08593	70.9
96.08897	2.2
97.06507	11.8
97.10159	36.2
99.08070	30.2
101.06001	5.1
103.05471	4.9
105.07021	12.9
107.08572	35.9
109.06483	4.0
109.10138	49.1
111.08063	7.3
111.11700	7.6
113.09636	2.5
117.07018	5.9
119.08568	11.2
121.10107	18.0
123.08036	2.7
123.11677	13.3
125.09599	14.9
127.11143	3.7
129.05449	3.6
131.04907	21.9
131.08528	11.8
133.10117	6.9
135.08034	4.8
135.11667	24.3
137.09610	4.7
137.13213	10.9
138.65347	1.9
139.11134	2.2
144.37880	2.1
145.10098	7.9
147.06491	3.9
147.11655	22.9
149.13222	9.4
151.11101	2.3
151.14748	5.1
153.09082	2.4
153.12706	11.5
159.11667	5.3
161.13235	6.2
163.07501	7.9
163.11128	2.2
163.14775	9.7
165.12767	11.5
167.14310	2.8
173.11714	9.6
173.13216	8.2
174.11182	2.3
175.14818	2.8
177.16382	4.7
179.14297	2.1
180.90318	2.1
181.12247	2.6
181.15848	2.4
183.62929	2.0
187.14818	4.6
189.11197	10.6
191.14265	3.8
192.91495	2.2
199.20505	4.6
203.10686	1.9
209.15318	3.2
217.97665	2.1
227.12769	7.4
233.22495	4.0
243.21024	16.3
245.13829	8.3
255.19865	2.7
261.22107	34.0
268.26288	2.6
279.23157	96.2
280.23465	6.9
297.24265	2.9
310.83966	2.1
353.26797	100.0
354.27240	6.6
356.50800	2.5
371.28061	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	371.2784
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53504	2.1
53.69228	2.0
55.01856	10.6
55.05499	45.9
57.03425	12.2
57.07060	11.0
59.58314	2.0
65.03912	2.7
66.40122	2.4
67.05492	100.0
68.05817	2.5
69.03424	2.8
69.06712	3.8
69.07058	58.0
69.43708	13.1
69.44128	6.2
71.04967	7.4
71.08615	7.0
79.05477	37.9
81.07040	94.3
83.04966	6.3
83.08600	31.1
85.06512	8.9
85.10152	3.4
87.04433	2.4
91.05428	11.2
93.07028	42.9
95.04923	4.2
95.08589	72.4
97.06504	11.7
97.10147	30.2
99.08095	5.5
101.05988	5.2
105.07020	9.8
107.08573	39.7
109.06479	3.4
109.09472	1.8
109.10137	51.6
111.08025	3.9
111.11728	4.1
116.01661	2.3
117.07002	7.6
119.08546	9.4
121.10109	16.2
123.11685	18.2
125.09595	21.4
129.05515	3.3
131.08530	8.1
132.41232	2.4
133.10107	8.7
135.08015	4.4
135.11670	24.0
137.13260	11.5
145.10083	6.8
147.06509	4.8
147.11667	7.5
149.09492	3.3
149.13222	10.3
151.11186	3.5
151.14783	4.2
153.09184	2.6
153.12727	15.3
153.78471	2.4
159.11687	5.3
161.13272	5.8
163.11194	3.5
163.14827	6.4
165.12810	2.9
173.11736	5.9
173.13242	8.9
175.14803	4.4
177.12721	3.5
179.14220	2.3
187.14818	6.1
189.11163	12.8
192.14499	2.4
209.15366	3.5
210.81918	2.1
227.12721	6.6
233.22614	4.4
243.21033	13.3
245.13800	7.7
261.22095	32.4
262.22406	2.4
268.26114	2.4
279.23141	89.9
280.23404	3.8
349.07074	2.5
353.26782	84.9
354.27167	4.1
371.28030	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	371.2059
Annotation	Dearabinosyl pneumonanthoside
Peak:m/z	Relative Intensity
53.03934	1.2
55.01856	1.6
55.05504	5.5
57.03424	1.1
57.07054	2.3
67.05492	3.1
69.03418	6.7
69.07047	2.7
70.06582	3.0
70.86162	1.6
70.86504	1.9
71.04980	2.0
79.05472	5.9
81.03409	9.1
81.07041	8.2
83.04948	3.8
83.08606	2.8
85.02901	5.6
86.09692	1.4
91.05462	4.1
93.07038	9.0
95.04963	6.5
95.08597	2.8
97.02862	1.8
97.06542	2.5
97.15858	0.9
99.04434	4.2
100.11204	1.6
105.07018	10.9
107.04924	1.5
107.08575	25.4
109.02850	6.8
109.06482	5.4
109.10134	4.8
111.04422	1.8
111.08025	1.1
117.06982	1.6
119.08563	4.1
121.06476	3.8
121.10110	11.2
122.07244	2.3
123.08040	1.8
127.03876	2.1
131.08574	2.9
133.10106	100.0
134.10466	3.2
135.08028	8.1
135.11661	4.8
137.09590	67.0
138.09918	2.1
139.11197	1.9
145.10094	5.9
147.11685	3.2
149.05913	1.1
149.09544	2.4
149.13223	10.2
151.11166	2.1
153.09102	1.9
163.11125	11.5
163.14790	3.8
165.12679	1.3
173.13197	6.5
181.12129	3.2
191.10625	6.3
191.14273	48.6
192.14603	2.1
209.11697	2.2
209.15277	10.5
227.12820	2.9
266.12497	1.3
353.16064	5.7
355.06677	1.2
362.20868	1.2
370.71698	5.1
371.17194	2.5
371.21603	8.7
371.71695	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	371.2061
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.0
55.01852	1.5
55.05503	3.6
57.03433	2.6
57.07051	1.1
59.04979	0.8
61.02921	3.6
67.05484	2.8
69.03419	12.6
69.07068	2.3
69.20225	0.5
70.06575	2.7
70.74831	0.7
70.75202	0.9
71.04977	2.5
72.08134	0.6
72.93203	0.4
73.02902	1.1
79.05482	2.8
81.03410	8.9
81.07046	5.5
83.04974	4.3
83.08601	1.7
84.08128	1.1
85.02895	31.6
85.06530	0.6
86.03216	0.4
86.09677	1.3
87.04445	1.4
91.03918	1.5
91.05408	2.4
93.07037	4.1
95.04956	8.9
95.08583	4.3
97.02878	9.7
97.06480	0.5
97.10162	0.4
99.04446	4.1
99.08061	1.5
103.03940	0.6
105.07010	3.8
107.04945	1.0
107.08582	8.4
109.02870	3.1
109.06512	5.2
109.10113	2.8
111.04445	0.9
111.08060	1.1
119.08558	2.2
120.08104	3.2
121.06464	0.8
121.08421	2.0
121.10123	8.7
122.07243	0.6
123.08044	4.7
123.11674	3.0
125.02303	0.5
125.09599	1.2
127.02970	0.5
127.03880	6.3
129.05495	0.6
129.06958	0.7
131.04875	0.6
131.08542	1.6
132.05676	0.4
133.10136	1.9
135.08061	1.5
135.11627	1.4
137.05963	3.2
137.09602	5.9
137.13200	1.0
139.11073	0.6
145.04935	7.2
145.10089	1.4
147.04404	0.5
147.06490	1.0
147.11632	2.1
149.09607	7.0
149.13246	3.5
151.11163	31.2
152.11510	0.7
153.09091	2.5
156.05650	0.5
159.07973	0.5
161.09665	0.5
163.05994	0.7
163.11142	1.7
163.14822	0.5
165.12732	36.9
166.08607	0.7
166.13051	1.4
167.07028	1.9
167.14313	1.9
173.13243	1.9
175.07516	0.9
177.05499	0.5
177.10287	0.8
178.10495	0.8
181.12239	0.9
187.07568	0.6
191.10594	0.9
191.14261	6.3
192.14662	0.5
193.15877	2.6
209.15338	100.0
210.15662	5.9
217.08565	1.9
263.06897	0.5
277.08725	0.6
285.07440	0.9
300.09857	1.2
301.10825	0.4
309.11151	0.8
329.94510	0.5
353.13782	1.2
371.16623	0.6
371.20645	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2061
Annotation	Dearabinosyl pneumonanthoside
Peak:m/z	Relative Intensity
52.55493	4.6
53.03938	8.8
55.01869	6.3
55.05510	31.8
57.03400	10.1
57.07060	19.0
59.04963	7.8
61.02918	7.8
65.87251	5.1
67.05484	25.8
69.03414	45.1
69.07064	43.2
69.57623	38.4
70.06583	38.3
71.04971	17.7
71.08599	5.9
72.08144	19.1
75.45113	5.8
79.05476	34.3
81.03397	51.3
81.07048	81.0
83.04550	6.2
83.04957	38.2
83.08197	6.9
83.08614	78.0
84.04470	11.5
84.08113	21.4
85.02894	46.7
85.06516	20.7
86.09688	26.0
91.05403	11.8
91.05867	9.7
93.07028	63.2
95.04422	5.5
95.04959	35.3
95.08584	19.9
97.02864	19.5
97.06519	18.0
98.20770	10.5
99.04436	22.0
101.05988	16.5
105.07036	42.7
107.04913	6.7
107.08580	79.1
109.02874	33.7
109.06515	83.5
109.10134	48.9
111.04411	9.9
111.08070	16.1
116.10633	6.8
117.06985	9.6
119.08562	19.2
120.08128	7.3
121.06474	15.9
121.10126	62.5
123.08035	12.0
123.11703	28.6
123.78107	5.5
125.07945	5.8
125.13242	7.5
127.03909	31.5
129.05479	12.1
129.10208	9.5
130.04993	6.4
131.08521	24.3
133.10115	72.6
135.08029	36.1
135.11696	16.8
137.05922	7.6
139.07536	6.7
145.04953	11.8
145.10127	29.2
146.10431	7.0
147.04332	7.3
147.06502	6.0
147.11659	12.1
149.05952	6.8
149.09590	17.6
149.13248	50.3
150.38362	6.1
151.11171	21.5
153.09094	16.8
163.11162	45.6
163.14786	15.6
167.06946	6.7
167.14268	63.9
169.12241	9.2
171.10172	7.6
173.13193	50.4
181.12199	14.5
191.10634	46.8
191.14290	100.0
209.11713	17.5
209.15309	75.5
217.04898	7.2
227.12740	12.7
245.30878	6.3
264.07932	5.6
285.00735	7.4
353.15741	16.5
353.19714	9.6
371.11551	9.0
371.16592	32.4
371.20728	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	371.206
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	10.8
55.01851	6.0
55.05503	20.7
56.05022	2.1
57.03414	5.7
57.07059	7.6
59.04979	1.8
61.02917	2.5
67.05489	15.7
68.05013	1.8
69.03419	25.4
69.07063	17.6
69.84640	4.0
69.85050	8.7
70.06579	33.6
71.04974	14.6
71.08627	3.0
72.08123	7.7
79.05477	24.8
81.03405	84.1
81.07045	48.9
82.03715	2.9
82.07366	2.2
83.04963	14.3
83.08599	18.3
84.04488	8.1
84.08138	12.2
85.02894	23.4
85.06521	7.7
86.09693	21.5
87.04456	4.0
91.05457	13.8
91.05861	5.4
93.07030	63.4
94.07389	3.0
95.04959	25.3
95.08591	10.9
97.02891	6.1
97.06506	11.9
99.04433	29.5
99.08078	2.0
100.11236	2.3
101.06017	5.5
103.05440	2.9
105.07011	48.9
105.07664	3.5
106.07288	1.8
107.04947	8.2
107.08578	61.1
108.08938	2.4
109.02863	59.4
109.06503	30.4
109.10139	15.8
111.04446	5.3
111.08076	14.2
113.06013	2.8
115.05393	2.2
116.10691	2.0
117.07005	7.7
119.08562	19.6
120.08065	5.7
121.06480	32.5
121.10130	45.2
122.10396	2.3
123.08057	7.9
123.11709	5.2
124.07590	2.4
125.09621	2.5
125.13245	2.3
127.03877	14.7
127.07539	5.0
129.05464	2.6
129.10220	8.5
130.04999	3.2
130.07750	3.6
131.04984	1.7
131.08560	11.9
133.10092	18.3
135.08044	27.1
135.11662	22.4
136.06137	2.3
136.07524	2.5
137.05984	6.1
137.09590	3.6
139.07541	3.3
139.11176	2.9
143.08524	3.0
145.04953	7.6
145.10094	42.0
147.04399	5.9
147.06503	6.9
147.07993	4.2
147.11665	9.2
149.09590	23.6
149.13228	11.0
151.07526	3.2
151.11136	4.4
153.09119	6.9
161.09528	2.9
163.03841	2.4
163.11157	100.0
163.14795	3.2
164.11568	3.3
165.09129	1.8
167.07050	5.7
167.10645	16.0
167.14296	14.3
169.08606	8.1
169.12234	2.2
171.10123	2.9
173.09645	7.0
173.13242	9.4
175.07433	2.2
179.08578	2.0
181.12204	23.6
187.06000	2.2
187.07489	2.2
189.09103	2.4
191.06982	3.0
191.10634	77.7
191.14287	16.8
192.10951	4.6
209.11707	31.0
209.15318	23.5
214.07037	2.3
217.04889	1.9
217.08490	4.2
227.12747	35.1
230.17523	2.3
245.10138	2.3
268.97955	3.9
271.19388	1.7
285.01016	2.9
285.07684	2.3
310.50299	2.0
313.12494	2.9
339.12888	1.9
353.11664	2.3
353.16000	32.1
353.20111	4.0
354.15982	4.2
355.06958	3.9
371.16864	57.4
371.20895	4.0
372.16931	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	371.2058
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	7.8
55.01860	4.5
55.05501	12.0
57.03420	3.9
57.07047	3.4
65.21177	2.1
67.05501	17.6
69.03419	25.9
69.07055	13.0
70.06580	12.1
71.04984	16.9
71.62030	2.3
72.08123	3.1
72.86475	2.1
73.02866	3.1
79.05495	18.0
81.03400	37.7
81.07049	23.1
83.04969	14.8
83.08592	6.1
84.08129	7.4
85.02889	17.1
86.09682	7.7
87.04471	2.8
91.05415	15.2
93.06451	4.1
93.07027	53.9
94.07365	2.2
95.04956	38.8
95.08589	30.2
96.43873	2.3
97.02862	7.3
97.06511	6.4
99.04439	31.0
99.08060	8.2
100.11221	3.9
101.05984	4.4
103.05461	2.8
105.07008	66.0
106.07339	2.3
107.04916	6.2
107.08574	77.1
108.08916	2.4
109.02858	27.0
109.06509	11.9
109.10141	19.1
110.85239	2.3
111.04398	2.5
111.08048	6.5
115.05403	3.2
117.06989	8.9
117.68135	2.2
119.08545	24.9
121.06477	28.8
121.09298	4.4
121.10128	70.5
123.08023	8.8
123.11689	3.4
125.09593	17.0
127.03882	10.0
129.05457	5.3
129.06975	2.5
131.08519	9.8
133.06483	2.7
133.10112	18.6
135.08040	34.7
135.11656	18.7
137.09613	11.2
139.11185	6.6
143.08545	3.7
145.04958	7.4
145.10088	58.2
147.04431	3.0
147.06499	4.2
147.11682	18.2
149.06035	3.0
149.09583	32.5
149.13239	24.8
151.03903	2.5
151.09938	5.4
151.11154	95.4
152.11482	5.3
153.09099	12.1
158.10927	2.9
163.07579	3.4
163.11154	84.8
163.14761	15.5
164.11531	6.1
165.12738	11.5
167.07068	4.4
173.09572	6.8
173.13216	18.6
181.12219	14.6
186.94850	2.3
191.10632	93.9
191.14272	98.7
192.10977	5.2
192.14595	4.7
193.15907	2.9
209.07999	4.9
209.11789	33.7
209.15312	100.0
210.15710	4.7
227.12781	30.8
228.13049	3.1
279.13101	2.4
289.71539	3.6
331.51263	2.2
353.15930	30.3
354.16327	4.1
355.06787	3.6
371.12787	6.7
371.16751	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	371.1696
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02363	1.1
53.03937	5.8
55.01860	4.4
55.05500	9.6
56.95257	0.5
57.03422	3.3
57.07059	0.8
61.02927	0.6
61.74042	0.5
63.96651	0.5
67.05496	9.1
69.03065	0.9
69.03423	13.8
69.07052	8.0
70.06580	4.4
71.04978	11.6
71.61630	0.5
71.61980	0.9
72.08150	0.9
72.42003	0.6
79.05479	20.7
81.03406	87.5
81.07044	30.1
82.03728	1.0
82.07363	0.6
83.04966	5.2
83.08624	0.7
84.04494	1.2
84.08138	1.5
85.02899	4.7
85.06534	2.8
85.25485	0.6
86.09701	3.0
91.05432	12.0
93.07030	54.6
94.07346	1.6
95.04960	6.4
95.08588	6.5
97.02859	1.0
97.06515	8.0
99.04439	22.4
101.06006	3.4
103.05439	0.8
105.04521	0.9
105.07015	45.0
106.07330	0.9
107.04944	2.1
107.08578	50.6
108.35412	0.6
109.02863	59.9
109.06496	17.3
109.10098	2.7
111.04430	1.0
111.08069	8.4
113.06004	2.5
115.05420	0.6
116.07017	0.6
117.07005	5.6
119.08559	15.4
120.08882	0.8
121.06490	32.2
121.10123	43.2
122.06805	0.6
122.10479	0.7
123.04419	0.5
123.08060	4.7
123.11639	0.7
125.06014	0.8
127.03896	7.8
127.07523	3.5
129.05452	1.3
129.07010	0.8
130.04990	0.7
130.07745	2.9
131.04855	0.8
131.08530	5.5
133.06438	0.7
133.10132	1.6
135.08040	18.2
135.11668	20.4
137.05957	1.4
137.09595	1.6
139.07495	2.3
139.11185	2.7
143.08510	1.7
145.04929	2.8
145.10100	43.8
145.86530	0.6
146.10472	0.7
147.04372	1.3
147.06567	0.6
147.07996	1.7
147.11661	8.2
149.05980	2.9
149.09592	28.1
150.09941	1.2
151.07532	3.0
153.12727	1.2
155.08531	1.1
161.09637	0.8
163.11156	100.0
163.50896	0.6
164.11523	2.3
167.10655	17.0
167.76604	0.6
169.08591	9.3
169.09921	1.0
173.09593	8.0
175.07536	0.7
181.12206	19.3
185.11708	2.4
187.04562	0.6
187.05968	2.8
191.10645	87.3
192.10970	2.9
209.11700	32.5
209.14850	1.0
210.12038	0.8
213.07498	1.2
217.11781	0.6
227.09453	2.6
227.12744	37.4
228.13148	0.9
245.10208	3.4
268.97803	0.7
281.54361	0.6
285.01047	0.6
295.11765	0.9
311.14941	1.2
313.12720	3.3
329.15857	0.7
335.14807	3.2
353.15903	40.7
354.16241	1.2
371.16925	52.2
372.17233	3.0
385.38651	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2058
Annotation	Dearabinosyl pneumonanthoside
Peak:m/z	Relative Intensity
53.03932	2.5
55.01853	2.1
55.05507	4.5
57.03438	4.5
57.07061	1.4
58.81089	0.8
59.04987	1.0
61.02920	3.2
65.03923	1.1
67.05491	5.9
69.03428	12.2
69.07055	4.4
69.54462	2.1
69.54867	6.0
70.06582	8.1
71.04985	4.5
71.08623	0.9
72.08141	1.9
73.04733	1.1
79.05471	5.0
81.03403	12.8
81.07047	9.0
83.04975	4.7
83.08601	1.9
84.04500	2.2
84.08131	3.7
85.02895	32.1
85.06545	1.5
86.09694	6.9
87.04468	1.3
91.03951	2.3
91.05476	6.2
92.05775	0.8
93.07026	7.8
95.04963	5.6
95.08591	7.2
97.02882	12.4
97.06502	2.2
99.04450	6.1
99.04986	1.0
99.08069	0.9
100.11243	2.1
101.06024	2.4
104.07094	0.9
105.07017	11.8
107.04948	2.1
107.08575	13.6
109.02876	6.3
109.06509	8.6
109.10132	3.6
110.06055	1.3
110.07214	1.0
111.04418	1.8
111.08070	1.1
112.07624	1.1
117.07008	2.5
119.04924	0.8
119.08564	7.1
120.08105	1.8
120.08896	1.0
121.06494	4.2
121.07391	0.7
121.10116	14.6
122.02649	1.4
123.08041	5.4
123.11706	3.3
127.03900	6.4
129.05461	2.8
129.07033	2.1
129.10216	1.4
131.04927	1.5
131.08533	2.3
133.10103	8.5
134.10480	1.0
135.08064	4.9
135.11684	3.1
136.08763	0.9
137.05994	3.1
137.09596	6.6
143.08514	1.4
145.04942	9.0
145.10117	6.4
147.06496	2.2
147.11655	2.7
149.09595	8.3
149.13190	4.9
151.11159	25.0
153.09067	1.9
161.05928	1.4
161.09564	1.2
163.11160	9.4
163.14839	1.7
165.12723	35.6
167.07014	5.5
170.92125	0.9
173.09618	1.1
173.13231	3.4
175.07529	1.7
181.12173	1.7
187.07550	1.8
191.10709	9.1
191.14252	10.9
192.07681	1.5
193.15862	3.7
205.12181	1.1
209.11844	4.1
209.15331	100.0
210.15771	4.3
212.28304	0.9
217.08633	1.7
226.14243	1.2
227.12802	1.7
229.15231	1.1
237.10089	1.6
244.15349	2.4
250.09409	1.3
265.09735	1.0
268.10468	1.0
285.00735	0.9
285.07556	1.0
311.09875	1.0
313.68280	0.9
321.07852	1.2
326.11197	1.1
339.51959	0.9
341.10153	2.3
353.14981	1.1
355.07217	1.3
371.12003	4.4
371.16519	3.1
371.20602	1.8
386.60281	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1444
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.5
55.01861	2.3
56.96558	3.8
57.03425	5.3
61.02913	5.4
63.73273	1.1
64.84288	1.3
69.03424	13.0
70.06595	8.8
71.01318	2.9
71.04960	1.8
71.61779	2.3
72.08141	2.4
73.02916	3.8
73.04742	6.7
74.02430	14.4
77.03907	1.5
81.03408	5.5
83.04944	1.7
83.47234	1.3
84.04495	3.0
84.08144	7.8
85.02898	43.7
86.03189	1.3
86.09704	2.9
87.04456	2.2
88.03999	3.3
91.03965	1.9
91.05814	23.8
94.06560	81.6
95.04966	3.4
95.06917	1.6
97.02873	14.9
98.41933	1.4
98.97591	3.7
99.00802	10.7
99.04475	2.0
101.06016	2.6
103.03941	1.4
104.04993	4.6
107.04931	3.9
109.02861	6.8
110.07191	2.8
111.04423	2.4
112.99096	1.7
115.03952	1.5
115.05415	1.5
116.03387	2.2
116.98619	3.0
118.06534	24.6
119.01785	3.2
119.04912	2.1
120.04448	28.6
123.04465	1.5
124.07626	2.1
127.03925	11.9
127.08604	1.6
128.07108	2.0
128.98630	2.0
129.05492	1.6
129.10240	4.2
130.06555	3.3
131.00142	4.6
131.02119	1.2
132.04440	6.0
132.08092	5.4
135.04375	3.5
136.06210	5.8
136.07559	40.4
137.06010	4.1
144.08078	1.4
145.04979	7.3
146.05992	58.0
147.04427	4.6
147.06433	3.7
147.07591	1.6
149.01237	5.1
150.05479	23.0
156.04420	2.4
157.45872	1.4
158.05997	3.1
160.07578	6.1
161.03044	1.6
162.05472	11.9
163.03883	9.9
163.05879	11.3
163.08621	6.7
164.07053	5.3
170.05975	10.3
172.07593	1.4
172.95103	1.5
174.05481	22.7
177.00688	3.0
184.07587	5.9
186.05560	2.8
188.07066	3.9
190.05040	4.3
191.03819	2.0
191.05400	3.3
191.14273	1.6
192.06538	97.4
193.06915	4.4
196.07640	5.2
198.05487	2.5
198.09125	2.6
200.04385	6.5
202.08723	1.9
208.07683	2.4
209.06329	3.4
209.09196	100.0
210.09518	4.9
214.08333	2.2
216.06543	2.1
224.07175	2.6
226.08641	3.4
234.07614	4.6
234.99100	1.7
235.04880	2.8
236.07095	2.5
237.02811	1.8
244.09724	1.8
245.05135	1.9
250.09299	1.7
251.10188	2.6
253.06027	2.2
254.08110	1.7
262.10776	5.1
268.97800	4.4
269.01758	1.4
270.07599	9.3
272.08258	2.5
280.11713	2.8
281.07123	7.1
282.07617	3.6
285.00943	9.8
287.10052	1.8
298.12784	3.2
299.06070	1.4
300.08728	4.3
311.09988	2.5
318.09680	14.2
335.12366	5.5
336.10733	11.5
353.13446	4.8
355.06992	10.5
371.00528	1.5
371.23532	1.9
373.07779	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.0889
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62146	7.5
55.05499	12.6
67.05495	15.7
69.07056	16.6
69.82411	42.3
70.06592	9.4
71.08624	10.1
73.02887	7.3
81.07052	11.6
83.06075	8.7
83.08636	12.2
91.05788	11.0
93.15472	7.1
95.08598	15.5
97.06546	14.1
97.10130	11.3
98.20827	12.7
100.81434	8.2
101.06020	7.1
107.08630	8.7
111.04467	12.3
111.05571	39.7
129.05431	11.6
131.02818	7.2
131.08649	8.9
132.96246	6.7
147.06500	23.1
176.98573	9.3
195.05400	8.4
222.22087	18.3
259.35410	7.0
268.22736	15.0
281.25732	9.0
291.01773	26.4
309.02634	9.6
310.23877	10.4
327.26352	100.0
353.14279	17.5
353.28085	18.6
371.08701	22.5
371.15305	20.6
371.27795	6.8
389.09143	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	371.1333
Annotation	sinapaldehyde glucoside
Peak:m/z	Relative Intensity
54.00289	0.2
55.05483	0.3
56.05033	0.3
56.42684	0.2
57.07065	0.2
60.04519	0.2
61.01149	0.2
67.61944	0.2
68.99777	0.4
69.03413	0.7
69.07048	0.5
70.06583	3.3
71.08644	0.2
71.61795	0.2
72.08144	1.2
73.04736	0.3
79.05480	0.4
81.03394	0.5
81.07044	0.3
83.04958	0.4
84.04482	0.5
84.08124	1.4
85.02899	1.2
86.09695	1.6
87.00803	0.3
88.01169	0.2
88.04003	0.3
91.05845	1.5
93.07001	0.3
95.04920	0.2
97.02888	0.4
101.06012	0.2
103.05436	1.1
104.83923	0.2
105.01847	0.3
105.07004	1.0
106.06537	0.8
107.04941	2.4
107.08596	0.3
109.06516	0.2
109.10160	0.3
110.07137	0.7
111.04404	0.4
116.07075	0.5
119.04871	0.2
121.06474	0.3
123.04424	0.2
125.20927	0.2
127.03913	0.4
128.04214	0.3
129.05466	0.4
129.10231	0.8
131.04939	1.0
132.05624	0.2
133.06479	0.9
135.04402	0.5
135.08063	1.7
136.06195	0.2
139.07533	0.5
145.02870	0.4
145.04913	0.2
145.06487	0.4
147.04384	1.0
147.06468	0.6
148.05157	1.1
149.06010	1.0
151.07578	0.2
153.05449	2.0
156.07596	0.2
163.03893	2.9
163.07518	28.5
164.07880	1.1
176.04640	1.1
177.05312	0.3
181.04935	0.2
181.08580	1.4
191.07001	57.8
192.07359	2.1
194.02071	0.8
195.06488	0.6
203.03375	1.0
209.08058	100.0
210.08388	4.1
215.13896	0.5
231.02614	0.2
233.08026	0.3
251.09123	0.3
253.15797	0.2
268.97760	0.3
279.04828	0.2
285.00851	0.5
318.12604	0.2
339.07053	0.3
355.06934	0.8
371.13022	0.9
371.17215	0.3
371.23303	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.1703
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02915	1.3
64.51049	0.3
69.03437	0.4
69.07061	4.7
71.61558	0.6
71.80486	0.4
73.02904	0.6
73.61842	0.4
75.28421	0.3
85.02886	1.1
86.09691	100.0
87.10025	1.5
97.02869	0.5
101.00821	0.4
108.65376	0.4
112.99136	0.4
113.03517	0.7
115.03868	0.4
116.98599	0.6
119.01895	0.5
121.01561	0.5
127.03890	0.6
128.98596	0.5
131.01917	0.7
132.10182	73.8
133.10548	1.1
157.02548	0.8
189.03575	0.9
213.03465	0.5
225.03551	0.8
235.02780	0.6
242.03625	1.1
251.04047	0.5
303.06821	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.2694
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	2.9
56.05017	1.1
57.07063	1.3
59.04988	1.2
59.51176	0.3
61.02925	2.0
67.05492	4.1
68.05011	1.0
69.07044	1.7
69.51035	0.8
69.51447	2.2
69.58485	0.3
70.06580	0.4
71.04977	1.8
71.08607	0.4
79.05478	0.7
80.05000	1.1
81.04530	0.9
81.07041	3.5
82.05303	0.9
83.05613	0.7
83.06091	10.8
83.08599	2.3
84.08138	0.5
86.09687	0.5
93.04508	6.8
93.07032	0.6
95.06078	15.5
95.08586	4.8
97.10134	0.7
105.07018	0.5
107.06057	5.1
108.06851	0.4
109.07618	0.6
109.10143	1.3
110.07148	100.0
111.05560	1.5
111.07494	1.1
112.03967	0.4
112.08712	2.8
119.06074	0.9
120.05589	0.3
120.06820	0.4
121.07612	2.9
121.10178	0.4
122.07140	0.3
129.70750	0.3
135.09177	0.4
139.04991	0.7
156.07666	16.8
166.06143	1.0
195.99277	0.3
207.10065	0.6
247.21657	42.4
248.21938	1.6
274.22760	5.2
277.22546	0.4
287.15686	0.4
292.23788	7.8
292.26904	0.7
294.25327	0.6
303.20578	1.3
320.23322	3.3
324.26395	3.7
338.24341	14.3
339.24512	0.7
352.25861	1.4
370.26941	96.6
371.27252	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	364.2143
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	4.4
55.05501	49.8
57.07055	7.0
58.99569	7.3
67.05492	45.8
68.76859	1.8
69.03411	4.0
69.07056	53.4
70.06573	8.1
70.26311	8.7
71.04981	8.3
71.08605	3.4
72.08192	2.4
76.02206	9.6
79.05476	17.4
81.07043	59.6
82.07372	3.4
83.04969	6.5
83.08604	44.4
84.08115	5.2
85.02874	2.5
85.06515	10.8
86.99030	8.5
87.02680	4.0
87.04446	2.3
88.03961	4.4
91.05460	19.8
93.02026	2.1
93.07031	25.6
95.04949	2.9
95.08586	60.7
97.06488	12.5
97.10152	55.4
99.08076	7.2
100.11243	6.1
101.05972	3.0
105.00043	10.0
105.07013	20.1
107.04985	2.9
107.08568	31.8
109.06490	3.8
109.10130	53.3
110.07147	2.9
111.04374	2.3
111.08084	12.4
111.11695	16.2
115.07531	5.1
117.07001	2.4
119.08566	26.7
120.08100	3.1
121.10124	22.7
122.02706	16.8
123.08049	7.0
123.11687	23.6
125.09616	9.9
129.09126	6.2
131.08566	2.6
133.10112	37.6
135.11652	9.8
137.09567	11.0
137.13272	2.7
139.11154	3.1
143.10628	5.3
145.10100	4.0
147.11662	25.0
149.13213	6.8
151.11159	8.1
155.10583	3.1
161.13220	8.5
163.14807	6.0
165.12668	4.3
165.16350	11.8
165.67627	2.2
169.12199	4.3
173.82529	2.1
177.16367	3.1
189.16353	88.9
190.16716	5.8
195.17299	2.9
203.05185	2.6
207.17398	100.0
208.17802	3.9
213.18495	5.6
225.18443	75.5
226.18797	2.6
239.14493	2.3
243.19508	19.2
257.15628	14.2
283.17163	2.8
284.41992	2.4
300.19757	2.5
301.18176	7.6
329.17795	4.6
346.20395	7.8
346.27475	2.9
347.18842	35.2
364.21475	56.9
365.10410	8.0
374.52231	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.3204
Annotation	Terminaline
Peak:m/z	Relative Intensity
51.02345	0.3
53.03917	1.5
55.01837	1.1
55.05503	17.6
57.03405	0.8
57.07055	1.8
60.08153	2.3
65.03919	1.8
65.53749	0.3
67.05494	37.6
68.05811	0.6
69.07055	15.4
70.07378	0.4
70.80678	0.9
70.81031	0.7
71.04970	1.3
73.02880	1.4
79.05478	24.9
79.43147	0.3
80.05788	0.6
81.07044	31.2
81.14529	0.3
83.04947	0.9
83.08607	5.6
85.06495	0.8
86.09673	1.4
89.76310	0.3
91.05469	9.5
93.07028	25.8
94.07326	0.5
95.04936	2.3
95.08591	22.5
96.08949	0.4
97.06497	0.6
97.10149	2.1
99.04445	1.8
99.08079	0.4
101.58595	0.4
105.07017	4.9
107.08576	14.5
109.06475	1.1
109.09444	0.6
109.10137	7.2
111.08059	0.7
113.05969	0.5
117.06960	0.9
119.08566	3.7
121.09309	0.6
121.10126	9.6
123.08020	0.5
123.11695	1.9
131.08530	1.1
133.10112	2.2
135.07962	0.3
135.11664	4.1
136.06175	4.5
137.09560	0.6
143.08443	0.4
145.10057	1.1
147.11636	1.4
149.09579	0.4
149.13254	3.0
159.11662	0.9
161.13145	0.7
163.14740	0.9
168.46046	0.3
174.93907	0.3
184.38078	0.4
185.13055	0.4
305.24692	47.9
306.25107	3.4
346.25974	0.5
358.92480	0.4
364.32019	100.0
365.32401	8.3
365.36771	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.063
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05483	2.5
56.96563	16.0
70.06580	30.4
70.75060	9.7
72.08136	4.5
78.02733	2.5
78.62344	2.3
83.58025	2.6
84.04483	2.9
84.08124	10.1
84.96016	3.2
85.02908	4.1
86.09714	13.8
91.67693	2.5
98.97581	12.6
101.11720	2.4
101.12357	2.6
110.97537	4.1
116.98621	7.8
120.08085	4.9
128.10713	4.7
128.98578	5.4
129.10236	7.2
134.99635	3.5
146.99591	5.1
147.04378	3.5
152.65514	2.4
161.01288	2.6
188.52783	2.4
190.12288	3.3
197.30031	2.5
201.00423	2.4
203.05293	6.9
213.04362	7.7
219.01753	4.5
237.02838	8.8
239.02226	13.5
257.03299	8.4
365.05954	100.0
365.10736	9.7
365.20303	4.8
366.06314	3.4
383.06430	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	365.0993
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	2.4
55.73276	2.5
60.04518	13.2
62.98667	2.4
67.05478	2.5
69.03403	2.4
69.45668	23.0
70.06576	15.2
72.08137	13.6
74.60883	2.5
79.05489	2.6
84.04512	4.1
84.08115	6.6
85.02882	3.3
86.09695	8.0
88.03914	2.0
91.05469	3.0
95.04926	2.8
95.08601	3.6
109.06489	2.5
116.07078	4.0
129.10242	7.3
144.08060	2.9
157.12111	2.9
203.05255	3.1
203.06990	3.8
235.11160	3.8
237.02827	8.7
347.11911	2.5
347.16080	3.7
347.26196	5.4
365.09552	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1048
Annotation	Unknow
Peak:m/z	Relative Intensity
70.76771	0.8
70.77158	0.7
74.69393	0.4
80.57513	0.3
89.58695	0.4
121.02335	0.4
130.14520	0.4
135.14255	0.4
185.04185	16.3
203.05231	37.5
204.05602	1.0
296.06961	0.4
365.10480	100.0
366.10828	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1047
Annotation	Unknow
Peak:m/z	Relative Intensity
71.09803	0.9
87.97179	0.4
115.01788	0.4
175.95061	0.4
185.02533	0.9
185.04187	16.6
203.05231	36.0
204.05600	0.5
221.06485	0.4
365.10495	100.0
366.10919	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1372
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04497	2.6
61.00834	1.1
61.01141	21.7
61.96129	0.9
67.05482	1.0
69.07024	0.9
69.74421	6.4
70.06577	1.8
72.04099	0.6
72.04504	18.0
74.72082	0.8
78.03786	11.2
81.03371	1.0
81.07062	1.1
85.02904	1.6
85.03486	1.1
85.06510	2.6
86.06041	4.0
86.09678	1.5
87.00826	11.9
88.02181	5.2
92.83565	1.1
94.21227	0.9
95.04971	1.0
97.02853	1.4
98.02414	1.4
99.05555	7.0
102.03760	11.3
103.02155	26.3
104.01662	2.4
104.03493	1.1
105.01850	1.7
112.07576	1.1
113.05984	3.7
114.03781	7.7
114.05513	45.8
120.04787	35.8
124.07600	2.6
127.03869	1.0
129.00047	5.5
131.06326	5.6
132.04767	10.6
140.03433	2.4
141.06538	2.2
142.08597	7.0
146.02701	11.7
147.01085	12.1
149.07417	27.0
159.05907	9.2
159.90474	1.0
160.49287	1.0
162.05844	1.3
164.03735	10.1
174.05791	5.4
174.99817	1.1
175.05339	3.3
184.09641	2.4
190.58350	1.1
191.08464	40.5
201.06870	2.5
206.04828	1.1
217.06413	6.5
218.04828	1.7
235.07446	100.0
236.07697	2.9
241.50964	0.9
261.12546	2.9
303.10449	1.9
303.13675	22.1
347.12628	25.6
365.10068	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2294
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05484	1.3
67.05505	2.1
69.07046	1.4
70.06567	0.9
70.46861	1.9
79.05475	1.0
81.07024	1.7
81.82588	0.4
83.06075	1.9
84.08124	0.5
85.02827	0.4
86.09718	0.6
86.17436	0.5
91.05457	1.4
93.04507	0.8
93.07027	1.5
95.04971	0.8
95.06069	1.9
95.08575	1.6
98.06027	0.5
105.07008	0.8
105.11547	0.4
107.08593	0.9
109.06487	0.7
109.10143	1.2
110.07152	7.7
119.08622	0.7
121.10107	0.8
131.08517	1.0
133.10100	1.5
135.11685	0.5
135.87526	0.5
137.05844	0.4
157.10030	0.4
161.09544	0.5
194.46494	0.5
203.05286	0.5
231.10646	0.5
235.41347	0.4
253.14305	0.7
273.18323	0.7
275.24777	2.6
291.19427	1.0
302.25522	0.5
320.26868	2.9
333.19186	0.4
347.21872	0.5
365.22949	100.0
366.23209	3.4
366.27487	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	366.1754
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	5.3
55.01864	9.1
55.05504	3.5
57.03426	6.7
59.04980	0.9
60.04497	1.1
61.02918	6.4
67.05488	1.3
68.99779	2.2
69.03419	33.7
69.03804	1.6
69.07053	1.0
70.06578	1.9
70.18414	2.9
71.04987	6.0
72.08155	0.8
73.02908	7.5
79.05488	1.2
81.03403	22.2
81.07040	1.4
82.03677	0.9
83.01334	1.1
83.04962	1.3
83.08587	2.1
85.02891	100.0
86.03227	1.9
86.09700	1.0
87.00813	45.7
87.04455	1.6
90.16200	0.7
91.03960	1.2
91.05466	0.9
93.07019	1.4
95.08570	1.4
97.02875	29.9
98.03215	0.9
99.04439	13.0
99.08051	0.8
101.02366	0.9
103.03928	1.1
105.01848	73.3
105.07040	0.9
106.02159	0.8
107.04933	1.1
107.08588	1.2
108.04457	2.7
109.02859	25.6
109.10143	2.2
111.08092	2.1
115.03906	1.4
117.01856	2.0
119.08652	0.8
126.05524	2.0
127.03896	73.4
128.04250	1.6
129.01796	3.7
129.06963	0.6
133.06488	0.8
133.10098	0.8
135.08017	1.4
141.09105	1.8
145.04939	40.0
147.02850	2.7
151.07547	1.7
151.11125	1.0
155.10599	0.9
159.02867	14.6
159.04082	1.3
160.03290	0.7
167.10631	1.2
169.12228	1.2
177.03990	1.5
189.03922	3.2
191.10634	1.9
198.82254	0.7
209.11653	5.3
213.03923	2.5
231.04967	23.4
242.18303	0.7
245.04424	1.6
248.07628	3.0
249.06071	8.2
269.13776	1.5
295.11670	4.9
313.12802	2.4
331.13690	0.8
341.34698	0.8
366.17947	1.1
366.22849	1.3
367.08026	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.1753
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.1
55.01863	6.1
55.05509	2.5
55.53472	0.6
57.03427	4.4
60.04517	5.1
60.16176	0.6
61.02912	5.9
62.06076	1.6
67.05503	3.9
68.99783	1.7
69.03417	34.4
69.07053	1.9
70.06577	4.6
70.12668	1.3
70.13062	1.5
71.01331	0.7
71.04989	6.2
72.08137	1.6
73.02907	5.4
74.06077	0.7
79.05492	2.6
81.03408	19.6
81.07038	5.6
83.08604	1.7
84.08140	2.7
85.02890	100.0
85.06538	1.2
86.03232	1.0
86.09689	13.6
87.00813	45.0
87.04460	0.8
87.05572	1.7
91.03941	1.3
91.05471	1.2
93.07040	4.1
95.08583	4.1
97.02874	27.7
98.06036	1.1
99.04430	13.4
103.03907	1.0
105.01847	93.9
105.07056	1.4
106.02178	0.7
107.08594	1.8
108.04440	1.7
109.02862	29.8
109.10155	3.4
110.07159	1.0
115.03919	1.3
117.01840	1.9
117.07009	1.8
118.96271	0.8
120.08105	4.1
121.06387	0.6
121.10139	2.5
123.02862	1.6
123.11674	0.7
126.05565	1.5
127.03894	70.8
128.10690	2.3
129.01837	3.1
129.10257	0.9
131.04878	1.2
131.08519	1.8
133.06488	0.9
135.11662	1.9
136.06120	0.9
145.04933	34.4
147.02794	1.7
149.13193	0.7
154.07761	1.8
158.09602	0.7
159.02869	8.8
159.07977	1.9
159.11652	0.9
163.03867	1.6
164.07005	1.2
166.08621	1.8
169.10104	4.5
169.12238	1.2
172.08771	1.0
173.12845	16.7
187.11147	16.2
189.03949	3.4
201.12366	5.3
205.12193	6.8
209.18927	1.4
213.03859	3.9
227.20180	3.3
231.04973	28.4
249.06015	18.2
283.05978	1.0
331.13852	1.5
331.19208	1.5
348.21786	2.3
366.22934	2.0
366.27960	0.8
388.74408	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.2018
Annotation	Ser Ile Phe
Peak:m/z	Relative Intensity
60.04516	18.5
64.37791	0.3
69.53443	3.2
70.02948	0.8
70.06573	0.5
72.04487	0.8
77.07538	0.3
77.84853	0.3
81.07043	0.9
86.09692	61.6
86.90366	0.4
87.05578	13.7
87.10049	0.9
89.85101	0.3
91.05475	0.4
103.05475	0.7
107.25967	0.4
120.08088	22.9
121.08456	1.0
123.11693	0.7
128.10692	8.4
131.04872	0.7
149.05937	0.5
151.11244	0.5
156.10187	0.7
166.08617	14.0
169.12244	0.7
173.12833	100.0
174.13211	2.1
201.12314	35.4
202.12563	0.7
207.11221	1.0
279.17032	1.5
286.08649	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.2268
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70301	0.3
55.05512	0.4
57.03440	0.4
57.07067	4.7
58.06569	1.4
59.15803	0.3
65.03919	2.0
67.05486	0.7
69.03417	0.5
69.45607	2.3
69.46015	0.7
70.06577	13.7
71.08619	2.7
72.08141	0.7
74.09709	4.6
77.91254	0.4
79.05479	0.5
81.03407	0.6
81.07029	1.2
84.08119	1.0
86.09666	0.7
88.07616	17.2
91.05481	0.6
93.07046	0.9
95.04954	0.8
95.08534	0.4
97.02866	0.3
102.09161	11.2
105.07005	0.4
107.04925	0.4
110.07150	0.8
121.02847	0.8
127.99683	0.3
139.03854	1.5
139.06230	0.4
145.65895	0.4
149.02318	69.8
149.03374	3.5
150.02654	1.2
150.96869	0.4
193.04932	84.4
194.05220	2.1
200.20061	45.5
201.20395	0.7
214.64421	0.4
221.08000	0.8
246.98938	0.5
263.58569	0.4
293.13791	0.6
366.22693	100.0
367.23044	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.2381
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05476	1.3
59.43865	1.3
67.05486	2.2
69.03388	1.2
70.06568	3.0
70.69998	2.3
70.70399	2.4
72.08144	1.8
79.05460	1.2
81.07007	2.6
84.05680	1.1
84.08112	2.4
85.02863	1.5
86.09689	58.2
93.06992	1.8
95.08570	1.9
103.05408	2.4
107.04916	2.6
107.08535	1.5
110.07115	1.4
119.08566	1.4
120.08084	80.3
128.09775	2.1
128.10698	36.5
146.87291	1.2
149.05925	2.8
156.10175	19.1
166.08612	100.0
193.58797	1.1
196.74174	1.2
258.77936	1.1
295.82666	1.1
304.37610	1.3
321.17935	4.5
366.28152	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	366.2632
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.3
55.05504	4.9
56.05015	1.4
57.03429	5.8
57.07056	1.9
58.06573	3.5
60.04503	1.3
62.63974	0.7
67.05173	1.4
67.05495	19.9
69.03394	1.2
69.07050	4.5
70.06576	1.5
70.13386	4.0
71.08610	1.8
72.08123	3.1
74.09708	2.1
79.05048	1.0
79.05477	11.3
81.03391	1.3
81.07045	16.8
82.06558	3.2
83.04971	1.1
83.06081	3.1
83.08595	3.4
84.08102	0.9
87.04434	1.1
91.05476	5.1
93.04489	1.7
93.07025	12.7
94.06564	5.8
94.07149	1.1
94.26157	0.8
95.04939	2.1
95.06065	3.0
95.08590	12.4
97.06471	1.3
97.10131	1.5
98.20856	1.0
99.08060	1.5
105.07017	6.9
107.04920	1.2
107.07304	0.7
107.08558	8.1
108.08094	3.0
109.06520	1.1
109.10144	6.8
110.07150	16.0
110.09638	0.9
111.05538	3.0
112.08708	0.9
112.11160	1.2
117.06991	2.1
119.08553	4.7
120.08051	1.2
121.06454	0.9
121.10110	11.1
122.09669	4.5
123.11655	3.2
124.11153	1.6
125.09610	1.4
126.12718	1.0
131.08559	5.1
133.10091	4.9
134.09630	2.3
134.32199	0.7
135.08022	1.0
135.11670	7.7
136.11208	6.8
139.11108	1.3
141.06926	0.8
143.08519	1.1
145.10114	4.1
147.11688	4.0
148.11142	1.4
149.09584	1.6
149.13182	2.6
149.39117	0.8
151.11185	1.0
159.11658	3.0
161.13191	1.6
162.12746	3.0
163.11095	2.3
171.11639	0.9
173.13232	3.7
176.14267	1.4
180.13800	1.8
190.12268	0.8
194.15388	1.8
198.14828	1.2
212.16318	1.1
215.17889	6.8
231.17477	0.9
233.18987	5.5
241.14325	5.4
250.21594	1.6
251.20044	1.1
255.15796	1.8
274.21652	7.4
275.20053	2.2
275.24777	3.1
292.19485	1.4
292.22641	12.3
293.20862	1.7
299.28198	0.9
307.22711	1.4
310.23627	1.0
320.26913	5.7
322.27402	1.3
348.25488	1.3
349.23746	1.7
349.28101	1.2
366.26428	100.0
367.22375	1.1
367.27011	5.4
373.04968	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.2632
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01845	0.5
55.05502	3.9
57.07070	0.9
60.04514	59.1
63.39587	0.5
67.05493	10.6
69.03429	0.5
69.07061	3.1
69.99706	2.6
70.02938	2.4
70.06584	0.6
74.09692	0.7
79.05479	10.2
80.60081	0.5
81.03443	0.5
81.07040	10.4
83.04976	0.6
83.06091	0.8
83.08588	1.5
85.02869	0.4
85.06498	0.4
88.03976	28.3
91.05456	5.6
93.04507	0.5
93.07021	9.9
95.04953	1.2
95.06105	0.6
95.08594	7.8
97.06514	0.4
97.10146	0.5
98.21397	0.7
102.79329	0.4
105.07005	3.6
106.05009	100.0
107.05352	0.8
107.08573	6.4
109.10130	2.8
110.07153	3.5
115.04539	0.5
117.06986	1.6
119.08549	2.9
121.06441	0.7
121.10130	6.1
123.11672	1.4
131.08536	2.7
133.10112	3.0
135.11681	3.3
136.06120	0.6
137.13220	0.5
143.08557	0.7
145.10089	2.3
147.11626	1.6
149.13208	1.9
157.10042	0.6
159.11652	1.4
161.13217	1.1
163.14755	0.9
171.11623	0.6
173.13200	1.6
175.14719	0.6
187.14746	1.0
233.22571	0.5
243.20987	1.3
261.22113	5.6
262.22311	0.5
275.24747	0.7
294.20468	1.1
320.26654	1.5
322.27191	1.8
322.30923	3.4
348.25146	0.9
349.23779	0.5
366.26898	6.7
366.33530	2.2
380.49222	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.2745
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	1.9
56.05014	1.4
57.07066	0.6
67.05494	4.1
68.05004	1.0
69.07053	2.2
70.43826	1.2
79.05486	0.4
80.04996	0.6
81.04524	1.6
81.07036	3.3
82.05318	1.3
83.06091	14.4
83.08612	0.7
86.72009	0.3
93.04517	10.2
94.06542	0.3
95.06078	16.2
95.08589	3.7
97.07655	0.8
97.10143	0.4
102.58435	0.3
107.06075	2.8
109.07629	0.6
109.10142	0.8
110.07150	73.1
111.05533	2.5
111.07494	0.8
112.08727	1.9
116.66400	0.3
119.06058	0.4
120.06843	0.3
121.07611	1.1
122.07129	0.4
139.04956	0.4
156.07660	3.8
165.13806	0.3
166.96959	0.3
249.19421	0.4
251.60851	0.4
263.24719	0.7
273.23370	0.4
275.24777	21.0
276.25046	1.0
293.25693	0.9
296.79425	0.3
302.25867	5.8
305.25824	1.0
320.26926	26.4
321.14590	0.3
321.24936	0.7
321.27512	0.5
322.28448	0.7
331.23969	0.4
348.26279	0.5
366.27457	100.0
367.27783	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	366.3
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.5
54.37006	0.5
55.05501	2.3
56.05034	1.3
56.96572	0.6
57.07067	1.2
58.27444	0.4
67.05497	4.9
68.05025	1.0
69.07063	3.4
70.06585	1.0
71.08640	0.7
71.62667	0.9
74.09715	4.2
76.20276	0.5
79.05486	2.8
80.05013	2.9
81.03419	0.6
81.04538	0.7
81.07056	5.1
81.27934	0.5
81.36607	0.4
82.05309	0.8
82.06563	0.6
83.06096	7.2
83.08615	1.5
84.08147	0.6
86.06065	1.0
87.04465	14.5
89.57618	0.4
91.05484	1.2
93.04527	4.8
93.07051	3.1
94.06562	0.8
94.63009	0.5
95.06081	7.2
95.08595	4.5
96.08134	0.9
97.06530	0.6
98.06045	1.7
105.07019	1.4
107.04961	0.5
107.06104	0.6
107.08578	3.5
108.08102	2.6
109.07591	0.4
109.08849	0.5
109.10146	1.8
110.07157	33.6
110.09661	2.7
111.05574	1.7
111.08123	0.5
112.08706	0.6
119.08572	0.9
120.08088	0.8
121.07639	0.5
121.10139	1.4
122.09664	1.4
123.10434	1.0
123.11703	0.6
124.07623	0.5
124.11224	0.8
133.10110	1.1
135.11703	0.5
136.07596	1.1
136.11235	1.3
149.01198	0.5
156.07661	2.8
157.00447	0.5
163.17471	0.4
164.10716	0.8
166.07285	0.8
166.08646	3.3
178.12105	0.5
180.10248	0.9
181.10928	1.1
182.11862	0.4
184.09688	1.2
194.11749	4.9
196.13380	1.5
206.18959	2.3
209.14128	1.2
219.21175	0.6
234.22218	2.9
236.23706	11.7
237.24112	0.5
248.03111	0.5
258.22247	1.4
262.21594	1.0
268.22668	0.9
275.20029	1.1
275.24774	10.4
275.27484	0.8
276.25000	0.6
279.05319	0.9
280.26178	0.5
285.13336	0.5
292.22714	4.2
295.86429	0.5
297.06332	0.5
297.13605	0.5
298.31772	0.4
302.25858	2.3
304.22696	2.4
304.25793	0.5
320.26990	12.2
322.27383	100.0
323.27667	4.0
324.28806	1.0
338.28708	0.5
348.13339	0.6
348.25644	0.5
349.13327	0.5
366.30685	82.4
367.15393	1.0
367.24057	0.6
367.31039	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	366.3361
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03424	0.4
53.03914	0.6
55.01845	0.9
55.05507	16.9
57.01782	0.3
57.03418	1.0
57.07067	3.8
60.04519	4.5
60.08147	2.1
62.75655	0.3
62.94896	0.4
65.03900	1.4
67.05497	46.3
68.05801	0.8
69.07063	23.3
70.07373	0.5
71.04953	1.7
71.07347	0.5
71.08592	1.8
73.02912	2.0
79.05489	10.0
81.07048	48.9
82.07353	1.2
83.04950	1.0
83.06041	0.6
83.08612	8.9
85.06506	1.6
86.09666	1.1
87.04469	0.8
88.03976	1.8
91.05463	5.5
93.06467	0.5
93.07034	9.1
94.07319	0.7
94.35152	0.5
95.04913	1.3
95.06026	0.5
95.08595	36.7
96.08900	0.6
97.06488	1.3
97.10166	2.9
99.04446	3.1
99.08043	0.9
105.07017	2.5
106.04379	0.7
106.05015	8.4
107.07860	0.6
107.08575	6.0
109.06470	1.1
109.10148	12.4
110.07172	2.1
111.08037	0.5
113.06003	0.4
116.96134	0.5
117.06967	0.7
119.08578	2.8
121.06451	0.6
121.10117	4.3
123.08030	1.5
123.11711	4.1
126.12646	0.4
131.08530	1.4
133.10086	1.8
135.08064	0.6
135.11707	2.3
137.09555	0.6
137.13167	1.4
145.10051	1.1
147.11617	1.2
149.09534	0.5
149.13240	1.1
151.14758	0.8
158.10492	0.7
159.11682	0.6
161.13211	0.9
161.61885	0.4
163.11099	0.6
163.14796	0.8
173.13220	0.5
179.14191	0.6
187.14787	0.4
209.15506	0.5
221.15331	1.6
229.22746	0.5
247.14996	0.4
261.22104	1.2
275.24887	0.6
289.25220	0.5
307.26266	63.9
308.26642	2.4
320.27020	0.9
322.30920	0.8
331.26196	0.5
348.25772	1.7
349.27374	1.9
366.27142	10.3
366.33627	100.0
367.33936	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	367.1595
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	3.9
55.01854	4.4
55.05257	2.6
55.05504	39.4
55.15294	1.1
56.05023	1.9
57.03427	3.6
61.02911	5.7
67.05472	1.3
68.99778	1.8
69.03422	22.0
69.77107	9.9
70.06572	5.6
71.04983	2.7
73.02908	3.2
81.03409	13.8
82.96555	1.3
83.08605	100.0
84.04487	1.6
84.08118	3.5
84.08937	2.3
85.02890	50.0
86.09678	3.8
87.00815	25.0
93.07009	1.4
97.02880	19.3
98.97572	1.8
99.04444	6.0
101.09641	82.0
105.01852	25.5
109.02873	16.4
112.73693	1.1
119.10677	24.5
120.08183	1.4
122.06005	1.6
127.02959	2.2
127.03899	37.0
129.01804	1.8
129.10178	1.7
145.04935	9.0
159.02855	3.0
177.50856	1.4
178.64900	1.5
189.04057	2.0
223.04544	1.3
231.05019	8.1
249.06108	2.6
270.06647	1.3
330.14612	1.7
339.08557	1.7
367.16293	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1593
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	3.7
55.01860	3.4
55.05264	2.8
55.05503	42.1
56.05009	2.0
57.03424	6.3
59.04989	1.7
61.02912	4.4
61.83487	1.8
62.60720	2.1
63.19638	1.8
64.96524	1.9
69.03419	26.8
69.50832	14.2
70.06583	14.8
71.04970	3.1
72.08126	4.4
73.02907	3.8
78.92870	1.9
81.03403	12.8
83.08601	100.0
84.04501	4.1
84.08124	9.4
85.02890	62.3
86.09700	12.0
87.00811	25.2
87.04453	2.0
91.05422	2.1
97.02881	20.0
98.97543	4.4
99.04414	7.1
101.09638	78.8
105.01842	27.6
109.02853	14.4
114.03165	1.9
115.03938	1.9
116.98585	2.2
119.10676	26.3
120.08104	2.1
122.05994	8.3
122.75485	2.0
127.03893	37.4
129.10222	6.0
130.06529	2.3
131.06776	2.0
136.06157	1.8
136.07541	3.1
145.04944	13.1
147.04381	2.6
150.05487	3.6
159.02866	4.6
168.06575	4.5
182.08171	2.3
200.04279	1.9
213.04265	2.2
227.45450	2.0
231.04944	8.5
237.02808	4.7
243.93690	1.9
267.13156	2.0
291.11740	1.8
293.09158	2.6
317.11356	2.8
335.12210	3.2
339.08493	2.4
365.05481	3.0
367.06598	4.3
393.39233	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1604
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.8
55.01855	1.8
55.05483	1.2
56.05015	1.7
57.03427	6.9
57.61988	0.7
58.55627	0.9
60.04502	3.0
61.02914	2.0
64.60212	0.9
69.03070	1.2
69.03414	16.1
70.06570	6.5
71.01342	2.8
71.04965	4.5
71.57339	0.7
72.08140	3.1
73.02889	1.7
74.06050	2.1
75.04476	1.6
81.03407	5.5
81.07025	1.3
83.08570	1.6
84.04490	1.7
84.08109	4.0
85.02864	1.2
86.09694	3.2
87.04459	0.9
91.04905	0.8
91.05464	3.0
93.06995	1.2
97.02878	1.1
98.97559	0.9
99.04430	7.7
102.96819	0.8
110.07135	1.3
117.05415	1.6
118.06510	2.7
119.04919	1.4
120.08121	1.1
127.03867	1.1
129.10233	2.1
136.07562	1.0
145.07564	5.0
147.04376	3.4
147.09137	2.5
161.07060	3.2
172.08661	10.1
173.07079	8.9
175.07347	1.2
175.08626	3.1
190.09700	49.7
191.08107	36.2
193.04971	0.9
207.07631	1.8
216.07637	37.8
217.08057	1.2
233.09189	1.0
263.74103	0.9
306.14301	2.2
307.12787	30.7
308.13113	1.0
324.15463	100.0
325.15833	2.7
349.27722	1.4
350.13388	37.9
351.13660	1.1
367.28821	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2473
Annotation	Betaenone A
Peak:m/z	Relative Intensity
53.03930	2.1
55.01862	3.6
55.05499	14.8
57.03402	3.9
57.07058	2.4
67.05164	2.5
67.05496	28.5
67.05829	3.2
69.03429	2.4
69.07056	17.0
70.41750	3.1
70.42135	3.0
71.04970	2.4
71.08608	2.9
79.05475	19.3
81.03407	3.0
81.04529	2.3
81.07045	30.6
83.04530	1.4
83.04965	9.2
83.06077	4.9
83.08592	4.4
91.05456	23.9
93.07022	28.4
93.77436	1.4
95.04979	6.9
95.06040	2.6
95.08597	19.0
97.06507	3.9
97.10153	3.5
99.08083	2.7
99.16046	1.4
103.11207	1.3
105.07006	25.1
107.04952	7.7
107.08576	18.1
109.06498	9.5
109.10142	9.2
110.07158	10.0
110.07816	2.0
111.05553	7.2
111.07430	2.3
115.05479	2.2
117.06994	5.4
119.08546	16.4
121.06482	14.6
121.10147	9.3
123.08060	5.3
123.11706	2.5
125.09666	1.8
129.06979	2.5
131.08542	18.4
133.06487	3.1
133.10103	17.8
135.08040	6.6
135.11641	4.8
137.09592	2.4
139.11172	2.0
141.06883	1.3
143.08476	3.7
145.06448	2.9
145.10086	11.8
147.08015	5.2
147.11688	12.8
149.02266	2.3
149.09581	7.6
149.13246	4.3
150.13483	1.6
151.01753	1.4
151.11139	6.1
157.10132	3.7
159.08104	2.2
159.11629	8.6
161.09599	3.4
163.11163	6.7
167.03378	4.8
169.10062	2.2
171.11655	4.3
173.09549	1.8
173.13226	5.3
175.11145	2.3
175.14705	1.8
177.12672	1.7
183.11646	2.7
185.05870	1.8
187.11095	3.0
187.14751	2.2
188.04692	10.4
189.12706	1.5
191.14201	2.5
199.14754	1.6
201.12729	1.7
203.07008	21.7
205.15720	1.7
207.13760	3.5
211.14716	1.6
215.14259	1.5
219.13730	3.4
229.19652	1.9
231.06497	15.5
239.17909	3.8
247.20602	3.5
249.07419	3.9
257.18954	11.5
275.20020	100.0
276.20441	3.7
276.25089	2.7
293.21057	13.7
321.27115	3.8
349.14481	3.4
349.23712	54.0
349.28134	5.9
367.15054	4.3
367.24600	24.3
367.28644	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	367.2627
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61618	2.0
53.03933	5.5
55.01875	2.2
55.05502	25.3
55.19992	1.7
57.03424	1.9
57.07062	10.5
65.03933	4.5
67.05496	43.4
69.03423	7.6
69.07056	25.5
71.04990	9.4
78.04766	1.9
79.05479	33.4
80.05070	1.8
81.07043	57.8
83.04958	6.0
83.08604	10.8
85.06525	4.9
91.05464	53.7
92.05790	2.2
93.07030	80.3
95.04951	37.3
95.08595	67.9
95.09218	2.3
97.06504	17.3
103.05473	4.5
105.04530	2.1
105.07016	93.2
107.04969	3.8
107.08578	66.9
109.06490	18.2
109.10135	43.6
109.15682	1.9
111.08091	4.8
113.81949	1.8
115.05424	3.9
117.06990	19.5
119.08565	100.0
121.06492	12.4
121.09292	4.4
121.10130	58.2
121.11015	3.1
122.10630	1.8
123.08076	9.9
123.11683	16.1
125.09634	2.4
128.06224	13.2
129.06995	18.9
130.07784	11.0
131.08551	56.8
133.06450	4.0
133.10107	71.8
135.08005	20.2
135.08852	2.1
135.11674	23.4
137.05997	2.0
137.09641	6.6
141.06953	3.6
142.07764	20.3
143.08540	46.5
144.09349	14.9
145.06487	3.4
145.10097	64.6
146.07262	6.5
146.10741	2.4
147.08015	12.8
147.11656	21.8
149.09602	16.8
149.13231	4.0
154.07832	2.3
155.08537	13.8
156.09357	13.8
157.10107	50.8
158.10863	8.5
159.08054	7.6
159.11665	42.0
160.08745	2.9
160.12129	1.8
161.09592	41.8
161.13222	10.3
163.11136	5.3
163.14839	2.3
165.07129	3.3
167.08528	7.3
168.09315	4.5
169.10103	18.0
170.10828	7.4
171.11659	29.8
172.12344	4.1
173.09570	8.0
173.13264	25.0
174.13631	2.3
175.11212	11.4
175.14792	19.2
179.08531	9.0
180.09184	2.2
181.10077	11.5
182.10799	7.2
183.11659	23.1
184.12296	3.3
185.09578	4.9
185.13223	17.4
187.11237	3.3
187.14804	16.6
189.12704	4.5
189.16380	2.7
191.14322	2.4
193.10072	5.9
194.10883	9.0
195.11693	14.5
196.12411	3.6
197.13200	21.6
198.13956	2.7
199.11116	5.7
199.14786	15.1
200.15546	2.4
201.12833	4.5
201.16330	8.0
205.10078	2.3
207.11592	3.1
208.12340	2.3
209.13237	29.3
210.13940	2.6
211.14792	12.7
213.05386	2.6
213.12729	5.7
213.16306	5.2
215.14365	4.4
221.13333	2.9
223.14719	6.1
225.16412	5.6
227.06992	3.5
227.14264	22.7
227.17790	2.3
229.15926	4.9
231.17351	2.2
237.12567	2.3
237.16365	6.7
239.17949	11.1
241.15926	2.8
241.19470	2.7
247.14836	2.2
249.16313	4.3
251.17921	3.6
253.19394	5.0
255.17392	8.3
257.18997	5.0
265.19479	5.9
267.17404	3.9
269.08063	3.1
269.19202	3.7
283.20575	2.8
291.20975	2.6
293.18893	3.3
295.13303	2.0
328.37683	2.1
331.24051	3.3
349.00931	2.0
349.25067	13.3
367.18805	3.3
367.26218	20.6
367.33923	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	367.2625
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	9.5
55.01846	6.6
55.05285	3.9
55.05507	34.6
57.07070	15.8
58.41470	3.1
59.04984	3.4
65.03928	6.2
67.05495	58.2
68.05838	4.2
68.86829	2.9
69.03408	7.5
69.07057	41.6
71.04981	8.0
71.60935	5.1
79.05480	36.2
80.05819	3.4
81.07045	69.7
82.07381	6.8
83.04929	5.5
83.08598	16.8
85.06524	12.9
91.05464	55.6
93.07027	83.7
95.04957	32.8
95.08591	69.0
96.08918	8.2
97.06506	13.5
97.10165	4.5
99.08096	4.9
105.07017	89.3
106.30809	3.0
107.04972	3.5
107.08569	58.0
109.06485	12.3
109.10129	47.4
110.07151	4.5
110.10548	3.7
111.08083	4.4
115.05445	5.6
116.06281	4.4
117.06997	24.6
119.08560	100.0
121.06483	10.9
121.10135	52.1
123.08073	10.2
123.11678	17.8
125.09550	3.6
128.06206	13.3
129.06966	16.7
130.07770	8.2
131.08554	54.3
133.10117	60.8
135.08029	16.2
135.11668	26.8
137.09602	5.5
141.06972	5.2
142.07753	21.5
143.08530	36.1
144.09323	8.2
145.10097	69.0
146.07179	4.1
147.08037	12.1
147.11656	25.0
149.09604	24.5
149.13185	4.8
155.03426	4.4
155.08551	12.3
156.09344	14.1
157.10097	49.7
158.10756	7.2
159.08116	6.0
159.11661	37.8
161.09578	47.1
161.13240	10.4
163.11157	6.3
167.08533	4.6
169.10080	15.0
170.10883	8.1
171.11620	27.0
173.09584	6.7
173.13242	28.4
175.11165	12.0
175.14799	21.9
179.08566	9.5
181.10123	7.3
183.11694	22.4
185.13237	15.0
187.14825	15.4
189.16295	4.2
191.10510	5.0
191.92738	3.8
194.11009	7.0
195.11713	11.2
196.12367	4.1
197.13254	14.5
199.14708	15.8
201.12704	7.9
201.16278	8.2
209.13213	23.1
211.14743	9.2
213.12698	4.3
213.16382	7.8
215.14532	3.3
221.13213	4.3
223.14790	6.4
225.16273	6.5
227.14317	22.2
239.17905	10.3
241.19427	4.4
255.17291	7.6
257.18854	5.5
265.19455	5.0
269.18921	3.5
308.26639	35.1
349.25092	5.3
349.27527	6.2
367.18942	3.8
367.26541	20.0
367.33914	71.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2836
Annotation	3beta-Acetoxy-8beta,15-dihydroxy-ent-labda-13E-ene
Peak:m/z	Relative Intensity
53.03938	1.2
54.92363	0.8
55.05503	13.1
57.03415	1.7
57.07066	5.5
61.06018	0.8
67.05164	1.0
67.05494	14.6
69.03407	1.7
69.07054	20.2
70.05638	2.7
70.06050	1.8
71.04949	1.3
71.08622	11.8
79.05479	7.0
81.06567	1.5
81.07043	22.5
83.04967	3.3
83.08601	8.7
85.06495	1.9
91.05479	6.0
93.07026	12.1
95.04938	2.3
95.08592	18.0
97.06508	2.5
97.10132	2.9
99.08080	11.1
105.07011	7.5
105.73753	0.9
107.08584	11.0
109.06499	7.5
109.10137	9.0
110.16568	0.9
111.04421	1.2
111.08060	4.2
117.41946	0.9
119.08563	7.7
121.06465	1.7
121.10146	6.6
122.07264	1.0
123.07175	1.5
123.08046	23.0
123.11677	3.6
125.05949	2.8
125.09584	1.5
131.08546	3.1
133.10126	10.7
135.08006	4.5
135.11679	4.8
137.09570	2.1
137.13184	1.9
139.07533	1.6
143.08554	1.2
145.10098	3.7
147.11652	3.0
149.09596	2.5
149.13235	2.7
151.11145	1.3
151.14755	1.8
153.12704	5.6
157.10104	1.5
159.11673	2.5
161.09564	1.1
161.13229	2.0
163.11118	1.5
163.14780	2.7
165.12746	2.0
166.82043	0.8
167.14247	2.0
171.11711	1.2
173.13228	1.2
175.14848	1.7
177.12810	1.5
177.16423	0.9
179.14282	34.3
180.14619	1.1
189.16362	2.7
191.14224	1.9
193.15744	1.7
195.13765	1.1
205.15794	1.1
209.15126	0.8
223.20428	1.0
233.18973	0.9
247.07643	0.9
251.17583	1.3
251.20030	11.7
252.20380	1.0
275.19974	1.5
293.21048	10.2
293.28333	3.5
303.26813	11.0
321.27875	4.7
331.26266	42.3
332.26590	1.8
349.27319	100.0
350.27609	3.1
367.15091	1.2
367.28360	11.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.0971
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45845	0.2
53.03940	0.4
53.16503	0.2
55.01862	0.5
55.05520	0.3
56.96556	0.4
57.03422	0.4
58.27741	0.2
61.02916	1.1
69.03423	2.4
70.06586	1.6
70.50216	0.6
71.04993	0.4
72.08137	0.7
73.02905	0.4
79.05463	0.2
81.03416	0.9
84.08129	0.6
85.02893	6.2
85.58966	0.2
86.09678	0.4
87.00816	0.3
87.04462	0.6
87.43372	0.2
89.03911	1.0
91.03944	0.5
97.02888	2.0
98.97573	0.6
99.04445	0.5
107.04935	0.6
109.02877	0.5
116.98598	0.5
117.03397	0.7
120.08105	0.3
121.10387	0.2
127.03887	1.6
128.98613	0.2
129.10208	0.3
132.04431	4.9
132.05386	0.4
133.02869	0.4
134.99573	0.3
135.04396	1.4
136.07578	0.4
137.05923	0.2
145.02776	0.7
145.04961	1.3
146.06027	0.4
146.99629	0.4
147.06335	0.3
156.07733	0.3
160.03905	0.4
161.01170	0.3
161.04800	0.3
163.03883	5.9
170.99539	0.3
178.04971	56.0
179.05327	1.9
188.07047	0.6
189.07344	0.8
201.00629	0.6
206.04454	100.0
207.04813	2.8
219.01741	0.8
231.08363	0.3
237.02722	0.6
257.03253	0.3
261.02728	0.4
279.03867	0.3
291.03836	0.5
321.04788	0.4
341.54593	0.2
351.12460	0.3
352.67828	0.3
368.09650	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96564	0.7
61.02940	0.6
66.46772	0.5
69.03417	1.4
69.48232	4.8
70.06573	0.9
84.04526	0.6
84.08124	0.7
84.91181	0.9
85.02892	2.1
86.09695	100.0
87.10036	1.1
88.11609	0.5
89.30734	0.6
91.69859	0.6
97.02911	0.7
98.97636	0.5
110.07161	0.9
127.03934	0.8
132.10188	83.8
133.10529	0.8
146.45021	0.6
152.05627	0.7
156.07661	0.6
161.03026	0.7
163.03934	0.7
212.04475	1.6
216.18369	0.6
236.04318	1.0
254.05548	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.1911
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	3.2
55.01867	6.1
55.05505	1.9
56.76197	0.9
57.03436	6.1
60.04517	1.0
60.85529	0.8
61.02913	7.2
67.05479	2.0
67.89252	0.9
68.99783	2.6
69.03423	34.4
69.07070	1.1
70.06592	2.3
70.75913	1.2
70.76234	1.6
71.04990	4.6
72.08166	1.4
73.02904	6.2
79.05499	2.2
81.03409	24.8
81.07055	1.0
84.08131	1.0
85.02895	100.0
86.03226	1.0
87.00819	40.5
91.03925	1.8
91.05504	2.5
93.07034	2.0
95.08594	1.4
97.02879	27.2
99.04440	13.1
103.03929	1.9
105.01852	88.0
105.07012	2.1
107.08570	2.3
108.04476	1.7
109.02869	28.0
109.03580	1.9
110.07158	1.1
114.09148	1.8
115.03907	1.2
117.01839	1.7
117.06997	0.9
126.05505	1.3
127.03902	76.5
129.01845	4.1
129.10202	0.9
136.06120	1.5
139.51825	0.9
145.04944	35.4
147.02873	2.7
159.02863	12.1
163.05898	1.1
171.02943	1.5
177.03989	1.2
177.05446	2.1
189.03899	3.7
211.13324	1.2
213.03912	3.4
230.06621	1.1
231.04967	27.6
231.07188	1.7
249.06026	9.7
368.24466	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.4244
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	0.4
57.06816	0.3
57.07072	4.3
58.06588	1.1
60.08155	17.3
67.05470	0.3
71.08620	2.0
74.09710	0.5
81.07045	0.7
83.56357	0.3
85.10161	0.9
86.09675	0.3
91.05442	1.4
95.08581	0.4
107.08578	0.3
118.23335	0.3
118.32600	0.3
144.82361	0.3
164.78194	0.3
207.76768	0.3
227.06853	0.3
239.61566	0.2
241.97569	0.3
278.38257	0.3
368.42447	100.0
369.29666	0.8
369.42786	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	369.1174
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	1.0
56.05015	0.4
57.03407	0.5
61.02917	0.5
67.05478	1.8
69.03415	2.3
69.07048	0.8
69.47565	1.2
69.47987	2.2
70.06582	5.2
71.04974	1.4
72.08138	2.3
74.06030	0.4
79.05465	1.3
81.03385	1.2
81.07026	1.3
82.06525	0.5
83.04954	1.2
83.08604	0.6
84.04483	1.6
84.08134	3.5
85.02887	2.9
86.09684	3.1
87.00810	0.6
89.03899	5.3
91.05466	2.6
93.07031	2.0
95.04965	0.7
95.08624	0.9
97.02856	1.4
97.06478	0.7
99.04440	0.6
103.05456	0.6
105.01806	0.8
105.07018	2.9
106.07287	0.7
107.08569	1.0
109.02858	1.0
109.10108	0.7
110.07134	1.3
111.04418	0.7
116.07083	0.7
117.03360	18.4
119.04951	0.4
119.08553	1.0
120.08056	1.4
121.10146	0.4
127.03880	2.3
129.10188	2.3
130.04999	0.5
133.06476	0.6
133.10068	1.2
134.03595	1.5
135.04382	1.7
135.11658	1.3
136.07527	1.0
137.06001	0.6
145.02818	50.1
146.03136	1.2
147.04366	1.0
147.07990	0.6
149.05966	7.2
153.12712	1.1
159.11566	0.6
161.05992	0.6
161.09622	1.6
162.03139	0.6
162.06232	0.6
163.03859	1.1
163.11200	1.0
164.06967	0.5
177.05438	100.0
178.05794	3.5
179.03378	2.2
179.10619	0.8
186.05347	0.8
189.09065	0.9
189.12756	0.5
195.06454	0.6
207.10095	0.5
207.13707	0.6
214.07172	0.5
224.71266	0.5
227.26823	0.5
276.99905	0.4
351.10480	0.5
351.14383	1.5
362.56741	0.4
369.15387	0.9
374.83801	0.4
392.03256	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1541
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64528	0.5
53.03941	2.1
54.25860	0.5
55.01858	1.7
55.05503	2.2
57.03421	2.1
61.02911	1.5
65.03923	0.8
67.05499	2.8
69.03422	9.1
69.07057	1.4
70.06588	2.7
71.04983	8.3
71.63027	1.0
72.08144	2.2
73.02911	0.8
74.11270	0.5
77.03913	0.9
79.05483	6.8
81.03406	28.1
81.07050	4.5
81.93637	0.5
82.03763	0.5
83.04977	1.1
84.04494	0.7
84.08121	2.9
85.02892	4.8
86.09698	1.5
91.03936	0.9
91.05463	15.7
93.07023	8.2
95.04439	0.6
95.04935	2.9
95.08588	3.8
97.02871	3.4
97.06529	0.5
98.97536	0.5
99.04437	23.9
103.05458	2.2
105.07014	100.0
105.58853	0.5
106.07355	2.2
107.04970	3.4
107.08573	6.6
109.02862	18.9
109.06499	4.2
109.10148	1.7
110.07139	0.7
114.09134	0.6
115.05469	1.4
117.03411	0.5
117.05488	0.6
117.07004	2.0
118.07777	0.8
119.04934	3.0
119.08560	9.8
120.08082	1.6
121.06494	5.1
121.10129	1.8
123.04415	0.7
123.08009	2.7
123.11698	1.0
125.05943	0.7
127.03879	3.9
128.06201	4.1
130.07777	0.7
131.04932	1.0
131.08553	3.8
133.06480	10.8
133.10109	69.1
134.10439	1.3
135.04404	3.1
135.08026	0.9
135.11681	2.2
137.05968	3.7
137.09593	1.0
143.08539	9.0
145.02837	1.8
145.04938	2.5
145.06438	1.2
145.10103	7.2
146.07237	3.6
147.04402	0.7
147.08011	2.1
147.11621	0.6
149.06003	0.8
151.07539	7.5
151.11179	1.4
159.07979	1.1
159.11807	0.6
161.09595	83.9
162.09984	3.1
163.11159	21.6
164.11511	1.2
165.05470	0.8
165.09102	0.9
171.08044	2.5
174.06776	0.8
175.03928	0.6
177.05417	3.5
179.10641	17.1
180.11093	1.1
189.09077	37.0
189.12701	1.6
190.09464	1.2
191.10587	0.5
191.14320	0.7
201.05411	1.0
207.06490	1.5
207.08185	1.0
207.10132	18.4
207.12054	1.0
207.13565	1.1
208.10579	0.7
213.07516	3.9
217.12125	0.8
225.11151	3.7
231.08481	0.7
243.08501	2.5
261.09683	3.5
305.13666	1.0
315.08490	1.0
323.15027	2.6
333.13290	2.9
341.15939	5.3
351.14362	15.6
352.14175	0.6
369.15552	11.5
369.19772	1.1
369.24374	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1539
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	2.8
55.01855	1.7
55.05497	1.8
57.03422	2.0
61.02905	1.7
65.03927	0.8
67.05486	3.6
69.03074	0.9
69.03415	11.1
69.07040	1.4
70.06586	3.7
71.04984	8.9
71.63342	1.2
72.08142	0.8
73.02908	0.8
79.05482	7.2
81.03406	26.4
81.07039	5.9
83.04960	0.8
84.08121	2.8
85.02895	6.0
85.06552	0.7
86.09694	2.7
91.03954	1.2
91.04898	1.1
91.05458	14.8
93.07028	6.8
95.04961	4.2
95.08581	2.3
97.02889	4.7
97.06510	1.0
99.04438	21.6
101.02398	1.2
103.05444	1.7
105.07011	100.0
106.07365	2.1
107.04915	3.5
107.08572	5.7
109.02115	1.1
109.02859	19.3
109.06517	6.6
109.10130	3.8
110.07199	0.8
111.04439	0.7
111.08097	1.4
112.98052	0.8
115.05393	0.8
117.05531	1.1
117.07017	2.2
119.04953	3.8
119.08578	7.7
120.08100	2.5
121.06486	3.5
121.08424	0.8
121.10124	2.3
123.08060	2.6
123.11699	1.2
127.03910	4.2
128.06209	3.1
129.06975	0.9
129.10255	1.4
130.07755	0.8
131.04921	1.0
131.08548	3.6
133.06476	10.4
133.10106	67.7
134.10426	2.0
135.04390	4.8
135.08051	0.8
135.11589	1.4
137.05984	3.1
137.09679	1.4
143.08546	8.2
145.02835	2.7
145.04955	2.7
145.06470	1.4
145.10112	7.8
146.07249	3.9
147.04315	1.3
147.08012	2.2
147.11597	1.0
149.05969	1.1
151.07524	7.5
151.11096	1.0
159.11639	1.2
161.09590	77.9
162.09955	2.3
163.11150	19.9
165.05443	0.8
165.09050	1.4
165.12634	1.1
171.08047	2.5
177.05450	2.7
179.10641	17.2
180.11096	1.1
181.12154	1.0
189.09076	34.4
189.12756	2.2
190.09470	1.2
207.10112	21.1
207.12029	1.1
207.13719	1.2
208.05144	0.8
213.07555	4.0
225.11189	2.8
231.08551	0.8
243.08463	3.6
261.09677	2.1
265.08948	0.9
305.13596	1.0
313.12787	1.1
315.08667	1.9
320.85016	0.7
323.09204	1.1
323.14880	2.8
333.13354	2.1
339.12561	0.9
341.15857	4.5
351.14383	16.0
351.18292	1.6
352.14661	1.1
369.15558	11.3
369.19681	1.0
370.15433	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2629
Annotation	Cortol
Peak:m/z	Relative Intensity
55.01861	5.0
55.05500	30.8
57.03419	7.1
57.07056	7.7
58.76301	3.0
65.83025	3.1
67.05492	90.0
68.42198	3.6
69.03431	5.4
69.07057	23.7
70.60842	3.7
70.75771	4.1
70.76102	6.4
71.08617	46.2
78.68913	3.0
79.05472	48.4
81.03400	7.4
81.07043	73.4
83.04951	13.3
83.08609	14.8
85.06513	6.2
85.79462	3.7
86.09728	3.7
91.05466	36.2
93.06465	4.4
93.07031	74.4
95.04968	17.6
95.08588	51.4
97.06501	11.9
97.10145	15.2
99.08065	28.4
105.07014	38.9
105.17529	4.1
107.04947	12.7
107.08583	51.0
109.06503	9.7
109.10123	35.9
111.08062	5.2
117.07016	8.4
119.08568	25.7
121.06483	14.3
121.10114	34.8
123.08073	4.0
123.11726	7.5
123.44346	3.5
125.09595	9.9
131.08546	10.6
133.10136	21.6
135.11671	47.2
137.09599	4.1
139.11168	3.7
141.09061	4.9
143.08543	8.7
145.06480	4.3
145.10106	9.4
147.11673	13.6
149.09592	4.7
149.13211	15.2
151.11212	19.9
153.26880	3.6
157.10104	5.7
159.11693	10.2
161.13229	11.4
163.11165	7.1
163.14809	5.7
165.12691	24.8
171.11707	4.7
173.13191	5.8
175.14784	6.6
177.12729	7.2
179.14291	85.2
185.13289	6.6
189.11208	11.0
189.12708	5.5
195.13795	4.3
199.14711	4.9
221.15366	3.9
227.12756	7.6
235.16902	4.8
241.19452	6.6
259.20578	14.3
277.21561	75.9
289.21579	12.8
307.22620	16.9
333.24161	6.8
351.21100	7.0
351.25250	100.0
352.25519	6.0
369.24475	15.6
END